----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:59:03]------------------------- Compiled with OpenMP support (max 32 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.556476679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189004509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.273628120000000 Atomic positions (fractional): *1 F 0.54576912935862 0.17023301609728 0.93651430725114 18.998 2 F 0.95423087064138 0.82976698390272 0.93651430725114 18.998 3 F 0.95423087064138 0.67023301609728 0.56348569274886 18.998 4 F 0.54576912935862 0.32976698390272 0.56348569274886 18.998 5 F 0.45423087064138 0.82976698390272 0.06348569274886 18.998 6 F 0.04576912935863 0.17023301609728 0.06348569274886 18.998 7 F 0.04576912935863 0.32976698390272 0.43651430725114 18.998 8 F 0.45423087064138 0.67023301609728 0.43651430725114 18.998 *9 F 0.09311859692934 0.75000000000000 0.25000000000000 18.998 10 F 0.40688140307066 0.25000000000000 0.25000000000000 18.998 11 F 0.90688140307066 0.25000000000000 0.75000000000000 18.998 12 F 0.59311859692934 0.75000000000000 0.75000000000000 18.998 *13 F 0.23681877211830 0.82033651797587 0.91941299759202 18.998 14 F 0.26318122788170 0.17966348202413 0.91941299759202 18.998 15 F 0.26318122788170 0.32033651797587 0.58058700240798 18.998 16 F 0.23681877211830 0.67966348202413 0.58058700240798 18.998 17 F 0.76318122788170 0.17966348202413 0.08058700240798 18.998 18 F 0.73681877211830 0.82033651797587 0.08058700240798 18.998 19 F 0.73681877211830 0.67966348202413 0.41941299759202 18.998 20 F 0.76318122788170 0.32033651797587 0.41941299759202 18.998 *21 F 0.11263281898384 0.05818298034434 0.61346918852308 18.998 22 F 0.38736718101616 0.94181701965566 0.61346918852308 18.998 23 F 0.38736718101616 0.55818298034434 0.88653081147692 18.998 24 F 0.11263281898384 0.44181701965566 0.88653081147692 18.998 25 F 0.88736718101616 0.94181701965566 0.38653081147691 18.998 26 F 0.61263281898384 0.05818298034434 0.38653081147691 18.998 27 F 0.61263281898384 0.44181701965566 0.11346918852308 18.998 28 F 0.88736718101616 0.55818298034434 0.11346918852308 18.998 *29 K 0.25000000000000 0.00000000000000 0.26692903181611 39.098 30 K 0.75000000000000 0.00000000000000 0.73307096818389 39.098 31 K 0.25000000000000 0.50000000000000 0.23307096818389 39.098 32 K 0.75000000000000 0.50000000000000 0.76692903181611 39.098 *33 Zr 0.09306554184447 0.25000000000000 0.75000000000000 91.224 34 Zr 0.59306554184447 0.25000000000000 0.25000000000000 91.224 35 Zr 0.90693445815553 0.75000000000000 0.25000000000000 91.224 36 Zr 0.40693445815553 0.75000000000000 0.75000000000000 91.224 *37 Pd 0.09129961190034 0.75000000000000 0.75000000000000 106.420 38 Pd 0.90870038809966 0.25000000000000 0.25000000000000 106.420 39 Pd 0.59129961190034 0.75000000000000 0.25000000000000 106.420 40 Pd 0.40870038809966 0.25000000000000 0.75000000000000 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.556476679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189004509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.273628120000000 Atomic positions (fractional): *1 F 0.54576912935862 0.17023301609728 0.93651430725114 18.998 > 1 2 F 0.95423087064138 0.82976698390272 0.93651430725114 18.998 > 2 3 F 0.95423087064138 0.67023301609728 0.56348569274886 18.998 > 3 4 F 0.54576912935862 0.32976698390272 0.56348569274886 18.998 > 4 5 F 0.45423087064138 0.82976698390272 0.06348569274886 18.998 > 5 6 F 0.04576912935863 0.17023301609728 0.06348569274886 18.998 > 6 7 F 0.04576912935863 0.32976698390272 0.43651430725114 18.998 > 7 8 F 0.45423087064138 0.67023301609728 0.43651430725114 18.998 > 8 *9 F 0.09311859692934 0.75000000000000 0.25000000000000 18.998 > 9 10 F 0.40688140307066 0.25000000000000 0.25000000000000 18.998 > 10 11 F 0.90688140307066 0.25000000000000 0.75000000000000 18.998 > 11 12 F 0.59311859692934 0.75000000000000 0.75000000000000 18.998 > 12 *13 F 0.23681877211830 0.82033651797587 0.91941299759202 18.998 > 13 14 F 0.26318122788170 0.17966348202413 0.91941299759202 18.998 > 14 15 F 0.26318122788170 0.32033651797587 0.58058700240798 18.998 > 15 16 F 0.23681877211830 0.67966348202413 0.58058700240798 18.998 > 16 17 F 0.76318122788170 0.17966348202413 0.08058700240798 18.998 > 17 18 F 0.73681877211830 0.82033651797587 0.08058700240798 18.998 > 18 19 F 0.73681877211830 0.67966348202413 0.41941299759202 18.998 > 19 20 F 0.76318122788170 0.32033651797587 0.41941299759202 18.998 > 20 *21 F 0.11263281898384 0.05818298034434 0.61346918852308 18.998 > 21 22 F 0.38736718101616 0.94181701965566 0.61346918852308 18.998 > 22 23 F 0.38736718101616 0.55818298034434 0.88653081147692 18.998 > 23 24 F 0.11263281898384 0.44181701965566 0.88653081147692 18.998 > 24 25 F 0.88736718101616 0.94181701965566 0.38653081147691 18.998 > 25 26 F 0.61263281898384 0.05818298034434 0.38653081147691 18.998 > 26 27 F 0.61263281898384 0.44181701965566 0.11346918852308 18.998 > 27 28 F 0.88736718101616 0.55818298034434 0.11346918852308 18.998 > 28 *29 K 0.25000000000000 0.00000000000000 0.26692903181611 39.098 > 29 30 K 0.75000000000000 0.00000000000000 0.73307096818389 39.098 > 30 31 K 0.25000000000000 0.50000000000000 0.23307096818389 39.098 > 31 32 K 0.75000000000000 0.50000000000000 0.76692903181611 39.098 > 32 *33 Zr 0.09306554184447 0.25000000000000 0.75000000000000 91.224 > 33 34 Zr 0.59306554184447 0.25000000000000 0.25000000000000 91.224 > 34 35 Zr 0.90693445815553 0.75000000000000 0.25000000000000 91.224 > 35 36 Zr 0.40693445815553 0.75000000000000 0.75000000000000 91.224 > 36 *37 Pd 0.09129961190034 0.75000000000000 0.75000000000000 106.420 > 37 38 Pd 0.90870038809966 0.25000000000000 0.25000000000000 106.420 > 38 39 Pd 0.59129961190034 0.75000000000000 0.25000000000000 106.420 > 39 40 Pd 0.40870038809966 0.25000000000000 0.75000000000000 106.420 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.556476679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189004509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.547256239999999 Atomic positions (fractional): *1 F 0.54576912935862 0.17023301609728 0.46825715362557 18.998 > 1 2 F 0.54576912935862 0.17023301609728 0.96825715362557 18.998 > 1 3 F 0.95423087064138 0.82976698390272 0.46825715362557 18.998 > 2 4 F 0.95423087064138 0.82976698390272 0.96825715362557 18.998 > 2 5 F 0.95423087064138 0.67023301609728 0.28174284637443 18.998 > 3 6 F 0.95423087064138 0.67023301609728 0.78174284637443 18.998 > 3 7 F 0.54576912935862 0.32976698390272 0.28174284637443 18.998 > 4 8 F 0.54576912935862 0.32976698390272 0.78174284637443 18.998 > 4 9 F 0.45423087064138 0.82976698390272 0.03174284637443 18.998 > 5 10 F 0.45423087064138 0.82976698390272 0.53174284637443 18.998 > 5 11 F 0.04576912935863 0.17023301609728 0.03174284637443 18.998 > 6 12 F 0.04576912935863 0.17023301609728 0.53174284637443 18.998 > 6 13 F 0.04576912935863 0.32976698390272 0.21825715362557 18.998 > 7 14 F 0.04576912935863 0.32976698390272 0.71825715362557 18.998 > 7 15 F 0.45423087064138 0.67023301609728 0.21825715362557 18.998 > 8 16 F 0.45423087064138 0.67023301609728 0.71825715362557 18.998 > 8 *17 F 0.09311859692934 0.75000000000000 0.12500000000000 18.998 > 9 18 F 0.09311859692934 0.75000000000000 0.62500000000000 18.998 > 9 19 F 0.40688140307066 0.25000000000000 0.12500000000000 18.998 > 10 20 F 0.40688140307066 0.25000000000000 0.62500000000000 18.998 > 10 21 F 0.90688140307066 0.25000000000000 0.37500000000000 18.998 > 11 22 F 0.90688140307066 0.25000000000000 0.87500000000000 18.998 > 11 23 F 0.59311859692934 0.75000000000000 0.37500000000000 18.998 > 12 24 F 0.59311859692934 0.75000000000000 0.87500000000000 18.998 > 12 *25 F 0.23681877211830 0.82033651797587 0.45970649879601 18.998 > 13 26 F 0.23681877211830 0.82033651797587 0.95970649879601 18.998 > 13 27 F 0.26318122788170 0.17966348202413 0.45970649879601 18.998 > 14 28 F 0.26318122788170 0.17966348202413 0.95970649879601 18.998 > 14 29 F 0.26318122788170 0.32033651797587 0.29029350120399 18.998 > 15 30 F 0.26318122788170 0.32033651797587 0.79029350120399 18.998 > 15 31 F 0.23681877211830 0.67966348202413 0.29029350120399 18.998 > 16 32 F 0.23681877211830 0.67966348202413 0.79029350120399 18.998 > 16 33 F 0.76318122788170 0.17966348202413 0.04029350120399 18.998 > 17 34 F 0.76318122788170 0.17966348202413 0.54029350120399 18.998 > 17 35 F 0.73681877211830 0.82033651797587 0.04029350120399 18.998 > 18 36 F 0.73681877211830 0.82033651797587 0.54029350120399 18.998 > 18 37 F 0.73681877211830 0.67966348202413 0.20970649879601 18.998 > 19 38 F 0.73681877211830 0.67966348202413 0.70970649879601 18.998 > 19 39 F 0.76318122788170 0.32033651797587 0.20970649879601 18.998 > 20 40 F 0.76318122788170 0.32033651797587 0.70970649879601 18.998 > 20 *41 F 0.11263281898384 0.05818298034434 0.30673459426154 18.998 > 21 42 F 0.11263281898384 0.05818298034434 0.80673459426154 18.998 > 21 43 F 0.38736718101616 0.94181701965566 0.30673459426154 18.998 > 22 44 F 0.38736718101616 0.94181701965566 0.80673459426154 18.998 > 22 45 F 0.38736718101616 0.55818298034434 0.44326540573846 18.998 > 23 46 F 0.38736718101616 0.55818298034434 0.94326540573846 18.998 > 23 47 F 0.11263281898384 0.44181701965566 0.44326540573846 18.998 > 24 48 F 0.11263281898384 0.44181701965566 0.94326540573846 18.998 > 24 49 F 0.88736718101616 0.94181701965566 0.19326540573846 18.998 > 25 50 F 0.88736718101616 0.94181701965566 0.69326540573846 18.998 > 25 51 F 0.61263281898384 0.05818298034434 0.19326540573846 18.998 > 26 52 F 0.61263281898384 0.05818298034434 0.69326540573846 18.998 > 26 53 F 0.61263281898384 0.44181701965566 0.05673459426154 18.998 > 27 54 F 0.61263281898384 0.44181701965566 0.55673459426154 18.998 > 27 55 F 0.88736718101616 0.55818298034434 0.05673459426154 18.998 > 28 56 F 0.88736718101616 0.55818298034434 0.55673459426154 18.998 > 28 *57 K 0.25000000000000 0.00000000000000 0.13346451590805 39.098 > 29 58 K 0.25000000000000 0.00000000000000 0.63346451590805 39.098 > 29 59 K 0.75000000000000 0.00000000000000 0.36653548409195 39.098 > 30 60 K 0.75000000000000 0.00000000000000 0.86653548409195 39.098 > 30 61 K 0.25000000000000 0.50000000000000 0.11653548409195 39.098 > 31 62 K 0.25000000000000 0.50000000000000 0.61653548409195 39.098 > 31 63 K 0.75000000000000 0.50000000000000 0.38346451590805 39.098 > 32 64 K 0.75000000000000 0.50000000000000 0.88346451590805 39.098 > 32 *65 Zr 0.09306554184447 0.25000000000000 0.37500000000000 91.224 > 33 66 Zr 0.09306554184447 0.25000000000000 0.87500000000000 91.224 > 33 67 Zr 0.59306554184447 0.25000000000000 0.12500000000000 91.224 > 34 68 Zr 0.59306554184447 0.25000000000000 0.62500000000000 91.224 > 34 69 Zr 0.90693445815553 0.75000000000000 0.12500000000000 91.224 > 35 70 Zr 0.90693445815553 0.75000000000000 0.62500000000000 91.224 > 35 71 Zr 0.40693445815553 0.75000000000000 0.37500000000000 91.224 > 36 72 Zr 0.40693445815553 0.75000000000000 0.87500000000000 91.224 > 36 *73 Pd 0.09129961190034 0.75000000000000 0.37500000000000 106.420 > 37 74 Pd 0.09129961190034 0.75000000000000 0.87500000000000 106.420 > 37 75 Pd 0.90870038809966 0.25000000000000 0.12500000000000 106.420 > 38 76 Pd 0.90870038809966 0.25000000000000 0.62500000000000 106.420 > 38 77 Pd 0.59129961190034 0.75000000000000 0.12500000000000 106.420 > 39 78 Pd 0.59129961190034 0.75000000000000 0.62500000000000 106.420 > 39 79 Pd 0.40870038809966 0.25000000000000 0.37500000000000 106.420 > 40 80 Pd 0.40870038809966 0.25000000000000 0.87500000000000 106.420 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1155490 0.0000000 0.0000000 0.0000000 2.3433237 0.0000000 0.0000000 0.0000000 2.6933273 -------------------------- Born effective charges -------------------------- 1 F -1.0976009 0.1622021 -0.8911870 0.1264196 -0.5570007 -0.0338228 -0.7111405 -0.0876969 -1.6817486 2 F -1.0976009 0.1622021 0.8911870 0.1264196 -0.5570007 0.0338228 0.7111405 0.0876969 -1.6817486 3 F -1.0976009 -0.1622021 -0.8911870 -0.1264196 -0.5570007 0.0338228 -0.7111405 0.0876969 -1.6817486 4 F -1.0976009 -0.1622021 0.8911870 -0.1264196 -0.5570007 -0.0338228 0.7111405 -0.0876969 -1.6817486 5 F -1.0976009 0.1622021 -0.8911870 0.1264196 -0.5570007 -0.0338228 -0.7111405 -0.0876969 -1.6817486 6 F -1.0976009 0.1622021 0.8911870 0.1264196 -0.5570007 0.0338228 0.7111405 0.0876969 -1.6817486 7 F -1.0976009 -0.1622021 -0.8911870 -0.1264196 -0.5570007 0.0338228 -0.7111405 0.0876969 -1.6817486 8 F -1.0976009 -0.1622021 0.8911870 -0.1264196 -0.5570007 -0.0338228 0.7111405 -0.0876969 -1.6817486 9 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 -0.0196390 0.0000000 -0.0059554 -0.8439280 10 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 0.0196390 0.0000000 0.0059554 -0.8439280 11 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 -0.0196390 0.0000000 -0.0059554 -0.8439280 12 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 0.0196390 0.0000000 0.0059554 -0.8439280 13 F -1.8074834 -0.0464270 -0.0303152 -0.0645402 -0.5350007 -0.1575608 -0.1862079 -0.2126519 -0.7197783 14 F -1.8074834 -0.0464270 0.0303152 -0.0645402 -0.5350007 0.1575608 0.1862079 0.2126519 -0.7197783 15 F -1.8074834 0.0464270 -0.0303152 0.0645402 -0.5350007 0.1575608 -0.1862079 0.2126519 -0.7197783 16 F -1.8074834 0.0464270 0.0303152 0.0645402 -0.5350007 -0.1575608 0.1862079 -0.2126519 -0.7197783 17 F -1.8074834 -0.0464270 -0.0303152 -0.0645402 -0.5350007 -0.1575608 -0.1862079 -0.2126519 -0.7197783 18 F -1.8074834 -0.0464270 0.0303152 -0.0645402 -0.5350007 0.1575608 0.1862079 0.2126519 -0.7197783 19 F -1.8074834 0.0464270 -0.0303152 0.0645402 -0.5350007 0.1575608 -0.1862079 0.2126519 -0.7197783 20 F -1.8074834 0.0464270 0.0303152 0.0645402 -0.5350007 -0.1575608 0.1862079 -0.2126519 -0.7197783 21 F -0.7278620 0.1125904 0.0523524 0.1546189 -1.8037429 -0.5020970 0.0781154 -0.3937122 -0.9641053 22 F -0.7278620 0.1125904 -0.0523524 0.1546189 -1.8037429 0.5020970 -0.0781154 0.3937122 -0.9641053 23 F -0.7278620 -0.1125904 0.0523524 -0.1546189 -1.8037429 0.5020970 0.0781154 0.3937122 -0.9641053 24 F -0.7278620 -0.1125904 -0.0523524 -0.1546189 -1.8037429 -0.5020970 -0.0781154 -0.3937122 -0.9641053 25 F -0.7278620 0.1125904 0.0523524 0.1546189 -1.8037429 -0.5020970 0.0781154 -0.3937122 -0.9641053 26 F -0.7278620 0.1125904 -0.0523524 0.1546189 -1.8037429 0.5020970 -0.0781154 0.3937122 -0.9641053 27 F -0.7278620 -0.1125904 0.0523524 -0.1546189 -1.8037429 0.5020970 0.0781154 0.3937122 -0.9641053 28 F -0.7278620 -0.1125904 -0.0523524 -0.1546189 -1.8037429 -0.5020970 -0.0781154 -0.3937122 -0.9641053 29 K 1.2373365 0.1157755 0.0000000 -0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 30 K 1.2373365 0.1157755 0.0000000 -0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 31 K 1.2373365 -0.1157755 0.0000000 0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 32 K 1.2373365 -0.1157755 0.0000000 0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 33 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 0.6813328 0.0000000 0.1335484 4.5172537 34 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 -0.6813328 0.0000000 -0.1335484 4.5172537 35 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 0.6813328 0.0000000 0.1335484 4.5172537 36 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 -0.6813328 0.0000000 -0.1335484 4.5172537 37 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 0.3453426 0.0000000 0.6007941 1.6738071 38 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 0.3453426 0.0000000 0.6007941 1.6738071 39 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 -0.3453426 0.0000000 -0.6007941 1.6738071 40 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 -0.3453426 0.0000000 -0.6007941 1.6738071 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1901 Number of blocks in projector: 1901 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 241 Use standard eigh solver. Tree of FC basis block matrices: - (1901, 1854), data: False |-- (241, 234), data: True |-- (241, 234), data: True |-- (241, 234), data: True |-- (378, 372), data: True |-- (386, 378), data: True |-- (414, 402), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.405 Solver_block: 200 / 640 - Time: 0.327 Solver_block: 300 / 640 - Time: 0.322 Solver_block: 400 / 640 - Time: 0.322 Solver_block: 500 / 640 - Time: 0.323 Solver_block: 600 / 640 - Time: 0.323 Solver_block: 640 / 640 - Time: 0.150 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.211 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1901 Number of blocks in projector: 1901 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 414 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 241 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 241 Use standard eigh solver. Tree of FC basis block matrices: - (1901, 1854), data: False |-- (241, 234), data: True |-- (241, 234), data: True |-- (241, 234), data: True |-- (378, 372), data: True |-- (386, 378), data: True |-- (414, 402), 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 00:59:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:59:28]------------------------- Compiled with OpenMP support (max 32 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.556476679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189004509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.273628120000000 Atomic positions (fractional): 1 F 0.54576912935862 0.17023301609728 0.93651430725114 18.998 2 F 0.95423087064138 0.82976698390272 0.93651430725114 18.998 3 F 0.95423087064138 0.67023301609728 0.56348569274886 18.998 4 F 0.54576912935862 0.32976698390272 0.56348569274886 18.998 5 F 0.45423087064138 0.82976698390272 0.06348569274886 18.998 6 F 0.04576912935863 0.17023301609728 0.06348569274886 18.998 7 F 0.04576912935863 0.32976698390272 0.43651430725114 18.998 8 F 0.45423087064138 0.67023301609728 0.43651430725114 18.998 9 F 0.09311859692934 0.75000000000000 0.25000000000000 18.998 10 F 0.40688140307066 0.25000000000000 0.25000000000000 18.998 11 F 0.90688140307066 0.25000000000000 0.75000000000000 18.998 12 F 0.59311859692934 0.75000000000000 0.75000000000000 18.998 13 F 0.23681877211830 0.82033651797587 0.91941299759202 18.998 14 F 0.26318122788170 0.17966348202413 0.91941299759202 18.998 15 F 0.26318122788170 0.32033651797587 0.58058700240798 18.998 16 F 0.23681877211830 0.67966348202413 0.58058700240798 18.998 17 F 0.76318122788170 0.17966348202413 0.08058700240798 18.998 18 F 0.73681877211830 0.82033651797587 0.08058700240798 18.998 19 F 0.73681877211830 0.67966348202413 0.41941299759202 18.998 20 F 0.76318122788170 0.32033651797587 0.41941299759202 18.998 21 F 0.11263281898384 0.05818298034434 0.61346918852308 18.998 22 F 0.38736718101616 0.94181701965566 0.61346918852308 18.998 23 F 0.38736718101616 0.55818298034434 0.88653081147692 18.998 24 F 0.11263281898384 0.44181701965566 0.88653081147692 18.998 25 F 0.88736718101616 0.94181701965566 0.38653081147691 18.998 26 F 0.61263281898384 0.05818298034434 0.38653081147691 18.998 27 F 0.61263281898384 0.44181701965566 0.11346918852308 18.998 28 F 0.88736718101616 0.55818298034434 0.11346918852308 18.998 29 K 0.25000000000000 0.00000000000000 0.26692903181611 39.098 30 K 0.75000000000000 0.00000000000000 0.73307096818389 39.098 31 K 0.25000000000000 0.50000000000000 0.23307096818389 39.098 32 K 0.75000000000000 0.50000000000000 0.76692903181611 39.098 33 Zr 0.09306554184447 0.25000000000000 0.75000000000000 91.224 34 Zr 0.59306554184447 0.25000000000000 0.25000000000000 91.224 35 Zr 0.90693445815553 0.75000000000000 0.25000000000000 91.224 36 Zr 0.40693445815553 0.75000000000000 0.75000000000000 91.224 37 Pd 0.09129961190034 0.75000000000000 0.75000000000000 106.420 38 Pd 0.90870038809966 0.25000000000000 0.25000000000000 106.420 39 Pd 0.59129961190034 0.75000000000000 0.25000000000000 106.420 40 Pd 0.40870038809966 0.25000000000000 0.75000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.556476679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189004509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.547256239999999 Atomic positions (fractional): 1 F 0.54576912935862 0.17023301609728 0.46825715362557 18.998 > 1 2 F 0.54576912935862 0.17023301609728 0.96825715362557 18.998 > 1 3 F 0.95423087064138 0.82976698390272 0.46825715362557 18.998 > 3 4 F 0.95423087064138 0.82976698390272 0.96825715362557 18.998 > 3 5 F 0.95423087064138 0.67023301609728 0.28174284637443 18.998 > 5 6 F 0.95423087064138 0.67023301609728 0.78174284637443 18.998 > 5 7 F 0.54576912935862 0.32976698390272 0.28174284637443 18.998 > 7 8 F 0.54576912935862 0.32976698390272 0.78174284637443 18.998 > 7 9 F 0.45423087064138 0.82976698390272 0.03174284637443 18.998 > 9 10 F 0.45423087064138 0.82976698390272 0.53174284637443 18.998 > 9 11 F 0.04576912935863 0.17023301609728 0.03174284637443 18.998 > 11 12 F 0.04576912935863 0.17023301609728 0.53174284637443 18.998 > 11 13 F 0.04576912935863 0.32976698390272 0.21825715362557 18.998 > 13 14 F 0.04576912935863 0.32976698390272 0.71825715362557 18.998 > 13 15 F 0.45423087064138 0.67023301609728 0.21825715362557 18.998 > 15 16 F 0.45423087064138 0.67023301609728 0.71825715362557 18.998 > 15 17 F 0.09311859692934 0.75000000000000 0.12500000000000 18.998 > 17 18 F 0.09311859692934 0.75000000000000 0.62500000000000 18.998 > 17 19 F 0.40688140307066 0.25000000000000 0.12500000000000 18.998 > 19 20 F 0.40688140307066 0.25000000000000 0.62500000000000 18.998 > 19 21 F 0.90688140307066 0.25000000000000 0.37500000000000 18.998 > 21 22 F 0.90688140307066 0.25000000000000 0.87500000000000 18.998 > 21 23 F 0.59311859692934 0.75000000000000 0.37500000000000 18.998 > 23 24 F 0.59311859692934 0.75000000000000 0.87500000000000 18.998 > 23 25 F 0.23681877211830 0.82033651797587 0.45970649879601 18.998 > 25 26 F 0.23681877211830 0.82033651797587 0.95970649879601 18.998 > 25 27 F 0.26318122788170 0.17966348202413 0.45970649879601 18.998 > 27 28 F 0.26318122788170 0.17966348202413 0.95970649879601 18.998 > 27 29 F 0.26318122788170 0.32033651797587 0.29029350120399 18.998 > 29 30 F 0.26318122788170 0.32033651797587 0.79029350120399 18.998 > 29 31 F 0.23681877211830 0.67966348202413 0.29029350120399 18.998 > 31 32 F 0.23681877211830 0.67966348202413 0.79029350120399 18.998 > 31 33 F 0.76318122788170 0.17966348202413 0.04029350120399 18.998 > 33 34 F 0.76318122788170 0.17966348202413 0.54029350120399 18.998 > 33 35 F 0.73681877211830 0.82033651797587 0.04029350120399 18.998 > 35 36 F 0.73681877211830 0.82033651797587 0.54029350120399 18.998 > 35 37 F 0.73681877211830 0.67966348202413 0.20970649879601 18.998 > 37 38 F 0.73681877211830 0.67966348202413 0.70970649879601 18.998 > 37 39 F 0.76318122788170 0.32033651797587 0.20970649879601 18.998 > 39 40 F 0.76318122788170 0.32033651797587 0.70970649879601 18.998 > 39 41 F 0.11263281898384 0.05818298034434 0.30673459426154 18.998 > 41 42 F 0.11263281898384 0.05818298034434 0.80673459426154 18.998 > 41 43 F 0.38736718101616 0.94181701965566 0.30673459426154 18.998 > 43 44 F 0.38736718101616 0.94181701965566 0.80673459426154 18.998 > 43 45 F 0.38736718101616 0.55818298034434 0.44326540573846 18.998 > 45 46 F 0.38736718101616 0.55818298034434 0.94326540573846 18.998 > 45 47 F 0.11263281898384 0.44181701965566 0.44326540573846 18.998 > 47 48 F 0.11263281898384 0.44181701965566 0.94326540573846 18.998 > 47 49 F 0.88736718101616 0.94181701965566 0.19326540573846 18.998 > 49 50 F 0.88736718101616 0.94181701965566 0.69326540573846 18.998 > 49 51 F 0.61263281898384 0.05818298034434 0.19326540573846 18.998 > 51 52 F 0.61263281898384 0.05818298034434 0.69326540573846 18.998 > 51 53 F 0.61263281898384 0.44181701965566 0.05673459426154 18.998 > 53 54 F 0.61263281898384 0.44181701965566 0.55673459426154 18.998 > 53 55 F 0.88736718101616 0.55818298034434 0.05673459426154 18.998 > 55 56 F 0.88736718101616 0.55818298034434 0.55673459426154 18.998 > 55 57 K 0.25000000000000 0.00000000000000 0.13346451590805 39.098 > 57 58 K 0.25000000000000 0.00000000000000 0.63346451590805 39.098 > 57 59 K 0.75000000000000 0.00000000000000 0.36653548409195 39.098 > 59 60 K 0.75000000000000 0.00000000000000 0.86653548409195 39.098 > 59 61 K 0.25000000000000 0.50000000000000 0.11653548409195 39.098 > 61 62 K 0.25000000000000 0.50000000000000 0.61653548409195 39.098 > 61 63 K 0.75000000000000 0.50000000000000 0.38346451590805 39.098 > 63 64 K 0.75000000000000 0.50000000000000 0.88346451590805 39.098 > 63 65 Zr 0.09306554184447 0.25000000000000 0.37500000000000 91.224 > 65 66 Zr 0.09306554184447 0.25000000000000 0.87500000000000 91.224 > 65 67 Zr 0.59306554184447 0.25000000000000 0.12500000000000 91.224 > 67 68 Zr 0.59306554184447 0.25000000000000 0.62500000000000 91.224 > 67 69 Zr 0.90693445815553 0.75000000000000 0.12500000000000 91.224 > 69 70 Zr 0.90693445815553 0.75000000000000 0.62500000000000 91.224 > 69 71 Zr 0.40693445815553 0.75000000000000 0.37500000000000 91.224 > 71 72 Zr 0.40693445815553 0.75000000000000 0.87500000000000 91.224 > 71 73 Pd 0.09129961190034 0.75000000000000 0.37500000000000 106.420 > 73 74 Pd 0.09129961190034 0.75000000000000 0.87500000000000 106.420 > 73 75 Pd 0.90870038809966 0.25000000000000 0.12500000000000 106.420 > 75 76 Pd 0.90870038809966 0.25000000000000 0.62500000000000 106.420 > 75 77 Pd 0.59129961190034 0.75000000000000 0.12500000000000 106.420 > 77 78 Pd 0.59129961190034 0.75000000000000 0.62500000000000 106.420 > 77 79 Pd 0.40870038809966 0.25000000000000 0.37500000000000 106.420 > 79 80 Pd 0.40870038809966 0.25000000000000 0.87500000000000 106.420 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1155490 0.0000000 0.0000000 0.0000000 2.3433237 0.0000000 0.0000000 0.0000000 2.6933273 -------------------------- Born effective charges -------------------------- 1 F -1.0976009 0.1622021 -0.8911870 0.1264196 -0.5570007 -0.0338228 -0.7111405 -0.0876969 -1.6817486 2 F -1.0976009 0.1622021 0.8911870 0.1264196 -0.5570007 0.0338228 0.7111405 0.0876969 -1.6817486 3 F -1.0976009 -0.1622021 -0.8911870 -0.1264196 -0.5570007 0.0338228 -0.7111405 0.0876969 -1.6817486 4 F -1.0976009 -0.1622021 0.8911870 -0.1264196 -0.5570007 -0.0338228 0.7111405 -0.0876969 -1.6817486 5 F -1.0976009 0.1622021 -0.8911870 0.1264196 -0.5570007 -0.0338228 -0.7111405 -0.0876969 -1.6817486 6 F -1.0976009 0.1622021 0.8911870 0.1264196 -0.5570007 0.0338228 0.7111405 0.0876969 -1.6817486 7 F -1.0976009 -0.1622021 -0.8911870 -0.1264196 -0.5570007 0.0338228 -0.7111405 0.0876969 -1.6817486 8 F -1.0976009 -0.1622021 0.8911870 -0.1264196 -0.5570007 -0.0338228 0.7111405 -0.0876969 -1.6817486 9 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 -0.0196390 0.0000000 -0.0059554 -0.8439280 10 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 0.0196390 0.0000000 0.0059554 -0.8439280 11 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 -0.0196390 0.0000000 -0.0059554 -0.8439280 12 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 0.0196390 0.0000000 0.0059554 -0.8439280 13 F -1.8074834 -0.0464270 -0.0303152 -0.0645402 -0.5350007 -0.1575608 -0.1862079 -0.2126519 -0.7197783 14 F -1.8074834 -0.0464270 0.0303152 -0.0645402 -0.5350007 0.1575608 0.1862079 0.2126519 -0.7197783 15 F -1.8074834 0.0464270 -0.0303152 0.0645402 -0.5350007 0.1575608 -0.1862079 0.2126519 -0.7197783 16 F -1.8074834 0.0464270 0.0303152 0.0645402 -0.5350007 -0.1575608 0.1862079 -0.2126519 -0.7197783 17 F -1.8074834 -0.0464270 -0.0303152 -0.0645402 -0.5350007 -0.1575608 -0.1862079 -0.2126519 -0.7197783 18 F -1.8074834 -0.0464270 0.0303152 -0.0645402 -0.5350007 0.1575608 0.1862079 0.2126519 -0.7197783 19 F -1.8074834 0.0464270 -0.0303152 0.0645402 -0.5350007 0.1575608 -0.1862079 0.2126519 -0.7197783 20 F -1.8074834 0.0464270 0.0303152 0.0645402 -0.5350007 -0.1575608 0.1862079 -0.2126519 -0.7197783 21 F -0.7278620 0.1125904 0.0523524 0.1546189 -1.8037429 -0.5020970 0.0781154 -0.3937122 -0.9641053 22 F -0.7278620 0.1125904 -0.0523524 0.1546189 -1.8037429 0.5020970 -0.0781154 0.3937122 -0.9641053 23 F -0.7278620 -0.1125904 0.0523524 -0.1546189 -1.8037429 0.5020970 0.0781154 0.3937122 -0.9641053 24 F -0.7278620 -0.1125904 -0.0523524 -0.1546189 -1.8037429 -0.5020970 -0.0781154 -0.3937122 -0.9641053 25 F -0.7278620 0.1125904 0.0523524 0.1546189 -1.8037429 -0.5020970 0.0781154 -0.3937122 -0.9641053 26 F -0.7278620 0.1125904 -0.0523524 0.1546189 -1.8037429 0.5020970 -0.0781154 0.3937122 -0.9641053 27 F -0.7278620 -0.1125904 0.0523524 -0.1546189 -1.8037429 0.5020970 0.0781154 0.3937122 -0.9641053 28 F -0.7278620 -0.1125904 -0.0523524 -0.1546189 -1.8037429 -0.5020970 -0.0781154 -0.3937122 -0.9641053 29 K 1.2373365 0.1157755 0.0000000 -0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 30 K 1.2373365 0.1157755 0.0000000 -0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 31 K 1.2373365 -0.1157755 0.0000000 0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 32 K 1.2373365 -0.1157755 0.0000000 0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 33 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 0.6813328 0.0000000 0.1335484 4.5172537 34 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 -0.6813328 0.0000000 -0.1335484 4.5172537 35 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 0.6813328 0.0000000 0.1335484 4.5172537 36 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 -0.6813328 0.0000000 -0.1335484 4.5172537 37 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 0.3453426 0.0000000 0.6007941 1.6738071 38 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 0.3453426 0.0000000 0.6007941 1.6738071 39 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 -0.3453426 0.0000000 -0.6007941 1.6738071 40 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 -0.3453426 0.0000000 -0.6007941 1.6738071 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 00:59:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:59:48]------------------------- Compiled with OpenMP support (max 32 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.556476679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189004509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 6.273628120000000 Atomic positions (fractional): 1 F 0.54576912935862 0.17023301609728 0.93651430725114 18.998 2 F 0.95423087064138 0.82976698390272 0.93651430725114 18.998 3 F 0.95423087064138 0.67023301609728 0.56348569274886 18.998 4 F 0.54576912935862 0.32976698390272 0.56348569274886 18.998 5 F 0.45423087064138 0.82976698390272 0.06348569274886 18.998 6 F 0.04576912935863 0.17023301609728 0.06348569274886 18.998 7 F 0.04576912935863 0.32976698390272 0.43651430725114 18.998 8 F 0.45423087064138 0.67023301609728 0.43651430725114 18.998 9 F 0.09311859692934 0.75000000000000 0.25000000000000 18.998 10 F 0.40688140307066 0.25000000000000 0.25000000000000 18.998 11 F 0.90688140307066 0.25000000000000 0.75000000000000 18.998 12 F 0.59311859692934 0.75000000000000 0.75000000000000 18.998 13 F 0.23681877211830 0.82033651797587 0.91941299759202 18.998 14 F 0.26318122788170 0.17966348202413 0.91941299759202 18.998 15 F 0.26318122788170 0.32033651797587 0.58058700240798 18.998 16 F 0.23681877211830 0.67966348202413 0.58058700240798 18.998 17 F 0.76318122788170 0.17966348202413 0.08058700240798 18.998 18 F 0.73681877211830 0.82033651797587 0.08058700240798 18.998 19 F 0.73681877211830 0.67966348202413 0.41941299759202 18.998 20 F 0.76318122788170 0.32033651797587 0.41941299759202 18.998 21 F 0.11263281898384 0.05818298034434 0.61346918852308 18.998 22 F 0.38736718101616 0.94181701965566 0.61346918852308 18.998 23 F 0.38736718101616 0.55818298034434 0.88653081147692 18.998 24 F 0.11263281898384 0.44181701965566 0.88653081147692 18.998 25 F 0.88736718101616 0.94181701965566 0.38653081147691 18.998 26 F 0.61263281898384 0.05818298034434 0.38653081147691 18.998 27 F 0.61263281898384 0.44181701965566 0.11346918852308 18.998 28 F 0.88736718101616 0.55818298034434 0.11346918852308 18.998 29 K 0.25000000000000 0.00000000000000 0.26692903181611 39.098 30 K 0.75000000000000 0.00000000000000 0.73307096818389 39.098 31 K 0.25000000000000 0.50000000000000 0.23307096818389 39.098 32 K 0.75000000000000 0.50000000000000 0.76692903181611 39.098 33 Zr 0.09306554184447 0.25000000000000 0.75000000000000 91.224 34 Zr 0.59306554184447 0.25000000000000 0.25000000000000 91.224 35 Zr 0.90693445815553 0.75000000000000 0.25000000000000 91.224 36 Zr 0.40693445815553 0.75000000000000 0.75000000000000 91.224 37 Pd 0.09129961190034 0.75000000000000 0.75000000000000 106.420 38 Pd 0.90870038809966 0.25000000000000 0.25000000000000 106.420 39 Pd 0.59129961190034 0.75000000000000 0.25000000000000 106.420 40 Pd 0.40870038809966 0.25000000000000 0.75000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.556476679999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.189004509999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.547256239999999 Atomic positions (fractional): 1 F 0.54576912935862 0.17023301609728 0.46825715362557 18.998 > 1 2 F 0.54576912935862 0.17023301609728 0.96825715362557 18.998 > 1 3 F 0.95423087064138 0.82976698390272 0.46825715362557 18.998 > 3 4 F 0.95423087064138 0.82976698390272 0.96825715362557 18.998 > 3 5 F 0.95423087064138 0.67023301609728 0.28174284637443 18.998 > 5 6 F 0.95423087064138 0.67023301609728 0.78174284637443 18.998 > 5 7 F 0.54576912935862 0.32976698390272 0.28174284637443 18.998 > 7 8 F 0.54576912935862 0.32976698390272 0.78174284637443 18.998 > 7 9 F 0.45423087064138 0.82976698390272 0.03174284637443 18.998 > 9 10 F 0.45423087064138 0.82976698390272 0.53174284637443 18.998 > 9 11 F 0.04576912935863 0.17023301609728 0.03174284637443 18.998 > 11 12 F 0.04576912935863 0.17023301609728 0.53174284637443 18.998 > 11 13 F 0.04576912935863 0.32976698390272 0.21825715362557 18.998 > 13 14 F 0.04576912935863 0.32976698390272 0.71825715362557 18.998 > 13 15 F 0.45423087064138 0.67023301609728 0.21825715362557 18.998 > 15 16 F 0.45423087064138 0.67023301609728 0.71825715362557 18.998 > 15 17 F 0.09311859692934 0.75000000000000 0.12500000000000 18.998 > 17 18 F 0.09311859692934 0.75000000000000 0.62500000000000 18.998 > 17 19 F 0.40688140307066 0.25000000000000 0.12500000000000 18.998 > 19 20 F 0.40688140307066 0.25000000000000 0.62500000000000 18.998 > 19 21 F 0.90688140307066 0.25000000000000 0.37500000000000 18.998 > 21 22 F 0.90688140307066 0.25000000000000 0.87500000000000 18.998 > 21 23 F 0.59311859692934 0.75000000000000 0.37500000000000 18.998 > 23 24 F 0.59311859692934 0.75000000000000 0.87500000000000 18.998 > 23 25 F 0.23681877211830 0.82033651797587 0.45970649879601 18.998 > 25 26 F 0.23681877211830 0.82033651797587 0.95970649879601 18.998 > 25 27 F 0.26318122788170 0.17966348202413 0.45970649879601 18.998 > 27 28 F 0.26318122788170 0.17966348202413 0.95970649879601 18.998 > 27 29 F 0.26318122788170 0.32033651797587 0.29029350120399 18.998 > 29 30 F 0.26318122788170 0.32033651797587 0.79029350120399 18.998 > 29 31 F 0.23681877211830 0.67966348202413 0.29029350120399 18.998 > 31 32 F 0.23681877211830 0.67966348202413 0.79029350120399 18.998 > 31 33 F 0.76318122788170 0.17966348202413 0.04029350120399 18.998 > 33 34 F 0.76318122788170 0.17966348202413 0.54029350120399 18.998 > 33 35 F 0.73681877211830 0.82033651797587 0.04029350120399 18.998 > 35 36 F 0.73681877211830 0.82033651797587 0.54029350120399 18.998 > 35 37 F 0.73681877211830 0.67966348202413 0.20970649879601 18.998 > 37 38 F 0.73681877211830 0.67966348202413 0.70970649879601 18.998 > 37 39 F 0.76318122788170 0.32033651797587 0.20970649879601 18.998 > 39 40 F 0.76318122788170 0.32033651797587 0.70970649879601 18.998 > 39 41 F 0.11263281898384 0.05818298034434 0.30673459426154 18.998 > 41 42 F 0.11263281898384 0.05818298034434 0.80673459426154 18.998 > 41 43 F 0.38736718101616 0.94181701965566 0.30673459426154 18.998 > 43 44 F 0.38736718101616 0.94181701965566 0.80673459426154 18.998 > 43 45 F 0.38736718101616 0.55818298034434 0.44326540573846 18.998 > 45 46 F 0.38736718101616 0.55818298034434 0.94326540573846 18.998 > 45 47 F 0.11263281898384 0.44181701965566 0.44326540573846 18.998 > 47 48 F 0.11263281898384 0.44181701965566 0.94326540573846 18.998 > 47 49 F 0.88736718101616 0.94181701965566 0.19326540573846 18.998 > 49 50 F 0.88736718101616 0.94181701965566 0.69326540573846 18.998 > 49 51 F 0.61263281898384 0.05818298034434 0.19326540573846 18.998 > 51 52 F 0.61263281898384 0.05818298034434 0.69326540573846 18.998 > 51 53 F 0.61263281898384 0.44181701965566 0.05673459426154 18.998 > 53 54 F 0.61263281898384 0.44181701965566 0.55673459426154 18.998 > 53 55 F 0.88736718101616 0.55818298034434 0.05673459426154 18.998 > 55 56 F 0.88736718101616 0.55818298034434 0.55673459426154 18.998 > 55 57 K 0.25000000000000 0.00000000000000 0.13346451590805 39.098 > 57 58 K 0.25000000000000 0.00000000000000 0.63346451590805 39.098 > 57 59 K 0.75000000000000 0.00000000000000 0.36653548409195 39.098 > 59 60 K 0.75000000000000 0.00000000000000 0.86653548409195 39.098 > 59 61 K 0.25000000000000 0.50000000000000 0.11653548409195 39.098 > 61 62 K 0.25000000000000 0.50000000000000 0.61653548409195 39.098 > 61 63 K 0.75000000000000 0.50000000000000 0.38346451590805 39.098 > 63 64 K 0.75000000000000 0.50000000000000 0.88346451590805 39.098 > 63 65 Zr 0.09306554184447 0.25000000000000 0.37500000000000 91.224 > 65 66 Zr 0.09306554184447 0.25000000000000 0.87500000000000 91.224 > 65 67 Zr 0.59306554184447 0.25000000000000 0.12500000000000 91.224 > 67 68 Zr 0.59306554184447 0.25000000000000 0.62500000000000 91.224 > 67 69 Zr 0.90693445815553 0.75000000000000 0.12500000000000 91.224 > 69 70 Zr 0.90693445815553 0.75000000000000 0.62500000000000 91.224 > 69 71 Zr 0.40693445815553 0.75000000000000 0.37500000000000 91.224 > 71 72 Zr 0.40693445815553 0.75000000000000 0.87500000000000 91.224 > 71 73 Pd 0.09129961190034 0.75000000000000 0.37500000000000 106.420 > 73 74 Pd 0.09129961190034 0.75000000000000 0.87500000000000 106.420 > 73 75 Pd 0.90870038809966 0.25000000000000 0.12500000000000 106.420 > 75 76 Pd 0.90870038809966 0.25000000000000 0.62500000000000 106.420 > 75 77 Pd 0.59129961190034 0.75000000000000 0.12500000000000 106.420 > 77 78 Pd 0.59129961190034 0.75000000000000 0.62500000000000 106.420 > 77 79 Pd 0.40870038809966 0.25000000000000 0.37500000000000 106.420 > 79 80 Pd 0.40870038809966 0.25000000000000 0.87500000000000 106.420 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1155490 0.0000000 0.0000000 0.0000000 2.3433237 0.0000000 0.0000000 0.0000000 2.6933273 -------------------------- Born effective charges -------------------------- 1 F -1.0976009 0.1622021 -0.8911870 0.1264196 -0.5570007 -0.0338228 -0.7111405 -0.0876969 -1.6817486 2 F -1.0976009 0.1622021 0.8911870 0.1264196 -0.5570007 0.0338228 0.7111405 0.0876969 -1.6817486 3 F -1.0976009 -0.1622021 -0.8911870 -0.1264196 -0.5570007 0.0338228 -0.7111405 0.0876969 -1.6817486 4 F -1.0976009 -0.1622021 0.8911870 -0.1264196 -0.5570007 -0.0338228 0.7111405 -0.0876969 -1.6817486 5 F -1.0976009 0.1622021 -0.8911870 0.1264196 -0.5570007 -0.0338228 -0.7111405 -0.0876969 -1.6817486 6 F -1.0976009 0.1622021 0.8911870 0.1264196 -0.5570007 0.0338228 0.7111405 0.0876969 -1.6817486 7 F -1.0976009 -0.1622021 -0.8911870 -0.1264196 -0.5570007 0.0338228 -0.7111405 0.0876969 -1.6817486 8 F -1.0976009 -0.1622021 0.8911870 -0.1264196 -0.5570007 -0.0338228 0.7111405 -0.0876969 -1.6817486 9 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 -0.0196390 0.0000000 -0.0059554 -0.8439280 10 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 0.0196390 0.0000000 0.0059554 -0.8439280 11 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 -0.0196390 0.0000000 -0.0059554 -0.8439280 12 F -1.7652434 0.0000000 0.0000000 0.0000000 -0.6283434 0.0196390 0.0000000 0.0059554 -0.8439280 13 F -1.8074834 -0.0464270 -0.0303152 -0.0645402 -0.5350007 -0.1575608 -0.1862079 -0.2126519 -0.7197783 14 F -1.8074834 -0.0464270 0.0303152 -0.0645402 -0.5350007 0.1575608 0.1862079 0.2126519 -0.7197783 15 F -1.8074834 0.0464270 -0.0303152 0.0645402 -0.5350007 0.1575608 -0.1862079 0.2126519 -0.7197783 16 F -1.8074834 0.0464270 0.0303152 0.0645402 -0.5350007 -0.1575608 0.1862079 -0.2126519 -0.7197783 17 F -1.8074834 -0.0464270 -0.0303152 -0.0645402 -0.5350007 -0.1575608 -0.1862079 -0.2126519 -0.7197783 18 F -1.8074834 -0.0464270 0.0303152 -0.0645402 -0.5350007 0.1575608 0.1862079 0.2126519 -0.7197783 19 F -1.8074834 0.0464270 -0.0303152 0.0645402 -0.5350007 0.1575608 -0.1862079 0.2126519 -0.7197783 20 F -1.8074834 0.0464270 0.0303152 0.0645402 -0.5350007 -0.1575608 0.1862079 -0.2126519 -0.7197783 21 F -0.7278620 0.1125904 0.0523524 0.1546189 -1.8037429 -0.5020970 0.0781154 -0.3937122 -0.9641053 22 F -0.7278620 0.1125904 -0.0523524 0.1546189 -1.8037429 0.5020970 -0.0781154 0.3937122 -0.9641053 23 F -0.7278620 -0.1125904 0.0523524 -0.1546189 -1.8037429 0.5020970 0.0781154 0.3937122 -0.9641053 24 F -0.7278620 -0.1125904 -0.0523524 -0.1546189 -1.8037429 -0.5020970 -0.0781154 -0.3937122 -0.9641053 25 F -0.7278620 0.1125904 0.0523524 0.1546189 -1.8037429 -0.5020970 0.0781154 -0.3937122 -0.9641053 26 F -0.7278620 0.1125904 -0.0523524 0.1546189 -1.8037429 0.5020970 -0.0781154 0.3937122 -0.9641053 27 F -0.7278620 -0.1125904 0.0523524 -0.1546189 -1.8037429 0.5020970 0.0781154 0.3937122 -0.9641053 28 F -0.7278620 -0.1125904 -0.0523524 -0.1546189 -1.8037429 -0.5020970 -0.0781154 -0.3937122 -0.9641053 29 K 1.2373365 0.1157755 0.0000000 -0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 30 K 1.2373365 0.1157755 0.0000000 -0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 31 K 1.2373365 -0.1157755 0.0000000 0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 32 K 1.2373365 -0.1157755 0.0000000 0.0435097 1.2461296 0.0000000 0.0000000 0.0000000 1.3841317 33 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 0.6813328 0.0000000 0.1335484 4.5172537 34 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 -0.6813328 0.0000000 -0.1335484 4.5172537 35 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 0.6813328 0.0000000 0.1335484 4.5172537 36 Zr 5.1423209 0.0000000 0.0000000 0.0000000 4.1202002 -0.6813328 0.0000000 -0.1335484 4.5172537 37 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 0.3453426 0.0000000 0.6007941 1.6738071 38 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 0.3453426 0.0000000 0.6007941 1.6738071 39 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 -0.3453426 0.0000000 -0.6007941 1.6738071 40 Pd 2.6514786 0.0000000 0.0000000 0.0000000 1.0535022 -0.3453426 0.0000000 -0.6007941 1.6738071 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (zzz) -0.00000007 (zzz) -0.00000007 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.577 ( 0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.188 ( 0.000 0.000 0.000) 0.000 1.316 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.748 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.245 ( 0.000 0.000 0.000) 0.000 4.398 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.936 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.450 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.741 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.288 ( 0.000 0.000 0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.729 ( 0.000 0.000 0.000) 0.000 9.779 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 10.113 ( 0.000 0.000 0.000) 0.000 10.682 ( 0.000 0.000 0.000) 0.000 10.705 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 11.596 ( 0.000 0.000 0.000) 0.000 11.639 ( 0.000 0.000 0.000) 0.000 11.689 ( 0.000 0.000 0.000) 0.000 11.690 ( 0.000 0.000 0.000) 0.000 11.995 ( 0.000 0.000 0.000) 0.000 12.414 ( 0.000 0.000 0.000) 0.000 13.208 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.993 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 0.000 0.000) 0.000 14.002 ( 0.000 0.000 0.000) 0.000 14.174 ( 0.000 0.000 0.000) 0.000 14.308 ( 0.000 0.000 0.000) 0.000 14.404 ( 0.000 0.000 0.000) 0.000 15.496 ( 0.000 0.000 0.000) 0.000 15.562 ( 0.000 0.000 0.000) 0.000 15.653 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 15.723 ( 0.000 0.000 0.000) 0.000 15.928 ( 0.000 0.000 0.000) 0.000 15.969 ( 0.000 0.000 0.000) 0.000 16.155 ( 0.000 0.000 0.000) 0.000 16.241 ( 0.000 0.000 0.000) 0.000 16.352 ( 0.000 0.000 0.000) 0.000 16.537 ( 0.000 0.000 0.000) 0.000 16.593 ( 0.000 0.000 0.000) 0.000 16.963 ( 0.000 0.000 0.000) 0.000 17.380 ( 0.000 0.000 0.000) 0.000 17.403 ( 0.000 0.000 0.000) 0.000 17.463 ( 0.000 0.000 0.000) 0.000 17.877 ( 0.000 0.000 0.000) 0.000 18.229 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( 13.408 0.000 0.000) 13.408 0.508 ( 25.545 0.000 0.000) 25.545 0.776 ( 17.259 0.000 0.000) 17.259 0.814 ( 42.397 0.000 0.000) 42.397 1.005 ( 1.045 0.000 0.000) 1.045 1.095 ( -11.643 0.000 0.000) 11.643 1.373 ( -9.256 0.000 0.000) 9.256 1.401 ( 20.386 0.000 0.000) 20.386 1.503 ( -1.219 0.000 0.000) 1.219 1.609 ( 7.314 0.000 0.000) 7.314 1.636 ( -1.758 0.000 0.000) 1.758 1.742 ( -0.878 0.000 0.000) 0.878 1.859 ( 7.043 0.000 0.000) 7.043 2.075 ( 6.252 0.000 0.000) 6.252 2.163 ( -12.496 0.000 0.000) 12.496 2.260 ( 0.827 0.000 0.000) 0.827 2.323 ( -4.497 0.000 0.000) 4.497 2.403 ( 2.460 0.000 0.000) 2.460 2.647 ( -12.847 0.000 0.000) 12.847 2.648 ( -2.542 0.000 0.000) 2.542 2.657 ( 7.316 0.000 0.000) 7.316 2.823 ( -5.489 0.000 0.000) 5.489 2.944 ( 1.307 0.000 0.000) 1.307 3.065 ( -24.766 0.000 0.000) 24.766 3.099 ( 3.862 0.000 0.000) 3.862 3.255 ( -2.920 0.000 0.000) 2.920 3.267 ( 12.253 0.000 0.000) 12.253 3.326 ( 0.149 0.000 0.000) 0.149 3.419 ( -5.314 0.000 0.000) 5.314 3.597 ( -3.026 0.000 0.000) 3.026 3.656 ( 0.878 0.000 0.000) 0.878 3.695 ( -3.858 0.000 0.000) 3.858 3.842 ( -3.140 0.000 0.000) 3.140 3.866 ( -2.338 0.000 0.000) 2.338 3.924 ( 2.100 0.000 0.000) 2.100 3.984 ( -0.319 0.000 0.000) 0.319 4.112 ( 0.606 0.000 0.000) 0.606 4.167 ( -3.220 0.000 0.000) 3.220 4.242 ( 2.525 0.000 0.000) 2.525 4.274 ( 0.588 0.000 0.000) 0.588 4.404 ( 1.044 0.000 0.000) 1.044 4.434 ( 3.659 0.000 0.000) 3.659 4.496 ( 1.049 0.000 0.000) 1.049 4.555 ( -1.605 0.000 0.000) 1.605 4.591 ( 0.282 0.000 0.000) 0.282 4.750 ( 4.055 0.000 0.000) 4.055 4.866 ( 2.424 0.000 0.000) 2.424 4.940 ( 0.286 0.000 0.000) 0.286 5.035 ( -7.056 0.000 0.000) 7.056 5.093 ( -2.188 0.000 0.000) 2.188 5.126 ( -1.822 0.000 0.000) 1.822 5.163 ( -2.820 0.000 0.000) 2.820 5.277 ( -1.864 0.000 0.000) 1.864 5.330 ( -4.430 0.000 0.000) 4.430 5.543 ( -8.710 0.000 0.000) 8.710 5.749 ( -11.738 0.000 0.000) 11.738 5.828 ( 8.556 0.000 0.000) 8.556 5.915 ( 2.465 0.000 0.000) 2.465 5.941 ( 1.162 0.000 0.000) 1.162 6.157 ( 9.096 0.000 0.000) 9.096 6.383 ( -4.953 0.000 0.000) 4.953 6.387 ( 0.655 0.000 0.000) 0.655 6.430 ( 6.314 0.000 0.000) 6.314 6.448 ( 5.106 0.000 0.000) 5.106 6.588 ( 9.024 0.000 0.000) 9.024 6.762 ( 0.511 0.000 0.000) 0.511 6.827 ( 8.578 0.000 0.000) 8.578 7.026 ( 0.270 0.000 0.000) 0.270 7.074 ( 0.719 0.000 0.000) 0.719 7.079 ( 1.535 0.000 0.000) 1.535 7.204 ( 7.048 0.000 0.000) 7.048 7.234 ( -2.680 0.000 0.000) 2.680 7.384 ( -0.436 0.000 0.000) 0.436 7.462 ( -1.553 0.000 0.000) 1.553 7.775 ( -16.252 0.000 0.000) 16.252 8.114 ( -18.278 0.000 0.000) 18.278 9.395 ( 12.232 0.000 0.000) 12.232 9.470 ( 2.546 0.000 0.000) 2.546 9.504 ( 16.838 0.000 0.000) 16.838 9.557 ( 2.306 0.000 0.000) 2.306 9.699 ( -3.020 0.000 0.000) 3.020 9.755 ( -2.404 0.000 0.000) 2.404 9.884 ( 0.966 0.000 0.000) 0.966 10.129 ( 0.816 0.000 0.000) 0.816 10.651 ( -2.871 0.000 0.000) 2.871 10.687 ( -1.959 0.000 0.000) 1.959 10.712 ( -7.555 0.000 0.000) 7.555 10.722 ( -7.435 0.000 0.000) 7.435 11.727 ( 3.749 0.000 0.000) 3.749 11.744 ( 14.124 0.000 0.000) 14.124 11.783 ( 13.908 0.000 0.000) 13.908 11.972 ( -2.360 0.000 0.000) 2.360 12.433 ( 1.895 0.000 0.000) 1.895 12.538 ( -0.750 0.000 0.000) 0.750 12.965 ( -21.256 0.000 0.000) 21.256 13.000 ( -21.015 0.000 0.000) 21.015 13.981 ( -1.530 0.000 0.000) 1.530 13.987 ( -0.670 0.000 0.000) 0.670 14.211 ( 3.621 0.000 0.000) 3.621 14.523 ( 18.886 0.000 0.000) 18.886 14.589 ( -6.381 0.000 0.000) 6.381 14.635 ( 20.026 0.000 0.000) 20.026 15.482 ( -8.339 0.000 0.000) 8.339 15.539 ( 3.947 0.000 0.000) 3.947 15.640 ( -8.648 0.000 0.000) 8.648 15.693 ( -0.456 0.000 0.000) 0.456 15.851 ( 0.196 0.000 0.000) 0.196 15.925 ( -0.478 0.000 0.000) 0.478 15.999 ( 3.074 0.000 0.000) 3.074 16.200 ( 4.070 0.000 0.000) 4.070 16.349 ( -0.458 0.000 0.000) 0.458 16.376 ( -9.249 0.000 0.000) 9.249 16.770 ( 10.848 0.000 0.000) 10.848 16.972 ( 0.892 0.000 0.000) 0.892 17.029 ( -0.913 0.000 0.000) 0.913 17.323 ( -5.781 0.000 0.000) 5.781 17.503 ( 4.006 0.000 0.000) 4.006 17.836 ( -4.232 0.000 0.000) 4.232 18.094 ( 0.821 0.000 0.000) 0.821 18.210 ( -1.909 0.000 0.000) 1.909 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 15.166 0.000 0.000) 15.166 0.785 ( -10.289 0.000 0.000) 10.289 0.955 ( 9.810 0.000 0.000) 9.810 1.022 ( 0.296 0.000 0.000) 0.296 1.144 ( 16.370 0.000 0.000) 16.370 1.322 ( 8.601 0.000 0.000) 8.601 1.462 ( -13.406 0.000 0.000) 13.406 1.538 ( -0.945 0.000 0.000) 0.945 1.586 ( 38.252 0.000 0.000) 38.252 1.616 ( -10.419 0.000 0.000) 10.419 1.635 ( -3.118 0.000 0.000) 3.118 1.880 ( 28.690 0.000 0.000) 28.690 1.949 ( 0.337 0.000 0.000) 0.337 1.973 ( -4.979 0.000 0.000) 4.979 2.194 ( 8.444 0.000 0.000) 8.444 2.213 ( -26.318 0.000 0.000) 26.318 2.287 ( -0.926 0.000 0.000) 0.926 2.387 ( 9.416 0.000 0.000) 9.416 2.421 ( -21.070 0.000 0.000) 21.070 2.557 ( -7.519 0.000 0.000) 7.519 2.626 ( -5.605 0.000 0.000) 5.605 2.705 ( -6.586 0.000 0.000) 6.586 2.809 ( 7.966 0.000 0.000) 7.966 2.925 ( -3.454 0.000 0.000) 3.454 3.192 ( -2.484 0.000 0.000) 2.484 3.202 ( 6.540 0.000 0.000) 6.540 3.224 ( -6.371 0.000 0.000) 6.371 3.323 ( -5.614 0.000 0.000) 5.614 3.500 ( 6.860 0.000 0.000) 6.860 3.540 ( -2.004 0.000 0.000) 2.004 3.677 ( 7.428 0.000 0.000) 7.428 3.789 ( 3.058 0.000 0.000) 3.058 3.793 ( -1.251 0.000 0.000) 1.251 3.847 ( 7.536 0.000 0.000) 7.536 3.916 ( -6.752 0.000 0.000) 6.752 3.973 ( -0.758 0.000 0.000) 0.758 3.989 ( -7.341 0.000 0.000) 7.341 4.055 ( -9.413 0.000 0.000) 9.413 4.276 ( 0.397 0.000 0.000) 0.397 4.277 ( 0.806 0.000 0.000) 0.806 4.436 ( 2.375 0.000 0.000) 2.375 4.499 ( -3.816 0.000 0.000) 3.816 4.542 ( 3.268 0.000 0.000) 3.268 4.545 ( 8.032 0.000 0.000) 8.032 4.588 ( -1.169 0.000 0.000) 1.169 4.718 ( -8.698 0.000 0.000) 8.698 4.919 ( 1.503 0.000 0.000) 1.503 4.939 ( -0.487 0.000 0.000) 0.487 5.054 ( 11.959 0.000 0.000) 11.959 5.070 ( 0.054 0.000 0.000) 0.054 5.090 ( -1.761 0.000 0.000) 1.761 5.240 ( -1.372 0.000 0.000) 1.372 5.241 ( 10.321 0.000 0.000) 10.321 5.250 ( -2.850 0.000 0.000) 2.850 5.321 ( -14.016 0.000 0.000) 14.016 5.490 ( -14.529 0.000 0.000) 14.529 5.947 ( 1.753 0.000 0.000) 1.753 5.958 ( 0.352 0.000 0.000) 0.352 6.039 ( 11.448 0.000 0.000) 11.448 6.246 ( -9.524 0.000 0.000) 9.524 6.312 ( 6.190 0.000 0.000) 6.190 6.382 ( -1.549 0.000 0.000) 1.549 6.526 ( 2.898 0.000 0.000) 2.898 6.528 ( 2.555 0.000 0.000) 2.555 6.743 ( 4.851 0.000 0.000) 4.851 6.772 ( 0.295 0.000 0.000) 0.295 7.030 ( 11.692 0.000 0.000) 11.692 7.075 ( 4.298 0.000 0.000) 4.298 7.110 ( 1.072 0.000 0.000) 1.072 7.144 ( 6.613 0.000 0.000) 6.613 7.164 ( -4.536 0.000 0.000) 4.536 7.328 ( 5.741 0.000 0.000) 5.741 7.416 ( -3.472 0.000 0.000) 3.472 7.417 ( -19.612 0.000 0.000) 19.612 7.435 ( 8.638 0.000 0.000) 8.638 7.731 ( -20.157 0.000 0.000) 20.157 9.536 ( 4.294 0.000 0.000) 4.294 9.618 ( 3.853 0.000 0.000) 3.853 9.624 ( -4.617 0.000 0.000) 4.617 9.656 ( 13.514 0.000 0.000) 13.514 9.694 ( -3.905 0.000 0.000) 3.905 9.837 ( 16.743 0.000 0.000) 16.743 9.850 ( -5.883 0.000 0.000) 5.883 10.082 ( -7.662 0.000 0.000) 7.662 10.587 ( -3.609 0.000 0.000) 3.609 10.591 ( -2.827 0.000 0.000) 2.827 10.620 ( -1.952 0.000 0.000) 1.952 10.638 ( -2.681 0.000 0.000) 2.681 11.815 ( 5.154 0.000 0.000) 5.154 11.908 ( -4.322 0.000 0.000) 4.322 12.085 ( 21.074 0.000 0.000) 21.074 12.121 ( 21.045 0.000 0.000) 21.045 12.476 ( 2.373 0.000 0.000) 2.373 12.516 ( -1.665 0.000 0.000) 1.665 12.519 ( -24.180 0.000 0.000) 24.180 12.556 ( -24.191 0.000 0.000) 24.191 13.962 ( -0.279 0.000 0.000) 0.279 13.970 ( -0.927 0.000 0.000) 0.927 14.305 ( 6.328 0.000 0.000) 6.328 14.445 ( -8.057 0.000 0.000) 8.057 14.909 ( 20.230 0.000 0.000) 20.230 15.041 ( 21.232 0.000 0.000) 21.232 15.253 ( -15.550 0.000 0.000) 15.550 15.402 ( -16.212 0.000 0.000) 16.212 15.618 ( 3.854 0.000 0.000) 3.854 15.673 ( -1.882 0.000 0.000) 1.882 15.870 ( 1.772 0.000 0.000) 1.772 15.905 ( -1.580 0.000 0.000) 1.580 16.083 ( 5.756 0.000 0.000) 5.756 16.213 ( -7.843 0.000 0.000) 7.843 16.279 ( 3.656 0.000 0.000) 3.656 16.330 ( -1.722 0.000 0.000) 1.722 16.978 ( 10.911 0.000 0.000) 10.911 16.991 ( 1.050 0.000 0.000) 1.050 17.010 ( -0.975 0.000 0.000) 0.975 17.174 ( -9.510 0.000 0.000) 9.510 17.604 ( 6.325 0.000 0.000) 6.325 17.730 ( -6.546 0.000 0.000) 6.546 18.119 ( 1.933 0.000 0.000) 1.933 18.164 ( -2.627 0.000 0.000) 2.627 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 0.000 12.755 0.000) 12.755 0.379 ( 0.000 16.854 0.000) 16.854 0.523 ( 0.000 22.471 0.000) 22.471 0.725 ( 0.000 11.318 0.000) 11.318 0.955 ( 0.000 -4.899 0.000) 4.899 1.256 ( 0.000 5.950 0.000) 5.950 1.269 ( 0.000 -3.957 0.000) 3.957 1.402 ( 0.000 3.670 0.000) 3.670 1.503 ( 0.000 -5.108 0.000) 5.108 1.606 ( 0.000 1.730 0.000) 1.730 1.684 ( 0.000 -5.702 0.000) 5.702 1.694 ( 0.000 -3.618 0.000) 3.618 1.742 ( 0.000 6.314 0.000) 6.314 1.955 ( 0.000 -2.694 0.000) 2.694 2.124 ( 0.000 -8.464 0.000) 8.464 2.330 ( 0.000 -4.847 0.000) 4.847 2.345 ( 0.000 1.609 0.000) 1.609 2.535 ( 0.000 8.616 0.000) 8.616 2.586 ( 0.000 -6.561 0.000) 6.561 2.598 ( 0.000 2.258 0.000) 2.258 2.767 ( 0.000 -0.354 0.000) 0.354 2.777 ( 0.000 0.324 0.000) 0.324 2.858 ( 0.000 -2.334 0.000) 2.334 3.066 ( 0.000 1.370 0.000) 1.370 3.139 ( 0.000 0.277 0.000) 0.277 3.140 ( 0.000 -8.679 0.000) 8.679 3.401 ( 0.000 3.109 0.000) 3.109 3.554 ( 0.000 2.549 0.000) 2.549 3.587 ( 0.000 -2.456 0.000) 2.456 3.658 ( 0.000 3.518 0.000) 3.518 3.714 ( 0.000 2.594 0.000) 2.594 3.720 ( 0.000 1.751 0.000) 1.751 3.835 ( 0.000 -3.475 0.000) 3.475 3.951 ( 0.000 6.420 0.000) 6.420 3.965 ( 0.000 -2.057 0.000) 2.057 3.987 ( 0.000 -2.760 0.000) 2.760 4.082 ( 0.000 1.731 0.000) 1.731 4.086 ( 0.000 -4.987 0.000) 4.987 4.200 ( 0.000 -0.970 0.000) 0.970 4.245 ( 0.000 -0.125 0.000) 0.125 4.329 ( 0.000 5.550 0.000) 5.550 4.388 ( 0.000 -0.818 0.000) 0.818 4.447 ( 0.000 -3.283 0.000) 3.283 4.547 ( 0.000 -1.533 0.000) 1.533 4.611 ( 0.000 1.998 0.000) 1.998 4.748 ( 0.000 2.927 0.000) 2.927 4.844 ( 0.000 0.315 0.000) 0.315 4.899 ( 0.000 -3.275 0.000) 3.275 5.115 ( 0.000 -0.665 0.000) 0.665 5.123 ( 0.000 -0.752 0.000) 0.752 5.228 ( 0.000 0.251 0.000) 0.251 5.284 ( 0.000 -0.849 0.000) 0.849 5.287 ( 0.000 0.875 0.000) 0.875 5.368 ( 0.000 -0.919 0.000) 0.919 5.636 ( 0.000 1.927 0.000) 1.927 5.734 ( 0.000 -0.155 0.000) 0.155 5.844 ( 0.000 -2.831 0.000) 2.831 5.858 ( 0.000 -2.555 0.000) 2.555 5.936 ( 0.000 -0.081 0.000) 0.081 5.944 ( 0.000 -0.548 0.000) 0.548 6.095 ( 0.000 3.981 0.000) 3.981 6.342 ( 0.000 -1.197 0.000) 1.197 6.389 ( 0.000 1.047 0.000) 1.047 6.464 ( 0.000 -0.636 0.000) 0.636 6.508 ( 0.000 3.272 0.000) 3.272 6.721 ( 0.000 -1.765 0.000) 1.765 6.792 ( 0.000 3.045 0.000) 3.045 6.934 ( 0.000 1.306 0.000) 1.306 7.036 ( 0.000 -2.428 0.000) 2.428 7.066 ( 0.000 -2.118 0.000) 2.118 7.252 ( 0.000 2.112 0.000) 2.112 7.267 ( 0.000 0.708 0.000) 0.708 7.380 ( 0.000 -1.101 0.000) 1.101 7.431 ( 0.000 -3.498 0.000) 3.498 8.009 ( 0.000 4.782 0.000) 4.782 8.295 ( 0.000 -2.104 0.000) 2.104 9.287 ( 0.000 0.220 0.000) 0.220 9.290 ( 0.000 0.147 0.000) 0.147 9.449 ( 0.000 0.331 0.000) 0.331 9.485 ( 0.000 -0.426 0.000) 0.426 9.734 ( 0.000 0.452 0.000) 0.452 9.775 ( 0.000 -0.395 0.000) 0.395 10.039 ( 0.000 0.743 0.000) 0.743 10.106 ( 0.000 -0.668 0.000) 0.668 10.684 ( 0.000 0.177 0.000) 0.177 10.703 ( 0.000 -0.227 0.000) 0.227 10.801 ( 0.000 0.062 0.000) 0.062 10.809 ( 0.000 -0.096 0.000) 0.096 11.631 ( 0.000 0.037 0.000) 0.037 11.638 ( 0.000 -0.112 0.000) 0.112 11.690 ( 0.000 0.082 0.000) 0.082 11.691 ( 0.000 0.067 0.000) 0.067 12.020 ( 0.000 2.391 0.000) 2.391 12.357 ( 0.000 -4.861 0.000) 4.861 13.216 ( 0.000 0.607 0.000) 0.607 13.236 ( 0.000 0.067 0.000) 0.067 13.995 ( 0.000 0.169 0.000) 0.169 14.002 ( 0.000 0.015 0.000) 0.015 14.003 ( 0.000 0.358 0.000) 0.358 14.145 ( 0.000 -2.437 0.000) 2.437 14.315 ( 0.000 0.670 0.000) 0.670 14.393 ( 0.000 -1.001 0.000) 1.001 15.514 ( 0.000 1.623 0.000) 1.623 15.590 ( 0.000 1.188 0.000) 1.188 15.639 ( 0.000 -1.195 0.000) 1.195 15.711 ( 0.000 1.282 0.000) 1.282 15.714 ( 0.000 -0.899 0.000) 0.899 15.896 ( 0.000 -2.867 0.000) 2.867 16.152 ( 0.000 -0.147 0.000) 0.147 16.215 ( 0.000 -2.057 0.000) 2.057 16.313 ( 0.000 -0.609 0.000) 0.609 16.551 ( 0.000 -3.626 0.000) 3.626 16.673 ( 0.000 8.903 0.000) 8.903 16.969 ( 0.000 0.179 0.000) 0.179 17.377 ( 0.000 0.665 0.000) 0.665 17.455 ( 0.000 -0.709 0.000) 0.709 17.496 ( 0.000 7.174 0.000) 7.174 17.905 ( 0.000 2.511 0.000) 2.511 18.066 ( 0.000 -5.372 0.000) 5.372 18.189 ( 0.000 -3.455 0.000) 3.455 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 6.868 16.964 0.000) 18.301 0.625 ( 19.787 9.263 0.000) 21.848 0.841 ( 30.523 3.814 0.000) 30.760 0.870 ( 12.876 7.205 0.000) 14.754 1.097 ( 11.465 5.229 0.000) 12.601 1.125 ( -8.841 2.314 0.000) 9.139 1.343 ( 11.664 -2.760 0.000) 11.986 1.374 ( -7.850 -0.190 0.000) 7.852 1.496 ( -0.300 -3.887 0.000) 3.899 1.606 ( 5.301 -0.175 0.000) 5.304 1.637 ( -2.114 -0.369 0.000) 2.146 1.774 ( 0.186 3.960 0.000) 3.965 1.814 ( 7.129 -3.818 0.000) 8.087 2.031 ( 5.747 -3.455 0.000) 6.705 2.156 ( 4.966 -5.827 0.000) 7.656 2.167 ( -10.717 -0.273 0.000) 10.721 2.336 ( -2.926 1.273 0.000) 3.191 2.521 ( 0.559 6.593 0.000) 6.616 2.578 ( -2.510 -5.604 0.000) 6.140 2.624 ( -7.235 -0.616 0.000) 7.262 2.688 ( -1.797 1.859 0.000) 2.586 2.804 ( -0.485 -1.656 0.000) 1.725 2.920 ( 6.873 -3.223 0.000) 7.591 3.098 ( -12.887 -0.009 0.000) 12.887 3.115 ( -1.150 2.872 0.000) 3.094 3.165 ( -9.603 -3.164 0.000) 10.111 3.268 ( 11.422 -0.288 0.000) 11.425 3.468 ( -5.959 1.939 0.000) 6.267 3.476 ( -7.705 9.305 0.000) 12.081 3.586 ( -3.288 -0.634 0.000) 3.349 3.607 ( -4.137 -2.097 0.000) 4.637 3.687 ( -2.659 -0.215 0.000) 2.668 3.783 ( -3.260 -3.744 0.000) 4.964 3.860 ( -4.355 -1.675 0.000) 4.666 4.000 ( 1.577 5.353 0.000) 5.580 4.002 ( 1.669 1.225 0.000) 2.071 4.117 ( -0.470 0.600 0.000) 0.763 4.170 ( -2.694 0.055 0.000) 2.694 4.195 ( 4.554 -3.891 0.000) 5.990 4.267 ( 0.611 -0.731 0.000) 0.953 4.393 ( 0.956 -0.886 0.000) 1.304 4.426 ( 5.338 0.828 0.000) 5.402 4.463 ( 1.836 -2.568 0.000) 3.157 4.550 ( -0.181 -0.897 0.000) 0.915 4.615 ( -0.279 2.134 0.000) 2.153 4.777 ( 2.921 2.010 0.000) 3.545 4.860 ( 1.274 -0.491 0.000) 1.366 4.900 ( 0.015 -3.484 0.000) 3.484 5.029 ( -6.466 -0.476 0.000) 6.484 5.076 ( -2.583 -1.317 0.000) 2.900 5.171 ( -5.263 2.880 0.000) 6.000 5.182 ( -1.997 1.513 0.000) 2.505 5.272 ( -1.258 -0.486 0.000) 1.348 5.316 ( -4.652 -1.220 0.000) 4.809 5.565 ( -8.398 1.856 0.000) 8.601 5.722 ( -10.597 -2.103 0.000) 10.804 5.822 ( 8.393 -0.373 0.000) 8.401 5.891 ( 3.033 -1.937 0.000) 3.598 5.952 ( 1.731 1.022 0.000) 2.010 6.195 ( 8.352 3.248 0.000) 8.961 6.240 ( 11.067 -10.313 0.000) 15.127 6.383 ( -0.585 0.238 0.000) 0.632 6.417 ( 6.237 -1.255 0.000) 6.362 6.423 ( 0.072 0.836 0.000) 0.840 6.616 ( 8.790 2.471 0.000) 9.131 6.798 ( 0.563 3.105 0.000) 3.155 6.812 ( 9.049 -1.424 0.000) 9.160 7.004 ( 4.337 -0.480 0.000) 4.363 7.050 ( 1.388 -2.554 0.000) 2.907 7.057 ( 0.056 -1.224 0.000) 1.226 7.242 ( -2.674 0.715 0.000) 2.768 7.256 ( 2.661 2.648 0.000) 3.754 7.374 ( -0.157 -0.890 0.000) 0.904 7.409 ( -2.589 -3.899 0.000) 4.680 7.839 ( -15.590 4.775 0.000) 16.305 8.095 ( -17.982 -1.775 0.000) 18.069 9.409 ( 12.824 1.234 0.000) 12.884 9.474 ( 2.610 0.395 0.000) 2.640 9.497 ( 16.481 -0.657 0.000) 16.494 9.530 ( 3.470 -1.414 0.000) 3.747 9.705 ( -2.952 0.503 0.000) 2.995 9.751 ( -2.450 -0.448 0.000) 2.491 9.970 ( -2.731 4.807 0.000) 5.528 10.121 ( 0.693 -0.768 0.000) 1.035 10.655 ( -2.787 0.274 0.000) 2.801 10.683 ( -2.046 -0.329 0.000) 2.073 10.715 ( -7.673 0.155 0.000) 7.675 10.721 ( -7.400 -0.033 0.000) 7.400 11.735 ( 4.993 0.768 0.000) 5.052 11.750 ( 13.505 0.532 0.000) 13.515 11.780 ( 13.802 -0.194 0.000) 13.804 11.999 ( -2.266 2.507 0.000) 3.379 12.162 ( 20.451 -20.157 0.000) 28.715 12.368 ( 0.955 -5.551 0.000) 5.633 12.973 ( -21.267 0.625 0.000) 21.276 13.002 ( -20.931 0.039 0.000) 20.931 13.986 ( -1.290 0.595 0.000) 1.421 13.991 ( -0.473 0.375 0.000) 0.604 14.168 ( 2.156 -3.526 0.000) 4.133 14.195 ( 10.609 -13.614 0.000) 17.259 14.532 ( 19.056 0.855 0.000) 19.075 14.622 ( 19.928 -1.083 0.000) 19.958 15.498 ( -7.822 1.018 0.000) 7.888 15.559 ( 2.614 1.712 0.000) 3.124 15.618 ( -7.135 -1.751 0.000) 7.347 15.709 ( -0.287 1.433 0.000) 1.462 15.712 ( 3.823 -2.096 0.000) 4.360 15.891 ( -0.597 -2.759 0.000) 2.823 16.168 ( 0.348 1.410 0.000) 1.452 16.211 ( 1.682 0.176 0.000) 1.691 16.301 ( -1.437 -0.466 0.000) 1.511 16.440 ( -6.918 1.033 0.000) 6.995 16.807 ( 9.455 3.906 0.000) 10.230 16.989 ( 2.151 1.020 0.000) 2.381 17.225 ( -10.428 8.122 0.000) 13.217 17.374 ( -6.616 2.857 0.000) 7.207 17.538 ( 3.967 4.196 0.000) 5.774 17.864 ( -4.181 2.579 0.000) 4.912 18.041 ( -0.468 -4.865 0.000) 4.887 18.167 ( -2.255 -3.747 0.000) 4.373 ======================= Grid point 7 (6/45) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 10.160 12.370 0.000) 16.007 0.867 ( -6.977 6.688 0.000) 9.665 1.013 ( 8.925 4.824 0.000) 10.145 1.081 ( 0.801 4.996 0.000) 5.060 1.161 ( 13.258 1.110 0.000) 13.304 1.335 ( 6.594 0.491 0.000) 6.613 1.419 ( -7.555 -4.044 0.000) 8.569 1.486 ( -2.064 -4.380 0.000) 4.842 1.539 ( 13.197 -0.708 0.000) 13.216 1.625 ( -2.172 -0.312 0.000) 2.194 1.698 ( 12.466 0.333 0.000) 12.470 1.864 ( 17.743 3.314 0.000) 18.050 1.887 ( -1.222 -4.830 0.000) 4.982 2.036 ( 1.892 3.779 0.000) 4.226 2.156 ( 5.176 -1.357 0.000) 5.351 2.265 ( -11.771 1.559 0.000) 11.874 2.304 ( -1.169 1.194 0.000) 1.671 2.308 ( -4.548 -2.552 0.000) 5.215 2.486 ( -7.036 -5.162 0.000) 8.726 2.489 ( -20.609 -0.568 0.000) 20.616 2.612 ( 6.928 3.009 0.000) 7.553 2.753 ( -5.880 2.354 0.000) 6.334 2.916 ( 2.623 8.156 0.000) 8.568 2.987 ( -2.173 5.102 0.000) 5.545 3.061 ( 0.562 -6.405 0.000) 6.430 3.100 ( -2.838 -6.674 0.000) 7.253 3.359 ( -2.876 6.343 0.000) 6.965 3.382 ( -3.321 2.715 0.000) 4.290 3.453 ( 2.940 -4.180 0.000) 5.111 3.493 ( -4.357 -2.790 0.000) 5.173 3.636 ( 9.129 -1.669 0.000) 9.281 3.733 ( -1.822 -4.344 0.000) 4.711 3.791 ( 2.616 -1.130 0.000) 2.850 3.807 ( 9.444 -2.772 0.000) 9.842 3.964 ( -13.707 0.643 0.000) 13.722 4.010 ( -1.137 4.215 0.000) 4.366 4.020 ( 0.224 3.522 0.000) 3.529 4.051 ( -9.374 -0.449 0.000) 9.385 4.257 ( 1.873 -1.911 0.000) 2.676 4.271 ( 0.095 -0.734 0.000) 0.740 4.429 ( 3.038 -0.390 0.000) 3.063 4.498 ( -2.237 0.047 0.000) 2.237 4.520 ( 3.439 -1.798 0.000) 3.880 4.536 ( 2.361 -0.504 0.000) 2.414 4.618 ( 1.899 2.429 0.000) 3.083 4.734 ( -7.660 1.273 0.000) 7.765 4.886 ( 0.329 -2.640 0.000) 2.660 4.894 ( -0.549 -3.743 0.000) 3.783 5.053 ( 9.900 -0.056 0.000) 9.900 5.077 ( 1.809 0.138 0.000) 1.814 5.103 ( -2.251 1.074 0.000) 2.494 5.225 ( -4.974 -1.968 0.000) 5.350 5.226 ( 4.837 0.337 0.000) 4.849 5.269 ( 4.425 0.968 0.000) 4.530 5.356 ( -11.949 2.569 0.000) 12.222 5.481 ( -13.648 -0.818 0.000) 13.673 5.944 ( 2.644 -0.099 0.000) 2.646 5.972 ( -0.121 1.373 0.000) 1.378 6.019 ( 10.923 -1.631 0.000) 11.044 6.210 ( -8.323 -3.345 0.000) 8.970 6.335 ( 5.345 2.029 0.000) 5.717 6.388 ( -0.594 0.550 0.000) 0.810 6.498 ( 3.955 -2.026 0.000) 4.444 6.511 ( 2.564 -1.431 0.000) 2.936 6.777 ( 5.427 3.001 0.000) 6.201 6.809 ( 0.355 3.221 0.000) 3.240 7.017 ( 10.535 -1.407 0.000) 10.629 7.075 ( 4.687 -0.068 0.000) 4.688 7.078 ( 1.088 -2.764 0.000) 2.970 7.108 ( 5.450 -2.242 0.000) 5.893 7.170 ( -4.772 0.539 0.000) 4.802 7.307 ( -9.617 -4.351 0.000) 10.555 7.355 ( 6.782 1.761 0.000) 7.007 7.429 ( 8.510 -0.533 0.000) 8.526 7.529 ( -13.773 4.722 0.000) 14.559 7.719 ( -19.732 -1.169 0.000) 19.767 9.542 ( 4.337 0.495 0.000) 4.365 9.603 ( 4.190 -1.064 0.000) 4.323 9.629 ( -4.530 0.488 0.000) 4.557 9.668 ( 5.431 0.371 0.000) 5.443 9.700 ( 4.743 1.188 0.000) 4.889 9.827 ( 16.550 -0.901 0.000) 16.575 9.896 ( -7.080 3.549 0.000) 7.920 10.071 ( -7.727 -0.987 0.000) 7.789 10.590 ( -3.485 0.277 0.000) 3.496 10.595 ( -2.810 0.377 0.000) 2.835 10.617 ( -2.150 -0.286 0.000) 2.169 10.634 ( -2.690 -0.432 0.000) 2.725 11.837 ( 5.681 2.115 0.000) 6.062 11.935 ( -4.400 2.599 0.000) 5.111 12.090 ( 21.127 0.485 0.000) 21.132 12.116 ( 20.594 -0.598 0.000) 20.602 12.365 ( 4.560 -11.740 0.000) 12.595 12.378 ( -0.932 -7.699 0.000) 7.755 12.527 ( -24.188 0.548 0.000) 24.195 12.564 ( -23.007 0.107 0.000) 23.007 13.970 ( -0.213 0.839 0.000) 0.866 13.977 ( -0.792 0.738 0.000) 1.083 14.221 ( 3.284 -6.363 0.000) 7.161 14.272 ( -0.982 -11.065 0.000) 11.109 14.922 ( 20.391 1.080 0.000) 20.419 15.027 ( 21.089 -1.279 0.000) 21.128 15.269 ( -15.691 1.211 0.000) 15.738 15.384 ( -15.989 -1.527 0.000) 16.062 15.639 ( 3.792 1.823 0.000) 4.208 15.692 ( -1.744 1.698 0.000) 2.434 15.799 ( 4.384 -3.020 0.000) 5.323 15.865 ( -2.425 -2.710 0.000) 3.636 16.185 ( 2.321 4.006 0.000) 4.630 16.250 ( -3.791 1.964 0.000) 4.270 16.271 ( 3.525 -0.766 0.000) 3.608 16.337 ( -3.903 0.268 0.000) 3.912 16.976 ( 7.165 2.270 0.000) 7.516 17.060 ( 6.278 3.281 0.000) 7.084 17.080 ( -5.444 5.542 0.000) 7.769 17.221 ( -9.136 3.061 0.000) 9.636 17.636 ( 6.135 3.181 0.000) 6.911 17.759 ( -6.454 2.767 0.000) 7.023 18.060 ( 2.144 -5.159 0.000) 5.587 18.113 ( -3.147 -4.487 0.000) 5.480 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 0.000 11.349 0.000) 11.349 0.717 ( 0.000 13.660 0.000) 13.660 0.763 ( 0.000 -7.197 0.000) 7.197 0.909 ( 0.000 -0.219 0.000) 0.219 1.005 ( 0.000 16.206 0.000) 16.206 1.225 ( 0.000 4.542 0.000) 4.542 1.321 ( 0.000 -11.675 0.000) 11.675 1.418 ( 0.000 -7.040 0.000) 7.040 1.419 ( 0.000 8.156 0.000) 8.156 1.580 ( 0.000 0.911 0.000) 0.911 1.583 ( 0.000 -6.522 0.000) 6.522 1.628 ( 0.000 -0.709 0.000) 0.709 1.909 ( 0.000 -0.290 0.000) 0.290 1.929 ( 0.000 10.382 0.000) 10.382 1.969 ( 0.000 -5.407 0.000) 5.407 2.163 ( 0.000 -10.161 0.000) 10.161 2.391 ( 0.000 2.585 0.000) 2.585 2.462 ( 0.000 -4.286 0.000) 4.286 2.660 ( 0.000 2.938 0.000) 2.938 2.688 ( 0.000 2.758 0.000) 2.758 2.779 ( 0.000 4.056 0.000) 4.056 2.782 ( 0.000 0.488 0.000) 0.488 2.808 ( 0.000 -1.923 0.000) 1.923 2.944 ( 0.000 -8.910 0.000) 8.910 3.099 ( 0.000 1.556 0.000) 1.556 3.129 ( 0.000 -1.100 0.000) 1.100 3.458 ( 0.000 2.467 0.000) 2.467 3.520 ( 0.000 -3.257 0.000) 3.257 3.637 ( 0.000 4.754 0.000) 4.754 3.743 ( 0.000 -4.731 0.000) 4.731 3.745 ( 0.000 3.440 0.000) 3.440 3.770 ( 0.000 1.497 0.000) 1.497 3.781 ( 0.000 4.094 0.000) 4.094 3.884 ( 0.000 -4.808 0.000) 4.808 3.945 ( 0.000 -0.497 0.000) 0.497 3.987 ( 0.000 -3.872 0.000) 3.872 4.099 ( 0.000 6.081 0.000) 6.081 4.123 ( 0.000 1.787 0.000) 1.787 4.173 ( 0.000 -1.136 0.000) 1.136 4.220 ( 0.000 -2.822 0.000) 2.822 4.371 ( 0.000 -0.531 0.000) 0.531 4.381 ( 0.000 -1.936 0.000) 1.936 4.431 ( 0.000 3.777 0.000) 3.777 4.500 ( 0.000 -2.677 0.000) 2.677 4.686 ( 0.000 4.839 0.000) 4.839 4.802 ( 0.000 -5.279 0.000) 5.279 4.810 ( 0.000 2.456 0.000) 2.456 4.844 ( 0.000 -0.581 0.000) 0.581 5.101 ( 0.000 -0.379 0.000) 0.379 5.105 ( 0.000 -0.704 0.000) 0.704 5.239 ( 0.000 0.811 0.000) 0.811 5.261 ( 0.000 -1.146 0.000) 1.146 5.312 ( 0.000 1.342 0.000) 1.342 5.342 ( 0.000 -1.360 0.000) 1.360 5.692 ( 0.000 3.179 0.000) 3.179 5.746 ( 0.000 1.372 0.000) 1.372 5.769 ( 0.000 -3.731 0.000) 3.731 5.794 ( 0.000 -2.882 0.000) 2.882 5.934 ( 0.000 -0.040 0.000) 0.040 5.936 ( 0.000 -0.202 0.000) 0.202 6.198 ( 0.000 4.964 0.000) 4.964 6.292 ( 0.000 -3.408 0.000) 3.408 6.416 ( 0.000 1.368 0.000) 1.368 6.444 ( 0.000 -1.140 0.000) 1.140 6.590 ( 0.000 3.901 0.000) 3.901 6.667 ( 0.000 -3.079 0.000) 3.079 6.875 ( 0.000 4.249 0.000) 4.249 6.965 ( 0.000 -3.839 0.000) 3.839 6.970 ( 0.000 1.954 0.000) 1.954 7.017 ( 0.000 -2.261 0.000) 2.261 7.295 ( 0.000 1.906 0.000) 1.906 7.301 ( 0.000 2.282 0.000) 2.282 7.347 ( 0.000 -1.889 0.000) 1.889 7.352 ( 0.000 -3.344 0.000) 3.344 8.124 ( 0.000 5.343 0.000) 5.343 8.228 ( 0.000 -4.017 0.000) 4.017 9.292 ( 0.000 0.163 0.000) 0.163 9.293 ( 0.000 0.070 0.000) 0.070 9.459 ( 0.000 0.585 0.000) 0.585 9.473 ( 0.000 -0.644 0.000) 0.644 9.747 ( 0.000 0.709 0.000) 0.709 9.763 ( 0.000 -0.677 0.000) 0.677 10.060 ( 0.000 1.160 0.000) 1.160 10.086 ( 0.000 -1.114 0.000) 1.114 10.689 ( 0.000 0.310 0.000) 0.310 10.696 ( 0.000 -0.341 0.000) 0.341 10.803 ( 0.000 0.120 0.000) 0.120 10.806 ( 0.000 -0.141 0.000) 0.141 11.633 ( 0.000 0.088 0.000) 0.088 11.635 ( 0.000 -0.132 0.000) 0.132 11.691 ( 0.000 0.069 0.000) 0.069 11.692 ( 0.000 0.020 0.000) 0.020 12.100 ( 0.000 4.920 0.000) 4.920 12.227 ( 0.000 -6.431 0.000) 6.431 13.229 ( 0.000 0.506 0.000) 0.506 13.236 ( 0.000 -0.122 0.000) 0.122 13.999 ( 0.000 0.173 0.000) 0.173 14.002 ( 0.000 -0.059 0.000) 0.059 14.026 ( 0.000 1.850 0.000) 1.850 14.081 ( 0.000 -3.071 0.000) 3.071 14.336 ( 0.000 1.203 0.000) 1.203 14.365 ( 0.000 -1.412 0.000) 1.412 15.559 ( 0.000 2.230 0.000) 2.230 15.604 ( 0.000 -1.898 0.000) 1.898 15.629 ( 0.000 2.260 0.000) 2.260 15.680 ( 0.000 -2.184 0.000) 2.184 15.752 ( 0.000 2.561 0.000) 2.561 15.820 ( 0.000 -3.569 0.000) 3.569 16.153 ( 0.000 0.300 0.000) 0.300 16.172 ( 0.000 -1.541 0.000) 1.541 16.353 ( 0.000 3.774 0.000) 3.774 16.453 ( 0.000 -4.952 0.000) 4.952 16.850 ( 0.000 6.637 0.000) 6.637 16.949 ( 0.000 -2.465 0.000) 2.465 17.402 ( 0.000 1.443 0.000) 1.443 17.433 ( 0.000 -1.291 0.000) 1.291 17.689 ( 0.000 9.991 0.000) 9.991 17.904 ( 0.000 -9.142 0.000) 9.142 17.983 ( 0.000 4.528 0.000) 4.528 18.092 ( 0.000 -5.119 0.000) 5.119 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 15.784 10.837 0.000) 19.146 0.843 ( 11.587 9.499 0.000) 14.983 0.956 ( 15.815 2.235 0.000) 15.972 0.975 ( 6.043 -0.741 0.000) 6.088 1.136 ( 17.422 2.853 0.000) 17.654 1.203 ( -1.688 6.002 0.000) 6.235 1.328 ( 0.533 -9.841 0.000) 9.856 1.336 ( -5.374 -4.246 0.000) 6.849 1.404 ( -0.494 6.813 0.000) 6.831 1.560 ( -1.764 -6.173 0.000) 6.420 1.619 ( 3.227 2.395 0.000) 4.019 1.713 ( 5.166 -5.147 0.000) 7.293 1.932 ( 0.723 9.069 0.000) 9.098 1.982 ( 7.398 0.284 0.000) 7.404 2.043 ( 7.670 -4.509 0.000) 8.897 2.108 ( -4.193 -5.874 0.000) 7.217 2.381 ( -1.595 2.815 0.000) 3.236 2.458 ( -1.592 -4.531 0.000) 4.802 2.604 ( -5.697 1.415 0.000) 5.870 2.623 ( -7.868 -0.224 0.000) 7.871 2.780 ( -0.748 6.976 0.000) 7.016 2.783 ( 0.578 0.383 0.000) 0.693 2.832 ( 3.525 -3.830 0.000) 5.205 2.953 ( 0.108 -8.382 0.000) 8.383 3.183 ( 4.441 2.955 0.000) 5.334 3.240 ( 8.837 -2.155 0.000) 9.096 3.262 ( -13.675 7.231 0.000) 15.469 3.418 ( -8.248 -6.094 0.000) 10.255 3.606 ( -7.304 2.651 0.000) 7.771 3.620 ( -3.380 3.442 0.000) 4.824 3.646 ( -8.691 1.784 0.000) 8.872 3.687 ( -5.785 2.973 0.000) 6.505 3.701 ( -4.086 -3.733 0.000) 5.535 3.792 ( -6.060 -4.299 0.000) 7.430 4.035 ( 5.310 2.180 0.000) 5.740 4.104 ( 6.591 -3.984 0.000) 7.702 4.119 ( -0.447 4.191 0.000) 4.215 4.144 ( -0.317 2.431 0.000) 2.451 4.161 ( -2.404 -0.769 0.000) 2.524 4.230 ( 0.571 -3.057 0.000) 3.110 4.381 ( 1.496 0.172 0.000) 1.506 4.407 ( 2.391 -2.146 0.000) 3.212 4.465 ( 2.915 2.302 0.000) 3.715 4.515 ( 1.273 -2.137 0.000) 2.487 4.689 ( -0.170 4.578 0.000) 4.581 4.801 ( -0.285 -5.249 0.000) 5.257 4.820 ( 0.866 1.659 0.000) 1.871 4.846 ( -0.124 -0.824 0.000) 0.834 5.024 ( -4.887 0.293 0.000) 4.896 5.044 ( -3.445 -1.404 0.000) 3.720 5.220 ( -0.755 1.782 0.000) 1.935 5.229 ( -6.096 2.457 0.000) 6.572 5.254 ( -0.464 -1.228 0.000) 1.313 5.279 ( -5.433 -2.107 0.000) 5.827 5.615 ( -8.348 2.604 0.000) 8.744 5.671 ( -9.268 -2.465 0.000) 9.590 5.821 ( 7.096 0.468 0.000) 7.111 5.846 ( 4.870 -1.814 0.000) 5.197 5.989 ( 4.268 2.559 0.000) 4.977 6.072 ( 8.679 -5.342 0.000) 10.191 6.282 ( 7.036 4.384 0.000) 8.290 6.369 ( 6.308 -3.253 0.000) 7.097 6.402 ( -0.764 1.166 0.000) 1.394 6.424 ( -0.496 -0.663 0.000) 0.827 6.688 ( 9.014 3.767 0.000) 9.770 6.764 ( 9.340 -2.980 0.000) 9.804 6.883 ( 0.766 4.380 0.000) 4.446 6.976 ( 1.079 -3.994 0.000) 4.137 7.008 ( 3.103 0.673 0.000) 3.175 7.029 ( 1.271 -1.203 0.000) 1.750 7.269 ( -2.764 1.868 0.000) 3.336 7.306 ( 1.358 2.064 0.000) 2.471 7.326 ( -2.932 -3.364 0.000) 4.462 7.346 ( 0.504 -1.630 0.000) 1.706 7.947 ( -16.087 4.783 0.000) 16.783 8.038 ( -17.162 -3.444 0.000) 17.504 9.442 ( 14.170 1.657 0.000) 14.266 9.475 ( 15.524 -1.292 0.000) 15.577 9.487 ( 2.792 0.724 0.000) 2.884 9.505 ( 3.111 -0.969 0.000) 3.258 9.719 ( -2.788 0.794 0.000) 2.899 9.737 ( -2.594 -0.766 0.000) 2.705 10.049 ( -1.196 2.697 0.000) 2.950 10.095 ( 0.190 -1.613 0.000) 1.624 10.663 ( -2.563 0.472 0.000) 2.606 10.674 ( -2.278 -0.507 0.000) 2.334 10.718 ( -7.581 0.116 0.000) 7.582 10.720 ( -7.427 -0.093 0.000) 7.428 11.756 ( 11.700 0.820 0.000) 11.728 11.766 ( 12.119 0.233 0.000) 12.121 11.783 ( 10.747 1.689 0.000) 10.879 11.878 ( 14.041 -7.383 0.000) 15.864 12.083 ( -1.833 5.276 0.000) 5.585 12.222 ( -0.719 -7.117 0.000) 7.154 12.988 ( -21.217 0.671 0.000) 21.227 12.999 ( -21.009 -0.326 0.000) 21.012 14.005 ( 0.431 1.033 0.000) 1.119 14.015 ( -0.807 2.197 0.000) 2.341 14.045 ( 3.325 -3.077 0.000) 4.530 14.082 ( 0.127 -3.833 0.000) 3.835 14.558 ( 19.374 1.437 0.000) 19.427 14.592 ( 19.685 -1.584 0.000) 19.749 15.527 ( -7.339 1.585 0.000) 7.508 15.565 ( -6.595 -1.733 0.000) 6.819 15.622 ( 2.111 2.506 0.000) 3.276 15.675 ( 2.432 -2.048 0.000) 3.180 15.754 ( 0.011 2.664 0.000) 2.664 15.821 ( -0.112 -3.365 0.000) 3.367 16.176 ( 2.242 0.256 0.000) 2.257 16.192 ( 2.120 -1.174 0.000) 2.423 16.333 ( -1.954 2.967 0.000) 3.553 16.407 ( -4.123 -3.238 0.000) 5.243 16.916 ( 6.192 4.945 0.000) 7.924 16.989 ( 4.093 -1.514 0.000) 4.364 17.339 ( -6.206 3.369 0.000) 7.062 17.388 ( -4.957 -1.163 0.000) 5.092 17.693 ( 1.121 8.995 0.000) 9.064 17.891 ( -0.375 -8.528 0.000) 8.536 17.945 ( -3.823 4.791 0.000) 6.129 18.061 ( -3.056 -5.509 0.000) 6.300 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 4.442 13.571 0.000) 14.279 1.025 ( 1.119 6.679 0.000) 6.772 1.109 ( 9.380 0.738 0.000) 9.409 1.190 ( 2.543 -0.157 0.000) 2.548 1.191 ( 2.840 3.687 0.000) 4.654 1.283 ( -3.934 -3.398 0.000) 5.198 1.300 ( 1.833 -4.101 0.000) 4.492 1.381 ( -3.570 -5.616 0.000) 6.655 1.559 ( 14.563 2.546 0.000) 14.784 1.635 ( 12.752 -3.938 0.000) 13.346 1.658 ( 0.467 3.655 0.000) 3.685 1.767 ( -0.422 -5.778 0.000) 5.793 2.004 ( 9.988 6.720 0.000) 12.039 2.089 ( 5.613 -0.202 0.000) 5.616 2.156 ( 8.459 1.579 0.000) 8.605 2.216 ( 8.995 -3.449 0.000) 9.634 2.328 ( -3.924 1.260 0.000) 4.121 2.336 ( -18.936 2.989 0.000) 19.170 2.381 ( -6.582 -3.719 0.000) 7.560 2.418 ( -16.968 -4.201 0.000) 17.480 2.749 ( 0.653 7.933 0.000) 7.960 2.791 ( -1.229 2.485 0.000) 2.772 2.894 ( 2.101 -6.638 0.000) 6.962 2.931 ( -2.047 -8.434 0.000) 8.679 3.124 ( -0.367 10.116 0.000) 10.123 3.162 ( -3.497 8.084 0.000) 8.807 3.321 ( -1.685 -7.257 0.000) 7.450 3.322 ( -0.585 -6.485 0.000) 6.511 3.507 ( -4.048 6.117 0.000) 7.335 3.524 ( -4.889 4.267 0.000) 6.489 3.610 ( 1.953 -2.350 0.000) 3.056 3.627 ( -2.684 -5.029 0.000) 5.701 3.736 ( 6.628 -1.261 0.000) 6.747 3.761 ( 11.863 -2.233 0.000) 12.071 3.979 ( -13.388 1.316 0.000) 13.452 4.017 ( -12.435 -1.871 0.000) 12.575 4.105 ( 2.210 4.167 0.000) 4.717 4.131 ( -0.742 5.246 0.000) 5.298 4.194 ( 2.969 -3.730 0.000) 4.767 4.228 ( -0.871 -3.382 0.000) 3.493 4.436 ( 4.336 1.211 0.000) 4.502 4.475 ( 4.201 -2.124 0.000) 4.708 4.505 ( -0.851 0.662 0.000) 1.078 4.523 ( -0.632 -0.785 0.000) 1.007 4.691 ( 1.736 4.241 0.000) 4.582 4.770 ( -5.352 2.049 0.000) 5.731 4.795 ( 0.221 -5.007 0.000) 5.012 4.823 ( -2.342 -2.808 0.000) 3.657 5.055 ( 7.102 0.363 0.000) 7.111 5.068 ( 4.254 -0.734 0.000) 4.317 5.134 ( -3.753 1.703 0.000) 4.122 5.177 ( -5.095 -2.218 0.000) 5.557 5.251 ( 4.835 1.495 0.000) 5.061 5.275 ( 4.522 -0.493 0.000) 4.549 5.413 ( -11.530 2.410 0.000) 11.779 5.455 ( -12.251 -1.512 0.000) 12.344 5.950 ( 5.385 0.767 0.000) 5.439 5.979 ( 8.692 -1.792 0.000) 8.875 6.022 ( -1.480 3.336 0.000) 3.650 6.114 ( -4.214 -4.811 0.000) 6.396 6.394 ( 3.631 3.203 0.000) 4.842 6.412 ( 1.019 1.694 0.000) 1.977 6.455 ( 2.723 -1.994 0.000) 3.375 6.463 ( 2.534 -2.893 0.000) 3.846 6.863 ( 6.408 4.540 0.000) 7.854 6.899 ( 0.574 4.666 0.000) 4.701 6.958 ( 7.926 -3.861 0.000) 8.816 6.999 ( 0.912 -4.304 0.000) 4.399 7.073 ( 5.248 -0.034 0.000) 5.248 7.077 ( 4.994 -0.570 0.000) 5.027 7.189 ( -5.668 1.321 0.000) 5.820 7.231 ( -7.420 -2.642 0.000) 7.877 7.389 ( 7.852 1.287 0.000) 7.957 7.413 ( 8.281 -0.915 0.000) 8.331 7.618 ( -16.328 3.464 0.000) 16.692 7.681 ( -18.449 -2.312 0.000) 18.593 9.557 ( 4.420 0.877 0.000) 4.506 9.579 ( 4.430 -1.096 0.000) 4.563 9.643 ( -4.233 0.780 0.000) 4.305 9.661 ( -3.136 -0.723 0.000) 3.218 9.747 ( 14.266 2.530 0.000) 14.489 9.797 ( 15.949 -1.901 0.000) 16.062 9.976 ( -7.971 3.414 0.000) 8.672 10.037 ( -7.905 -2.167 0.000) 8.197 10.598 ( -3.122 0.457 0.000) 3.155 10.606 ( -2.768 0.641 0.000) 2.842 10.609 ( -2.615 -0.469 0.000) 2.657 10.621 ( -2.722 -0.677 0.000) 2.805 11.915 ( 7.223 5.324 0.000) 8.973 12.026 ( -4.366 5.856 0.000) 7.304 12.065 ( 11.986 -6.526 0.000) 13.648 12.105 ( 21.133 0.860 0.000) 21.151 12.142 ( 17.567 -4.575 0.000) 18.153 12.188 ( -3.314 -8.749 0.000) 9.356 12.542 ( -24.253 0.777 0.000) 24.265 12.558 ( -23.900 -0.600 0.000) 23.907 14.005 ( -0.140 2.552 0.000) 2.556 14.007 ( -0.194 2.218 0.000) 2.227 14.087 ( 0.874 -5.624 0.000) 5.692 14.088 ( 0.407 -5.166 0.000) 5.182 14.952 ( 20.591 1.670 0.000) 20.658 14.991 ( 20.815 -1.831 0.000) 20.895 15.302 ( -15.673 1.752 0.000) 15.771 15.343 ( -15.726 -2.017 0.000) 15.855 15.691 ( 3.763 2.733 0.000) 4.651 15.742 ( -1.549 2.778 0.000) 3.180 15.747 ( 4.006 -2.296 0.000) 4.617 15.805 ( -1.887 -2.823 0.000) 3.396 16.228 ( 3.049 0.855 0.000) 3.167 16.248 ( 3.551 -1.132 0.000) 3.727 16.286 ( -2.899 1.628 0.000) 3.325 16.323 ( -4.357 -1.512 0.000) 4.612 17.053 ( 7.623 3.656 0.000) 8.455 17.099 ( 7.408 -0.145 0.000) 7.409 17.199 ( -7.819 4.470 0.000) 9.007 17.255 ( -8.391 -0.487 0.000) 8.405 17.748 ( 4.566 6.927 0.000) 8.297 17.851 ( -5.718 5.550 0.000) 7.969 17.914 ( 2.856 -7.710 0.000) 8.221 17.987 ( -4.361 -6.532 0.000) 7.855 ======================= Grid point 25 (10/45) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 0.000 0.000 15.285) 15.285 0.550 ( 0.000 0.000 27.384) 27.384 0.700 ( 0.000 0.000 10.456) 10.456 0.793 ( 0.000 0.000 38.241) 38.241 1.056 ( 0.000 0.000 5.562) 5.562 1.159 ( 0.000 0.000 0.805) 0.805 1.269 ( 0.000 0.000 -3.946) 3.946 1.525 ( 0.000 0.000 -4.454) 4.454 1.587 ( 0.000 0.000 0.551) 0.551 1.615 ( 0.000 0.000 16.891) 16.891 1.660 ( 0.000 0.000 5.552) 5.552 1.782 ( 0.000 0.000 -1.623) 1.623 1.815 ( 0.000 0.000 8.708) 8.708 2.026 ( 0.000 0.000 3.547) 3.547 2.238 ( 0.000 0.000 -4.861) 4.861 2.295 ( 0.000 0.000 0.739) 0.739 2.312 ( 0.000 0.000 -6.145) 6.145 2.439 ( 0.000 0.000 3.700) 3.700 2.582 ( 0.000 0.000 0.967) 0.967 2.619 ( 0.000 0.000 -6.203) 6.203 2.793 ( 0.000 0.000 2.268) 2.268 2.814 ( 0.000 0.000 3.888) 3.888 2.899 ( 0.000 0.000 1.415) 1.415 2.908 ( 0.000 0.000 0.171) 0.171 3.165 ( 0.000 0.000 3.095) 3.095 3.223 ( 0.000 0.000 -4.691) 4.691 3.266 ( 0.000 0.000 -1.781) 1.781 3.296 ( 0.000 0.000 -2.305) 2.305 3.460 ( 0.000 0.000 -4.937) 4.937 3.491 ( 0.000 0.000 -9.736) 9.736 3.626 ( 0.000 0.000 0.650) 0.650 3.706 ( 0.000 0.000 -0.428) 0.428 3.722 ( 0.000 0.000 -10.341) 10.341 3.884 ( 0.000 0.000 -2.994) 2.994 3.923 ( 0.000 0.000 1.629) 1.629 4.011 ( 0.000 0.000 -2.867) 2.867 4.027 ( 0.000 0.000 -4.150) 4.150 4.185 ( 0.000 0.000 -0.494) 0.494 4.191 ( 0.000 0.000 0.523) 0.523 4.210 ( 0.000 0.000 -1.583) 1.583 4.265 ( 0.000 0.000 0.796) 0.796 4.362 ( 0.000 0.000 -2.642) 2.642 4.581 ( 0.000 0.000 1.007) 1.007 4.601 ( 0.000 0.000 2.594) 2.594 4.685 ( 0.000 0.000 -5.354) 5.354 4.718 ( 0.000 0.000 0.457) 0.457 4.927 ( 0.000 0.000 3.094) 3.094 5.004 ( 0.000 0.000 -7.892) 7.892 5.083 ( 0.000 0.000 -3.853) 3.853 5.096 ( 0.000 0.000 9.085) 9.085 5.104 ( 0.000 0.000 -5.000) 5.000 5.195 ( 0.000 0.000 1.646) 1.646 5.453 ( 0.000 0.000 3.484) 3.484 5.617 ( 0.000 0.000 -1.016) 1.016 5.645 ( 0.000 0.000 -11.975) 11.975 5.776 ( 0.000 0.000 3.444) 3.444 5.791 ( 0.000 0.000 -3.722) 3.722 5.926 ( 0.000 0.000 -0.911) 0.911 5.974 ( 0.000 0.000 4.492) 4.492 6.047 ( 0.000 0.000 0.310) 0.310 6.137 ( 0.000 0.000 9.823) 9.823 6.314 ( 0.000 0.000 -2.719) 2.719 6.402 ( 0.000 0.000 2.646) 2.646 6.526 ( 0.000 0.000 4.832) 4.832 6.527 ( 0.000 0.000 6.697) 6.697 6.724 ( 0.000 0.000 -2.972) 2.972 6.781 ( 0.000 0.000 3.981) 3.981 6.917 ( 0.000 0.000 -0.202) 0.202 7.054 ( 0.000 0.000 -1.086) 1.086 7.087 ( 0.000 0.000 0.861) 0.861 7.094 ( 0.000 0.000 0.166) 0.166 7.247 ( 0.000 0.000 -1.081) 1.081 7.397 ( 0.000 0.000 0.612) 0.612 7.499 ( 0.000 0.000 2.403) 2.403 8.337 ( 0.000 0.000 1.303) 1.303 8.715 ( 0.000 0.000 -6.752) 6.752 9.253 ( 0.000 0.000 -2.059) 2.059 9.267 ( 0.000 0.000 -1.543) 1.543 9.537 ( 0.000 0.000 7.661) 7.661 9.573 ( 0.000 0.000 7.144) 7.144 9.587 ( 0.000 0.000 -8.517) 8.517 9.705 ( 0.000 0.000 -5.718) 5.718 10.027 ( 0.000 0.000 10.272) 10.272 10.212 ( 0.000 0.000 7.956) 7.956 10.673 ( 0.000 0.000 -0.907) 0.907 10.763 ( 0.000 0.000 -4.005) 4.005 10.778 ( 0.000 0.000 -3.514) 3.514 10.878 ( 0.000 0.000 -2.173) 2.173 11.570 ( 0.000 0.000 -1.476) 1.476 11.587 ( 0.000 0.000 -2.758) 2.758 11.723 ( 0.000 0.000 3.174) 3.174 11.724 ( 0.000 0.000 3.276) 3.276 12.114 ( 0.000 0.000 9.673) 9.673 12.464 ( 0.000 0.000 4.310) 4.310 13.192 ( 0.000 0.000 -4.380) 4.380 13.528 ( 0.000 0.000 -15.114) 15.114 13.964 ( 0.000 0.000 -1.647) 1.647 14.035 ( 0.000 0.000 3.203) 3.203 14.204 ( 0.000 0.000 13.939) 13.939 14.212 ( 0.000 0.000 3.790) 3.790 14.426 ( 0.000 0.000 9.870) 9.870 15.256 ( 0.000 0.000 -2.281) 2.281 15.505 ( 0.000 0.000 0.862) 0.862 15.527 ( 0.000 0.000 -3.433) 3.433 15.662 ( 0.000 0.000 -3.251) 3.251 15.673 ( 0.000 0.000 1.863) 1.863 15.716 ( 0.000 0.000 -0.799) 0.799 15.866 ( 0.000 0.000 -3.451) 3.451 16.053 ( 0.000 0.000 5.557) 5.557 16.184 ( 0.000 0.000 2.992) 2.992 16.219 ( 0.000 0.000 -2.009) 2.009 16.345 ( 0.000 0.000 -0.744) 0.744 16.582 ( 0.000 0.000 -1.143) 1.143 16.951 ( 0.000 0.000 -1.117) 1.117 17.251 ( 0.000 0.000 -1.999) 1.999 17.336 ( 0.000 0.000 -4.240) 4.240 17.408 ( 0.000 0.000 0.580) 0.580 17.478 ( 0.000 0.000 1.349) 1.349 17.849 ( 0.000 0.000 -2.797) 2.797 18.161 ( 0.000 0.000 -6.448) 6.448 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 8.027 0.000 11.945) 14.392 0.678 ( 16.976 0.000 17.075) 24.078 0.862 ( 15.086 0.000 6.040) 16.250 1.097 ( 3.819 0.000 7.485) 8.403 1.112 ( 1.887 0.000 9.171) 9.363 1.155 ( 15.035 0.000 18.717) 24.008 1.406 ( 17.175 0.000 -1.563) 17.246 1.443 ( -5.930 0.000 5.954) 8.403 1.511 ( -0.984 0.000 -2.615) 2.794 1.649 ( -2.119 0.000 4.500) 4.974 1.689 ( 4.055 0.000 8.667) 9.569 1.785 ( -4.005 0.000 4.191) 5.797 1.846 ( 3.819 0.000 -1.487) 4.099 2.082 ( 3.867 0.000 0.389) 3.886 2.125 ( -11.617 0.000 -3.808) 12.225 2.244 ( -5.905 0.000 -5.496) 8.067 2.275 ( 1.541 0.000 1.651) 2.259 2.419 ( -0.830 0.000 -0.033) 0.830 2.591 ( -2.305 0.000 -4.087) 4.692 2.662 ( 6.246 0.000 0.318) 6.254 2.711 ( -9.126 0.000 5.676) 10.747 2.807 ( -4.255 0.000 -1.267) 4.439 2.918 ( -0.851 0.000 -1.928) 2.108 2.999 ( 10.151 0.000 -1.262) 10.230 3.098 ( -17.516 0.000 1.993) 17.629 3.218 ( -1.590 0.000 -4.437) 4.713 3.254 ( -4.265 0.000 -5.924) 7.300 3.327 ( 13.501 0.000 3.791) 14.023 3.420 ( -2.274 0.000 -0.690) 2.376 3.558 ( 6.730 0.000 -4.947) 8.352 3.620 ( -1.308 0.000 -1.535) 2.017 3.674 ( -4.362 0.000 1.829) 4.730 3.732 ( 1.422 0.000 -8.247) 8.369 3.768 ( -4.366 0.000 -7.585) 8.752 3.963 ( -0.546 0.000 2.575) 2.632 4.015 ( -3.475 0.000 1.688) 3.863 4.057 ( 0.321 0.000 -4.672) 4.683 4.122 ( -0.643 0.000 -6.285) 6.317 4.175 ( 1.841 0.000 -7.004) 7.242 4.185 ( -1.806 0.000 -3.210) 3.683 4.376 ( 3.218 0.000 -1.680) 3.630 4.384 ( 4.712 0.000 -0.313) 4.723 4.546 ( -3.017 0.000 -1.318) 3.292 4.594 ( -1.264 0.000 2.947) 3.207 4.641 ( -3.684 0.000 0.091) 3.685 4.744 ( -0.417 0.000 -3.535) 3.560 4.904 ( -0.223 0.000 1.837) 1.850 4.964 ( 0.011 0.000 -1.871) 1.871 5.025 ( -4.744 0.000 1.780) 5.067 5.089 ( -0.608 0.000 4.148) 4.192 5.097 ( -0.531 0.000 -1.936) 2.007 5.236 ( 2.527 0.000 6.732) 7.191 5.401 ( -10.308 0.000 3.198) 10.793 5.444 ( -1.823 0.000 7.303) 7.528 5.541 ( -8.417 0.000 -1.174) 8.499 5.672 ( -7.522 0.000 -1.115) 7.604 5.862 ( 6.456 0.000 1.969) 6.749 5.936 ( 0.960 0.000 -0.340) 1.019 5.973 ( 1.383 0.000 4.728) 4.926 6.123 ( 7.432 0.000 -3.479) 8.206 6.348 ( 0.681 0.000 -2.909) 2.988 6.355 ( 9.987 0.000 -4.002) 10.760 6.409 ( 0.082 0.000 2.000) 2.001 6.458 ( -0.796 0.000 2.907) 3.014 6.652 ( 7.411 0.000 5.688) 9.342 6.729 ( 0.541 0.000 -3.102) 3.149 6.849 ( 6.671 0.000 1.744) 6.895 6.967 ( 3.896 0.000 -2.306) 4.527 7.066 ( 1.133 0.000 -1.302) 1.726 7.089 ( 1.138 0.000 1.319) 1.742 7.155 ( 5.889 0.000 -1.109) 5.993 7.222 ( -2.619 0.000 -1.088) 2.836 7.392 ( 0.193 0.000 1.131) 1.148 7.485 ( -1.403 0.000 2.513) 2.878 8.042 ( -27.523 0.000 7.036) 28.408 8.224 ( -24.784 0.000 9.832) 26.663 9.351 ( 6.507 0.000 -2.285) 6.897 9.416 ( 9.868 0.000 -3.945) 10.628 9.578 ( -1.225 0.000 -7.944) 8.038 9.602 ( 6.867 0.000 8.192) 10.690 9.656 ( 9.114 0.000 6.734) 11.332 9.688 ( -1.810 0.000 -5.256) 5.559 10.022 ( -1.027 0.000 9.288) 9.345 10.210 ( -0.796 0.000 6.555) 6.603 10.643 ( -3.014 0.000 -0.952) 3.161 10.689 ( -6.309 0.000 -2.553) 6.806 10.700 ( -6.577 0.000 -2.368) 6.991 10.704 ( -6.133 0.000 0.891) 6.197 11.684 ( 10.759 0.000 -3.762) 11.398 11.727 ( 12.649 0.000 -2.371) 12.870 11.756 ( 3.490 0.000 2.847) 4.504 12.115 ( 0.830 0.000 10.395) 10.428 12.119 ( 13.803 0.000 -15.538) 20.783 12.499 ( 3.732 0.000 5.458) 6.612 12.987 ( -18.677 0.000 -1.469) 18.735 13.374 ( -22.705 0.000 11.964) 25.664 14.004 ( 1.705 0.000 0.704) 1.845 14.019 ( -1.317 0.000 3.540) 3.777 14.116 ( 8.004 0.000 -10.669) 13.337 14.232 ( 1.907 0.000 2.092) 2.830 14.636 ( 16.977 0.000 4.626) 17.596 14.989 ( -6.995 0.000 11.530) 13.486 15.445 ( -8.161 0.000 -3.582) 8.913 15.546 ( 4.109 0.000 0.829) 4.192 15.597 ( -8.925 0.000 -4.136) 9.837 15.693 ( -0.331 0.000 -0.181) 0.377 15.835 ( 2.920 0.000 -1.085) 3.115 15.887 ( 1.424 0.000 -2.214) 2.633 16.066 ( 1.539 0.000 4.995) 5.227 16.216 ( 3.789 0.000 1.764) 4.180 16.341 ( -1.640 0.000 -2.750) 3.202 16.348 ( 0.110 0.000 -0.167) 0.201 16.687 ( 12.465 0.000 -5.353) 13.565 16.964 ( 1.256 0.000 -0.740) 1.457 17.092 ( -4.837 0.000 3.815) 6.160 17.282 ( -5.512 0.000 -3.975) 6.796 17.511 ( 3.496 0.000 0.753) 3.576 17.776 ( 16.346 0.000 -17.051) 23.620 17.810 ( -3.881 0.000 -2.455) 4.592 18.136 ( -2.517 0.000 -6.902) 7.347 ======================= Grid point 27 (12/45) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 13.070 0.000 7.489) 15.063 0.865 ( -13.719 0.000 5.777) 14.885 1.070 ( 17.513 0.000 9.209) 19.787 1.169 ( 2.631 0.000 11.991) 12.276 1.191 ( 16.245 0.000 2.340) 16.412 1.345 ( 2.658 0.000 4.994) 5.657 1.484 ( -5.703 0.000 -4.506) 7.268 1.509 ( -12.656 0.000 3.291) 13.077 1.637 ( -0.424 0.000 0.544) 0.690 1.652 ( -6.901 0.000 3.727) 7.843 1.699 ( 25.485 0.000 9.804) 27.305 1.904 ( 18.785 0.000 -2.168) 18.910 1.941 ( 10.588 0.000 2.899) 10.977 1.951 ( -5.367 0.000 -1.537) 5.582 2.087 ( -9.294 0.000 -8.180) 12.381 2.118 ( 4.122 0.000 -5.397) 6.791 2.299 ( -16.783 0.000 -3.173) 17.080 2.412 ( 10.045 0.000 2.246) 10.293 2.429 ( -18.584 0.000 1.473) 18.642 2.566 ( -4.465 0.000 4.989) 6.695 2.708 ( -2.311 0.000 0.171) 2.317 2.721 ( -9.636 0.000 4.744) 10.740 2.822 ( 6.318 0.000 1.041) 6.403 2.919 ( -3.348 0.000 -0.632) 3.407 3.155 ( -1.103 0.000 -1.669) 2.001 3.162 ( -3.833 0.000 -4.987) 6.290 3.176 ( 6.366 0.000 -2.519) 6.847 3.324 ( -7.281 0.000 0.328) 7.288 3.564 ( -2.421 0.000 -0.587) 2.491 3.565 ( 1.646 0.000 3.218) 3.614 3.602 ( 8.010 0.000 -4.985) 9.435 3.738 ( -1.262 0.000 -6.635) 6.754 3.759 ( 7.310 0.000 -3.949) 8.308 3.787 ( 3.840 0.000 -1.734) 4.214 3.890 ( -0.602 0.000 -0.470) 0.764 3.939 ( -1.847 0.000 0.025) 1.847 4.017 ( -5.744 0.000 1.240) 5.876 4.027 ( -9.030 0.000 -2.963) 9.504 4.234 ( 3.801 0.000 -6.297) 7.355 4.238 ( 2.958 0.000 -6.980) 7.581 4.424 ( 2.945 0.000 -2.381) 3.787 4.481 ( 5.065 0.000 -1.149) 5.194 4.483 ( -3.250 0.000 -3.066) 4.468 4.559 ( -2.323 0.000 2.211) 3.208 4.587 ( -1.188 0.000 2.969) 3.197 4.642 ( -6.996 0.000 -5.209) 8.723 4.936 ( 1.746 0.000 0.294) 1.770 4.961 ( -1.734 0.000 -1.793) 2.495 5.059 ( 2.841 0.000 2.551) 3.818 5.072 ( -0.894 0.000 3.128) 3.253 5.107 ( 7.122 0.000 -0.631) 7.150 5.296 ( -6.300 0.000 1.039) 6.385 5.308 ( 6.254 0.000 6.780) 9.223 5.366 ( -5.655 0.000 3.842) 6.837 5.388 ( -2.931 0.000 10.475) 10.877 5.491 ( -10.630 0.000 3.253) 11.117 5.945 ( 1.585 0.000 0.442) 1.646 5.953 ( 0.483 0.000 -0.034) 0.484 6.076 ( 9.076 0.000 3.101) 9.591 6.231 ( -3.317 0.000 -2.690) 4.270 6.307 ( 2.452 0.000 0.019) 2.452 6.383 ( -2.840 0.000 -0.394) 2.867 6.483 ( 3.710 0.000 -3.213) 4.908 6.497 ( 2.031 0.000 -2.026) 2.869 6.746 ( 1.113 0.000 -2.764) 2.980 6.751 ( 1.743 0.000 0.283) 1.766 7.014 ( 9.374 0.000 -1.695) 9.526 7.053 ( 5.072 0.000 -1.521) 5.295 7.086 ( 0.380 0.000 -2.317) 2.348 7.143 ( -2.040 0.000 -0.360) 2.072 7.173 ( 4.092 0.000 1.023) 4.218 7.257 ( 2.640 0.000 -2.435) 3.591 7.432 ( 0.443 0.000 1.821) 1.874 7.490 ( 8.472 0.000 5.543) 10.124 7.569 ( -19.395 0.000 8.339) 21.112 7.799 ( -20.853 0.000 6.344) 21.797 9.457 ( 4.759 0.000 -4.549) 6.583 9.535 ( -3.303 0.000 -6.325) 7.136 9.554 ( 5.244 0.000 -4.194) 6.715 9.636 ( -3.589 0.000 -4.406) 5.683 9.779 ( 10.906 0.000 7.901) 13.467 9.907 ( 14.778 0.000 5.239) 15.679 9.957 ( -6.615 0.000 7.545) 10.034 10.137 ( -8.162 0.000 4.374) 9.260 10.581 ( -3.304 0.000 -0.772) 3.393 10.582 ( -2.570 0.000 -0.871) 2.713 10.614 ( -1.603 0.000 -0.737) 1.764 10.630 ( -2.629 0.000 -0.770) 2.739 11.831 ( 3.727 0.000 1.700) 4.097 11.855 ( 3.347 0.000 -2.780) 4.350 11.993 ( 13.997 0.000 -5.449) 15.020 12.184 ( -4.490 0.000 -11.573) 12.414 12.230 ( 13.857 0.000 8.590) 16.303 12.589 ( -21.622 0.000 2.950) 21.822 12.618 ( 9.739 0.000 10.141) 14.060 12.912 ( -21.574 0.000 16.825) 27.359 14.001 ( -0.320 0.000 3.701) 3.715 14.005 ( -0.523 0.000 3.316) 3.357 14.277 ( 2.484 0.000 -2.472) 3.504 14.283 ( 3.855 0.000 -11.842) 12.453 14.976 ( 15.458 0.000 2.814) 15.712 15.039 ( 13.339 0.000 0.847) 13.366 15.237 ( -13.184 0.000 -1.634) 13.285 15.355 ( -15.876 0.000 -4.269) 16.440 15.628 ( 3.813 0.000 0.892) 3.916 15.679 ( -1.580 0.000 0.490) 1.654 15.870 ( 1.719 0.000 -0.107) 1.723 15.897 ( -0.670 0.000 -0.718) 0.982 16.122 ( 4.499 0.000 3.357) 5.614 16.226 ( -5.636 0.000 1.372) 5.801 16.302 ( 2.465 0.000 1.907) 3.117 16.341 ( -1.108 0.000 0.947) 1.457 16.919 ( 10.669 0.000 -4.907) 11.744 16.990 ( 1.110 0.000 -0.273) 1.143 17.042 ( -0.842 0.000 2.245) 2.397 17.141 ( -8.888 0.000 -3.129) 9.423 17.600 ( 5.663 0.000 -0.361) 5.674 17.713 ( -5.964 0.000 -1.552) 6.163 17.972 ( 6.555 0.000 -12.062) 13.728 18.071 ( -4.275 0.000 -8.478) 9.495 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 0.000 11.940 9.119) 15.024 0.615 ( 0.000 5.450 23.874) 24.488 0.795 ( 0.000 7.741 6.666) 10.216 0.903 ( 0.000 8.484 27.314) 28.601 1.040 ( 0.000 -2.802 8.208) 8.673 1.205 ( 0.000 6.544 0.049) 6.544 1.243 ( 0.000 -2.350 -2.027) 3.103 1.463 ( 0.000 -5.020 -4.674) 6.859 1.573 ( 0.000 -2.248 11.844) 12.055 1.611 ( 0.000 1.282 0.576) 1.405 1.674 ( 0.000 -4.345 -0.037) 4.345 1.778 ( 0.000 -3.237 8.041) 8.669 1.799 ( 0.000 6.180 5.376) 8.191 2.005 ( 0.000 -1.868 4.785) 5.137 2.121 ( 0.000 -6.578 -0.093) 6.578 2.271 ( 0.000 -3.719 -5.184) 6.380 2.325 ( 0.000 1.723 -0.949) 1.967 2.536 ( 0.000 -5.168 -4.209) 6.665 2.563 ( 0.000 8.003 1.928) 8.232 2.617 ( 0.000 2.001 1.006) 2.240 2.796 ( 0.000 0.213 2.799) 2.807 2.812 ( 0.000 -0.317 3.027) 3.044 2.864 ( 0.000 -1.992 1.023) 2.239 3.032 ( 0.000 4.655 -2.357) 5.217 3.156 ( 0.000 -5.462 0.986) 5.550 3.167 ( 0.000 -0.748 2.727) 2.828 3.311 ( 0.000 1.337 -6.876) 7.005 3.391 ( 0.000 7.968 -11.713) 14.166 3.480 ( 0.000 0.080 -10.053) 10.053 3.505 ( 0.000 4.086 -4.089) 5.781 3.625 ( 0.000 0.337 -2.263) 2.287 3.715 ( 0.000 -0.699 -8.493) 8.522 3.728 ( 0.000 1.674 -0.518) 1.752 3.863 ( 0.000 -1.757 -4.270) 4.617 3.947 ( 0.000 1.049 -3.410) 3.568 3.967 ( 0.000 -2.744 -2.903) 3.994 4.066 ( 0.000 1.403 -3.390) 3.669 4.066 ( 0.000 -2.646 0.255) 2.659 4.197 ( 0.000 -0.819 -1.444) 1.660 4.250 ( 0.000 -1.338 0.384) 1.392 4.359 ( 0.000 0.337 -1.707) 1.740 4.363 ( 0.000 8.000 2.252) 8.311 4.552 ( 0.000 -5.908 0.539) 5.933 4.585 ( 0.000 0.446 0.676) 0.810 4.614 ( 0.000 -1.251 2.356) 2.668 4.776 ( 0.000 2.027 -0.021) 2.027 4.935 ( 0.000 0.597 2.899) 2.960 4.983 ( 0.000 -6.327 4.901) 8.003 5.017 ( 0.000 -0.416 -4.476) 4.496 5.044 ( 0.000 -2.056 -5.671) 6.032 5.149 ( 0.000 2.792 -2.238) 3.578 5.242 ( 0.000 2.688 1.814) 3.243 5.432 ( 0.000 -1.700 2.794) 3.270 5.507 ( 0.000 -9.068 -0.101) 9.069 5.628 ( 0.000 0.808 -2.556) 2.680 5.713 ( 0.000 -2.202 -7.345) 7.668 5.780 ( 0.000 0.759 5.259) 5.314 5.976 ( 0.000 0.376 4.352) 4.368 5.985 ( 0.000 -0.115 4.743) 4.744 6.048 ( 0.000 -4.060 12.066) 12.731 6.086 ( 0.000 3.069 -0.280) 3.082 6.264 ( 0.000 -2.714 -4.692) 5.421 6.435 ( 0.000 2.687 1.432) 3.045 6.521 ( 0.000 -0.411 4.733) 4.751 6.557 ( 0.000 2.111 5.791) 6.164 6.744 ( 0.000 -0.599 0.578) 0.832 6.772 ( 0.000 1.601 0.036) 1.602 6.934 ( 0.000 1.379 0.121) 1.384 7.012 ( 0.000 -2.605 -2.352) 3.510 7.055 ( 0.000 -1.710 0.499) 1.781 7.196 ( 0.000 4.934 -1.240) 5.088 7.258 ( 0.000 1.021 -0.803) 1.299 7.383 ( 0.000 -1.232 0.519) 1.337 7.463 ( 0.000 -3.360 2.100) 3.962 8.321 ( 0.000 -1.425 1.877) 2.356 8.371 ( 0.000 -13.715 13.907) 19.532 9.256 ( 0.000 0.215 -2.015) 2.027 9.262 ( 0.000 -0.042 -1.408) 1.409 9.539 ( 0.000 0.265 7.431) 7.436 9.569 ( 0.000 -0.361 7.148) 7.157 9.650 ( 0.000 2.192 -7.772) 8.075 9.702 ( 0.000 -0.276 -5.632) 5.639 10.081 ( 0.000 3.033 6.394) 7.077 10.203 ( 0.000 -0.858 7.818) 7.865 10.677 ( 0.000 0.378 -0.719) 0.813 10.764 ( 0.000 0.094 -3.980) 3.981 10.777 ( 0.000 -0.258 -3.497) 3.507 10.781 ( 0.000 -4.542 2.814) 5.343 11.577 ( 0.000 0.306 -2.519) 2.537 11.586 ( 0.000 -0.083 -2.762) 2.763 11.724 ( 0.000 0.048 3.247) 3.247 11.724 ( 0.000 0.076 3.187) 3.187 12.140 ( 0.000 2.408 9.716) 10.010 12.447 ( 0.000 -2.812 5.783) 6.430 13.195 ( 0.000 0.245 -4.266) 4.273 13.357 ( 0.000 -9.605 -0.537) 9.620 13.966 ( 0.000 0.230 -1.355) 1.375 14.033 ( 0.000 -0.663 4.136) 4.189 14.075 ( 0.000 -5.299 11.537) 12.695 14.184 ( 0.000 -2.409 3.730) 4.440 14.434 ( 0.000 0.718 9.945) 9.971 14.631 ( 0.000 -12.305 17.298) 21.228 15.515 ( 0.000 1.679 -0.049) 1.680 15.557 ( 0.000 1.295 -3.242) 3.491 15.647 ( 0.000 -1.366 -0.809) 1.587 15.676 ( 0.000 0.006 -1.115) 1.115 15.716 ( 0.000 0.186 -0.682) 0.707 15.890 ( 0.000 -3.028 -0.752) 3.120 16.173 ( 0.000 -0.372 1.910) 1.946 16.201 ( 0.000 -1.429 -1.224) 1.881 16.306 ( 0.000 0.065 -0.887) 0.889 16.527 ( 0.000 14.816 -10.637) 18.239 16.540 ( 0.000 -3.479 -1.170) 3.670 16.945 ( 0.000 -0.902 -2.163) 2.344 17.362 ( 0.000 1.738 -1.983) 2.636 17.459 ( 0.000 -0.400 -0.129) 0.420 17.472 ( 0.000 5.909 -1.755) 6.164 17.686 ( 0.000 13.987 -19.264) 23.806 17.883 ( 0.000 3.055 -3.341) 4.527 18.127 ( 0.000 -3.012 -5.971) 6.688 ======================= Grid point 31 (14/45) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 7.306 12.059 5.611) 15.175 0.755 ( 14.620 6.355 13.959) 21.189 0.916 ( 12.423 4.344 3.360) 13.583 1.057 ( 7.795 -0.490 11.614) 13.996 1.132 ( -5.806 0.685 2.285) 6.277 1.246 ( 19.198 4.944 15.858) 25.387 1.378 ( 1.051 -4.593 -0.617) 4.752 1.417 ( 9.747 0.825 1.986) 9.981 1.498 ( -2.428 -0.951 1.808) 3.174 1.607 ( -1.394 -2.061 5.253) 5.813 1.727 ( -1.749 -0.875 6.160) 6.463 1.790 ( 3.521 -2.373 -0.565) 4.283 1.813 ( 1.292 2.891 3.090) 4.425 2.038 ( 2.403 -3.160 0.501) 4.002 2.128 ( -7.694 -0.434 -3.394) 8.420 2.195 ( 4.685 -3.936 2.949) 6.792 2.273 ( -7.508 1.374 -4.344) 8.783 2.457 ( -4.302 -1.530 -5.236) 6.947 2.595 ( 0.876 3.400 1.240) 3.724 2.661 ( 0.682 -0.131 2.491) 2.587 2.730 ( -5.603 1.386 4.097) 7.078 2.810 ( -0.227 0.079 0.855) 0.888 2.946 ( 7.352 -3.523 2.139) 8.428 3.005 ( -6.265 5.964 -5.328) 10.159 3.119 ( -10.291 -0.174 1.745) 10.439 3.170 ( -2.631 -2.396 -2.315) 4.245 3.279 ( 4.205 -0.071 -2.210) 4.751 3.348 ( 0.896 3.446 -4.942) 6.091 3.488 ( 0.245 4.565 -0.628) 4.615 3.535 ( 3.000 -1.205 -5.175) 6.101 3.579 ( -4.712 -2.255 -1.325) 5.389 3.665 ( -4.253 -2.530 -3.204) 5.895 3.705 ( -1.583 0.323 -2.813) 3.244 3.784 ( -3.715 -0.624 -6.166) 7.226 3.963 ( -3.898 -0.589 -1.944) 4.395 4.023 ( 4.528 1.947 -1.246) 5.084 4.053 ( 4.224 -2.880 -8.072) 9.555 4.082 ( -1.113 0.800 -4.355) 4.565 4.158 ( -3.374 0.013 -2.573) 4.244 4.262 ( 0.310 1.353 -1.299) 1.900 4.375 ( 1.647 -0.311 -1.838) 2.488 4.432 ( 5.342 5.467 0.915) 7.698 4.536 ( -1.302 -5.178 0.193) 5.343 4.554 ( -2.795 0.334 -1.195) 3.058 4.598 ( -2.082 -1.047 2.770) 3.620 4.786 ( -1.057 1.772 -1.861) 2.779 4.895 ( -2.204 -0.873 1.473) 2.791 4.957 ( -2.596 -1.834 -1.118) 3.369 4.980 ( 0.892 -2.524 3.514) 4.418 5.038 ( -0.470 -2.490 -0.555) 2.594 5.141 ( -0.868 2.667 -1.450) 3.157 5.264 ( 0.965 1.847 6.818) 7.129 5.367 ( -6.510 -2.556 2.782) 7.527 5.421 ( -2.940 -1.617 6.171) 7.024 5.567 ( -7.324 1.912 -1.059) 7.643 5.662 ( -6.163 -0.835 -2.176) 6.589 5.844 ( 4.345 -1.070 1.018) 4.590 5.883 ( 2.484 -2.202 3.587) 4.887 6.029 ( 1.138 2.369 4.786) 5.460 6.157 ( 6.890 2.821 -3.410) 8.189 6.257 ( 8.108 -7.057 2.126) 10.957 6.314 ( 4.789 -1.832 -4.643) 6.917 6.431 ( -1.091 1.392 0.819) 1.949 6.464 ( -0.263 0.343 2.879) 2.911 6.671 ( 7.731 1.805 5.103) 9.438 6.764 ( 0.880 2.814 -2.995) 4.203 6.838 ( 7.319 -0.913 1.799) 7.592 6.975 ( 3.225 0.594 -1.774) 3.728 7.027 ( 1.716 -2.525 -1.634) 3.462 7.066 ( 1.117 -1.776 0.839) 2.260 7.218 ( 3.108 3.820 -1.161) 5.060 7.234 ( -2.509 1.095 -0.754) 2.840 7.379 ( 0.349 -1.121 1.012) 1.550 7.443 ( -2.168 -3.695 2.384) 4.903 8.024 ( -22.990 -0.619 8.628) 24.564 8.164 ( -18.480 -3.476 6.945) 20.045 9.349 ( 7.557 0.299 -2.903) 8.100 9.407 ( 9.577 -0.627 -3.714) 10.291 9.605 ( 6.894 0.316 7.922) 10.506 9.610 ( -0.618 1.640 -3.883) 4.261 9.653 ( 6.983 -0.108 4.392) 8.250 9.685 ( -1.619 -0.280 -5.009) 5.272 10.062 ( -1.879 2.923 7.361) 8.140 10.201 ( -0.833 -0.892 6.461) 6.576 10.647 ( -2.991 0.324 -0.860) 3.129 10.687 ( -5.342 -0.363 -1.427) 5.541 10.697 ( -6.253 -0.273 -1.204) 6.373 10.700 ( -6.090 -0.160 -1.862) 6.370 11.687 ( 10.413 0.296 -3.778) 11.081 11.724 ( 12.429 -0.308 -2.707) 12.724 11.767 ( 4.713 0.974 2.859) 5.598 12.003 ( 15.071 -7.784 -6.728) 18.248 12.141 ( 0.730 2.394 10.421) 10.717 12.471 ( 2.450 -3.311 6.382) 7.596 12.992 ( -18.482 0.429 -1.155) 18.523 13.209 ( -17.482 -10.398 12.032) 23.633 14.000 ( 1.339 -0.160 0.944) 1.646 14.027 ( -0.878 0.720 3.249) 3.442 14.055 ( 6.259 -3.261 -4.658) 8.456 14.194 ( 1.008 -3.219 2.472) 4.182 14.626 ( 16.397 -0.516 5.505) 17.304 14.775 ( 10.395 -8.780 11.995) 18.139 15.462 ( -8.397 1.143 -3.602) 9.208 15.560 ( 1.281 0.887 -0.264) 1.581 15.581 ( -6.144 -0.754 -3.248) 6.991 15.708 ( 0.239 1.341 -0.200) 1.377 15.724 ( 4.265 -2.533 1.110) 5.083 15.896 ( 0.005 -2.651 0.188) 2.658 16.174 ( -1.115 1.919 -0.088) 2.221 16.213 ( 3.207 -0.484 1.186) 3.453 16.306 ( -0.472 -0.174 0.362) 0.620 16.413 ( -5.103 2.598 -2.510) 6.252 16.710 ( 9.774 3.186 -7.481) 12.714 16.952 ( 0.910 -0.404 -3.132) 3.286 17.256 ( -7.015 6.767 2.155) 9.982 17.348 ( -6.331 4.762 -2.883) 8.430 17.532 ( 3.969 2.763 -0.299) 4.845 17.804 ( 4.065 1.445 -10.772) 11.604 17.857 ( -0.453 2.826 -6.557) 7.154 18.105 ( -2.231 -2.885 -6.262) 7.247 ======================= Grid point 32 (15/45) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 9.770 9.359 4.376) 14.219 0.932 ( -11.178 5.476 4.513) 13.240 1.096 ( 14.963 1.897 6.934) 16.600 1.148 ( 5.010 -0.704 4.195) 6.572 1.187 ( 11.675 -0.216 1.728) 11.804 1.370 ( 0.453 -0.570 6.088) 6.131 1.425 ( -3.453 -3.357 -4.492) 6.586 1.476 ( -7.512 -2.400 4.234) 8.951 1.628 ( -1.995 1.154 4.409) 4.975 1.667 ( 7.140 1.388 6.545) 9.785 1.762 ( 11.787 0.533 5.442) 12.994 1.873 ( 12.720 0.154 1.716) 12.836 1.890 ( 5.576 -2.166 -0.234) 5.986 1.991 ( -0.586 1.072 -3.677) 3.875 2.096 ( -5.450 -0.005 -8.266) 9.901 2.124 ( 2.735 1.828 -3.606) 4.882 2.283 ( -11.708 -1.749 -3.272) 12.282 2.332 ( -0.138 -3.194 0.959) 3.338 2.528 ( -8.105 -2.533 4.728) 9.719 2.552 ( -10.964 4.293 3.869) 12.394 2.671 ( 1.543 -0.502 3.851) 4.179 2.757 ( -3.902 4.157 0.460) 5.720 2.927 ( 2.596 6.678 0.968) 7.230 2.979 ( -3.178 3.438 -1.799) 5.016 3.047 ( 1.670 -4.356 2.240) 5.175 3.121 ( -2.978 -2.767 -1.547) 4.349 3.253 ( 0.143 2.846 -5.905) 6.557 3.367 ( -4.124 2.434 -2.000) 5.189 3.479 ( -3.207 -5.231 0.038) 6.136 3.551 ( -0.706 -1.988 2.556) 3.314 3.577 ( 5.264 -2.571 -4.521) 7.400 3.668 ( -0.643 -4.113 -4.653) 6.244 3.746 ( 3.908 -1.858 -3.069) 5.305 3.763 ( 9.518 -0.562 -2.651) 9.896 3.927 ( -4.654 1.981 -2.089) 5.472 3.960 ( -3.153 1.584 -1.982) 4.047 4.018 ( -9.045 -0.678 -2.696) 9.462 4.086 ( 0.146 4.872 1.743) 5.177 4.175 ( 3.868 -2.883 -6.728) 8.279 4.292 ( 1.742 1.708 -4.653) 5.254 4.418 ( 2.762 -0.526 -2.009) 3.456 4.487 ( -2.999 0.371 -2.032) 3.642 4.503 ( 1.088 0.308 1.537) 1.908 4.532 ( -0.525 -2.142 0.419) 2.245 4.569 ( 1.807 1.451 -0.732) 2.430 4.680 ( -6.820 2.371 -3.125) 7.867 4.878 ( -0.551 -3.987 -0.259) 4.034 4.961 ( 0.813 -1.476 0.833) 1.879 5.027 ( -0.468 -2.173 2.212) 3.135 5.076 ( 7.608 -0.524 0.674) 7.656 5.121 ( -0.619 1.901 -0.691) 2.116 5.291 ( -0.388 -0.041 3.365) 3.388 5.320 ( 2.103 0.324 4.511) 4.988 5.333 ( -3.921 -2.133 7.615) 8.827 5.419 ( -6.169 2.085 4.958) 8.184 5.498 ( -8.956 0.458 4.749) 10.148 5.890 ( 1.333 -1.279 -1.453) 2.350 6.013 ( 6.053 0.197 1.467) 6.231 6.053 ( 2.707 0.114 3.427) 4.369 6.222 ( -5.504 -1.919 -0.109) 5.829 6.296 ( 4.527 0.315 -2.833) 5.349 6.396 ( 0.027 0.833 -0.243) 0.868 6.441 ( 2.736 -2.432 -3.426) 5.014 6.510 ( 2.560 -0.016 -0.798) 2.681 6.772 ( 1.328 2.771 -2.113) 3.729 6.794 ( 2.091 3.389 -0.383) 4.000 7.002 ( 8.085 -1.191 -1.651) 8.337 7.049 ( 3.979 -0.942 -1.878) 4.500 7.060 ( 1.452 -1.705 -2.071) 3.050 7.113 ( 4.035 -2.678 0.764) 4.903 7.171 ( -3.480 1.008 -0.254) 3.632 7.297 ( 2.496 1.976 0.091) 3.184 7.379 ( -2.979 -3.302 1.823) 4.806 7.462 ( 9.777 -1.543 4.054) 10.696 7.628 ( -15.461 3.494 7.177) 17.400 7.783 ( -19.644 -1.335 6.105) 20.614 9.466 ( 4.775 0.854 -4.843) 6.854 9.540 ( 3.632 -0.390 -4.204) 5.570 9.561 ( -1.965 1.176 -5.188) 5.671 9.631 ( -3.493 -0.459 -4.164) 5.454 9.793 ( 11.506 1.247 7.322) 13.695 9.896 ( 14.521 -0.960 5.262) 15.474 9.984 ( -7.167 2.268 6.602) 10.005 10.127 ( -8.108 -0.956 4.404) 9.276 10.584 ( -3.072 0.254 -0.770) 3.177 10.587 ( -2.644 0.412 -0.839) 2.804 10.610 ( -1.770 -0.298 -0.750) 1.945 10.626 ( -2.618 -0.412 -0.763) 2.758 11.823 ( 3.361 0.213 -1.382) 3.640 11.900 ( 4.857 3.198 -0.318) 5.824 11.978 ( 12.074 -1.551 -6.518) 13.808 12.140 ( 0.757 -3.504 -7.545) 8.354 12.246 ( 12.632 1.307 8.459) 15.259 12.536 ( 1.425 -4.924 9.245) 10.571 12.607 ( -16.704 0.003 4.213) 17.227 12.827 ( -18.246 -6.832 16.894) 25.788 14.001 ( -0.286 0.286 2.987) 3.014 14.015 ( -0.349 0.737 3.492) 3.586 14.183 ( 2.977 -5.618 -4.789) 7.960 14.225 ( 2.125 -5.701 -2.275) 6.496 14.956 ( 16.279 -0.934 2.404) 16.482 15.017 ( 16.617 -1.460 -0.343) 16.685 15.245 ( -13.918 0.750 -2.221) 14.114 15.340 ( -15.579 -1.298 -4.066) 16.153 15.645 ( 3.748 1.653 0.594) 4.140 15.699 ( -1.326 1.775 0.624) 2.302 15.809 ( 3.956 -2.828 0.739) 4.918 15.877 ( -1.941 -2.586 0.970) 3.376 16.174 ( 0.805 3.249 -0.770) 3.435 16.270 ( 0.370 1.310 1.917) 2.351 16.287 ( 0.579 -0.558 1.580) 1.773 16.340 ( -2.516 0.050 0.207) 2.525 16.855 ( 4.032 -0.681 -8.356) 9.303 16.994 ( 3.683 -0.031 -5.144) 6.326 17.173 ( -2.038 6.198 5.296) 8.403 17.221 ( -5.929 6.081 -0.766) 8.527 17.625 ( 5.712 2.590 -0.955) 6.344 17.739 ( -5.881 2.406 -1.934) 6.642 17.929 ( 3.498 -3.499 -9.886) 11.055 18.052 ( -2.714 -2.404 -6.961) 7.849 ======================= Grid point 35 (16/45) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.000 10.175 4.351) 11.066 0.753 ( 0.000 6.192 16.591) 17.709 0.938 ( 0.000 -3.837 13.313) 13.855 0.938 ( 0.000 1.442 3.827) 4.090 1.129 ( 0.000 9.462 9.778) 13.607 1.210 ( 0.000 2.394 -1.097) 2.634 1.321 ( 0.000 -7.713 -0.865) 7.761 1.333 ( 0.000 -1.061 -4.660) 4.779 1.487 ( 0.000 0.484 5.594) 5.615 1.599 ( 0.000 -3.970 1.933) 4.415 1.651 ( 0.000 1.931 5.799) 6.113 1.700 ( 0.000 -2.717 6.273) 6.836 1.961 ( 0.000 6.721 3.442) 7.551 1.964 ( 0.000 -0.942 5.445) 5.526 2.007 ( 0.000 -2.226 3.244) 3.934 2.149 ( 0.000 -7.362 -1.298) 7.476 2.368 ( 0.000 2.258 -1.617) 2.778 2.431 ( 0.000 -3.813 -2.580) 4.604 2.674 ( 0.000 2.637 1.238) 2.913 2.696 ( 0.000 2.106 0.639) 2.201 2.805 ( 0.000 -0.021 2.258) 2.258 2.818 ( 0.000 -0.579 1.351) 1.469 2.841 ( 0.000 4.407 5.503) 7.050 3.001 ( 0.000 -8.082 4.961) 9.483 3.096 ( 0.000 2.038 -0.432) 2.084 3.137 ( 0.000 -1.825 0.850) 2.014 3.349 ( 0.000 2.131 -8.750) 9.006 3.404 ( 0.000 -2.623 -9.317) 9.680 3.593 ( 0.000 5.295 -13.775) 14.758 3.613 ( 0.000 4.596 -1.935) 4.986 3.640 ( 0.000 0.782 -9.182) 9.215 3.689 ( 0.000 -1.832 -4.172) 4.557 3.768 ( 0.000 1.891 -1.905) 2.684 3.814 ( 0.000 -2.461 -4.707) 5.312 3.905 ( 0.000 -2.232 -3.770) 4.381 3.910 ( 0.000 -2.713 -6.682) 7.212 4.083 ( 0.000 2.756 -1.133) 2.980 4.103 ( 0.000 0.975 -3.828) 3.950 4.181 ( 0.000 -0.282 0.195) 0.343 4.208 ( 0.000 -2.329 0.353) 2.356 4.368 ( 0.000 1.230 -0.433) 1.304 4.428 ( 0.000 -4.468 1.581) 4.739 4.535 ( 0.000 6.145 7.823) 9.948 4.594 ( 0.000 -1.078 5.278) 5.388 4.610 ( 0.000 2.874 -2.875) 4.065 4.737 ( 0.000 -6.220 0.544) 6.244 4.905 ( 0.000 0.885 3.039) 3.165 4.938 ( 0.000 -0.848 2.980) 3.099 5.010 ( 0.000 -0.558 -7.313) 7.334 5.014 ( 0.000 -0.372 -7.429) 7.438 5.220 ( 0.000 3.657 1.519) 3.960 5.282 ( 0.000 -0.230 4.006) 4.013 5.371 ( 0.000 -2.592 0.047) 2.592 5.388 ( 0.000 -2.148 1.103) 2.414 5.647 ( 0.000 0.975 -5.543) 5.628 5.675 ( 0.000 -1.549 -7.643) 7.799 5.820 ( 0.000 2.887 8.282) 8.771 5.902 ( 0.000 -4.512 10.418) 11.353 5.993 ( 0.000 1.088 5.553) 5.659 6.019 ( 0.000 -1.048 7.074) 7.151 6.158 ( 0.000 3.177 -2.889) 4.295 6.216 ( 0.000 -2.146 -5.643) 6.038 6.485 ( 0.000 1.637 3.212) 3.605 6.509 ( 0.000 -0.726 4.490) 4.549 6.617 ( 0.000 3.325 3.753) 5.014 6.691 ( 0.000 -3.208 2.711) 4.200 6.851 ( 0.000 4.300 -2.341) 4.896 6.941 ( 0.000 -3.834 -2.437) 4.543 6.970 ( 0.000 1.843 0.280) 1.864 7.012 ( 0.000 -2.039 0.305) 2.062 7.285 ( 0.000 3.309 -0.578) 3.359 7.296 ( 0.000 2.605 0.100) 2.607 7.345 ( 0.000 -2.272 0.167) 2.278 7.372 ( 0.000 -4.257 1.405) 4.483 8.250 ( 0.000 -0.221 8.419) 8.422 8.280 ( 0.000 -2.111 3.878) 4.416 9.261 ( 0.000 0.180 -1.883) 1.892 9.263 ( 0.000 -0.008 -1.669) 1.669 9.547 ( 0.000 0.476 7.303) 7.319 9.559 ( 0.000 -0.529 7.194) 7.213 9.679 ( 0.000 0.826 -5.774) 5.833 9.693 ( 0.000 -0.519 -5.492) 5.516 10.136 ( 0.000 2.111 6.619) 6.948 10.176 ( 0.000 -1.563 7.378) 7.542 10.690 ( 0.000 0.832 -0.096) 0.837 10.716 ( 0.000 -1.757 1.241) 2.151 10.767 ( 0.000 0.194 -3.887) 3.892 10.772 ( 0.000 -0.233 -3.726) 3.733 11.581 ( 0.000 0.120 -2.757) 2.760 11.584 ( 0.000 -0.100 -2.771) 2.772 11.725 ( 0.000 0.070 3.215) 3.216 11.726 ( 0.000 0.026 3.207) 3.207 12.220 ( 0.000 4.856 9.667) 10.818 12.342 ( 0.000 -5.936 8.808) 10.622 13.204 ( 0.000 0.658 -3.657) 3.716 13.234 ( 0.000 -2.593 -1.585) 3.039 13.974 ( 0.000 0.481 -0.247) 0.541 13.991 ( 0.000 -1.344 2.782) 3.090 14.067 ( 0.000 1.705 3.651) 4.030 14.121 ( 0.000 -3.003 3.616) 4.700 14.458 ( 0.000 1.527 10.271) 10.383 14.504 ( 0.000 -2.929 11.443) 11.812 15.561 ( 0.000 2.293 -0.241) 2.305 15.598 ( 0.000 2.432 -2.702) 3.636 15.609 ( 0.000 -2.066 -0.483) 2.122 15.652 ( 0.000 -2.157 -1.982) 2.930 15.743 ( 0.000 2.332 -0.952) 2.518 15.810 ( 0.000 -3.679 -0.999) 3.812 16.163 ( 0.000 -0.224 1.073) 1.096 16.171 ( 0.000 -1.005 0.027) 1.006 16.354 ( 0.000 3.802 -0.112) 3.804 16.449 ( 0.000 -4.562 -0.581) 4.599 16.767 ( 0.000 8.218 -7.155) 10.896 16.896 ( 0.000 -3.835 -4.608) 5.995 17.401 ( 0.000 1.782 -0.269) 1.802 17.437 ( 0.000 -1.410 0.234) 1.429 17.635 ( 0.000 8.034 -4.891) 9.406 17.771 ( 0.000 -3.027 -10.549) 10.975 17.953 ( 0.000 3.491 -3.363) 4.847 18.042 ( 0.000 -4.372 -4.728) 6.440 ======================= Grid point 36 (17/45) ======================= q-point: ( 0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 8.446 11.306 0.585) 14.124 0.919 ( 9.573 8.044 8.469) 15.102 0.980 ( 10.096 -1.411 0.187) 10.196 1.055 ( 7.015 -1.382 7.253) 10.184 1.134 ( -1.392 0.420 0.793) 1.656 1.229 ( -4.450 -7.327 -3.643) 9.314 1.331 ( 15.060 4.598 10.092) 18.703 1.445 ( 6.506 -3.847 5.179) 9.162 1.521 ( 3.035 5.453 7.453) 9.721 1.577 ( -4.653 -0.085 4.554) 6.511 1.669 ( -0.944 -2.290 3.419) 4.222 1.709 ( 6.666 -4.418 1.148) 8.079 1.927 ( -0.579 4.908 1.402) 5.137 1.988 ( 0.638 -1.092 0.556) 1.382 2.086 ( 4.853 -1.607 2.323) 5.615 2.126 ( 0.987 -3.150 1.623) 3.679 2.313 ( -6.529 2.202 -4.613) 8.292 2.376 ( -5.634 -3.804 -5.356) 8.655 2.665 ( -2.272 0.931 3.974) 4.671 2.674 ( -3.074 0.820 3.718) 4.894 2.773 ( -2.332 2.732 0.782) 3.675 2.838 ( 1.132 -0.329 3.041) 3.262 2.870 ( 3.248 1.311 3.946) 5.276 3.007 ( 0.393 -7.014 4.452) 8.317 3.141 ( -0.763 4.654 -3.701) 5.995 3.184 ( -2.315 0.819 -3.400) 4.194 3.273 ( 2.525 1.185 -0.904) 2.932 3.356 ( -3.422 -3.964 -6.165) 8.089 3.535 ( -4.404 1.608 -6.330) 7.877 3.562 ( -5.203 -0.086 -7.546) 9.167 3.603 ( -2.506 4.407 -1.193) 5.208 3.629 ( -3.669 0.947 -3.142) 4.922 3.705 ( -4.987 -0.980 0.150) 5.085 3.728 ( -7.317 -3.699 -3.237) 8.815 3.956 ( 3.901 0.401 -6.971) 7.999 3.989 ( 6.538 -2.485 -8.988) 11.389 4.081 ( 0.723 2.320 -4.344) 4.977 4.103 ( -2.169 0.337 -4.465) 4.976 4.173 ( -0.938 1.910 0.267) 2.145 4.236 ( 1.934 -2.911 -0.410) 3.519 4.378 ( 1.143 0.894 -0.677) 1.601 4.427 ( 0.162 -3.818 1.003) 3.950 4.547 ( -0.624 2.162 5.592) 6.027 4.575 ( -1.856 -1.024 3.100) 3.756 4.617 ( 1.410 6.666 -3.329) 7.583 4.763 ( 1.821 -5.058 0.586) 5.408 4.872 ( -4.670 -0.100 0.451) 4.693 4.893 ( -4.721 -1.717 0.630) 5.063 4.974 ( 0.959 0.499 -1.394) 1.764 4.995 ( 0.519 -1.453 -1.840) 2.402 5.206 ( -1.118 3.181 -0.151) 3.375 5.271 ( -1.263 -2.258 2.992) 3.956 5.341 ( -2.320 1.254 4.884) 5.550 5.382 ( -2.764 -1.967 5.827) 6.743 5.608 ( -6.028 1.653 -2.473) 6.722 5.639 ( -5.069 -1.251 -3.087) 6.066 5.834 ( 2.712 0.230 2.974) 4.032 5.849 ( 2.429 -1.064 4.622) 5.329 6.067 ( 3.366 1.661 5.649) 6.782 6.128 ( 6.689 -4.288 4.625) 9.194 6.226 ( 6.118 3.029 -4.212) 8.021 6.278 ( 5.402 -1.767 -5.427) 7.859 6.452 ( -2.428 0.695 1.801) 3.102 6.465 ( -0.975 -0.346 2.601) 2.799 6.726 ( 8.569 2.944 3.467) 9.701 6.784 ( 7.991 -1.996 1.364) 8.348 6.863 ( 1.562 3.960 -1.725) 4.593 6.952 ( 1.201 -3.679 -2.381) 4.544 6.998 ( 2.312 0.872 -0.481) 2.517 7.027 ( 1.199 -1.634 0.169) 2.034 7.273 ( -2.290 2.584 0.355) 3.471 7.292 ( 1.362 2.911 -0.293) 3.227 7.342 ( -0.032 -2.690 1.176) 2.936 7.352 ( -1.623 -3.567 0.864) 4.013 8.042 ( -17.863 2.087 6.748) 19.209 8.098 ( -16.917 -2.804 5.195) 17.918 9.366 ( 8.361 1.072 -3.435) 9.102 9.389 ( 9.015 -0.979 -3.607) 9.759 9.614 ( 7.260 0.504 7.656) 10.563 9.624 ( 6.090 -0.208 5.543) 8.237 9.660 ( -0.204 0.717 -3.343) 3.425 9.676 ( -1.525 -0.617 -4.680) 4.960 10.124 ( -1.632 2.580 6.205) 6.915 10.172 ( -1.062 -1.782 6.251) 6.586 10.657 ( -3.032 0.619 -0.617) 3.155 10.673 ( -3.514 -0.764 -0.319) 3.610 10.695 ( -6.400 0.051 -2.439) 6.849 10.697 ( -6.340 -0.130 -2.481) 6.810 11.697 ( 10.560 0.656 -3.810) 11.245 11.713 ( 11.678 -0.692 -3.490) 12.208 11.799 ( 7.318 2.032 2.693) 8.058 11.865 ( 11.141 -4.449 0.743) 12.020 12.223 ( 0.641 5.125 10.482) 11.686 12.355 ( 1.390 -6.527 9.530) 11.634 13.007 ( -18.083 1.093 0.316) 18.119 13.054 ( -17.183 -3.865 4.683) 18.225 14.001 ( 1.821 0.259 0.333) 1.869 14.012 ( 3.233 -0.926 -1.023) 3.515 14.054 ( -0.957 1.933 3.353) 3.987 14.115 ( -0.529 -3.519 3.069) 4.699 14.629 ( 15.385 0.924 6.077) 16.567 14.667 ( 14.480 -2.674 7.149) 16.368 15.493 ( -8.426 1.697 -3.466) 9.268 15.534 ( -8.422 -1.959 -3.370) 9.281 15.619 ( 3.441 2.780 -0.018) 4.423 15.677 ( 3.425 -2.344 0.381) 4.168 15.753 ( 0.642 2.722 -0.205) 2.805 15.823 ( 0.621 -3.546 0.030) 3.600 16.182 ( 1.565 0.016 0.247) 1.584 16.193 ( 2.288 -0.999 0.466) 2.539 16.340 ( -1.314 2.800 0.602) 3.151 16.405 ( -3.803 -2.538 -0.301) 4.582 16.824 ( 4.883 5.809 -7.965) 11.001 16.921 ( 2.403 -2.847 -5.991) 7.055 17.353 ( -4.279 2.977 0.956) 5.300 17.393 ( -4.262 -0.516 0.208) 4.298 17.652 ( 2.098 7.174 -3.664) 8.324 17.787 ( 1.639 -4.078 -8.285) 9.378 17.917 ( -3.624 3.787 -3.152) 6.116 18.017 ( -2.609 -4.847 -4.574) 7.157 ======================= Grid point 37 (18/45) ======================= q-point: ( 0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 4.473 10.069 -0.078) 11.019 1.062 ( -4.548 5.838 0.619) 7.426 1.093 ( 4.427 -3.182 0.965) 5.536 1.156 ( 6.158 -0.294 -5.503) 8.264 1.198 ( 8.052 1.101 0.866) 8.173 1.251 ( 5.921 -6.018 0.881) 8.488 1.412 ( -7.207 0.147 5.247) 8.916 1.433 ( -6.356 -1.507 5.446) 8.505 1.661 ( 9.280 1.313 8.468) 12.631 1.708 ( 14.182 -3.126 6.774) 16.025 1.723 ( 4.750 3.935 6.221) 8.760 1.812 ( 2.276 -3.835 3.895) 5.922 1.950 ( 4.998 3.220 -2.731) 6.542 1.990 ( 2.727 -0.775 -6.002) 6.638 2.129 ( -11.159 2.691 -9.030) 14.605 2.168 ( -0.872 1.317 -3.662) 3.988 2.228 ( -1.448 -2.011 -2.123) 3.263 2.264 ( 7.941 -3.191 1.669) 8.720 2.496 ( -12.045 0.497 5.522) 13.260 2.542 ( -12.848 -2.821 4.744) 13.984 2.750 ( 1.011 5.077 1.363) 5.353 2.865 ( 1.177 -0.197 3.178) 3.395 2.890 ( -1.359 0.211 3.001) 3.301 3.019 ( 0.605 -5.393 4.259) 6.899 3.095 ( 1.126 8.605 -2.438) 9.014 3.160 ( -2.019 6.221 -0.523) 6.561 3.268 ( -1.325 -2.530 -4.891) 5.664 3.305 ( -3.032 -6.419 -1.988) 7.373 3.463 ( -2.985 2.078 -4.295) 5.628 3.506 ( -1.173 -1.902 -3.506) 4.157 3.527 ( -2.685 -0.002 -2.338) 3.561 3.584 ( -5.122 -3.682 -3.592) 7.259 3.723 ( 10.451 0.203 -0.085) 10.453 3.745 ( 9.924 -1.292 -1.378) 10.102 3.952 ( -11.289 1.342 -2.322) 11.603 3.990 ( -10.258 -1.792 -2.274) 10.659 4.024 ( 2.413 3.520 -4.605) 6.278 4.101 ( 3.702 -3.434 -6.250) 8.034 4.201 ( 2.204 4.906 0.700) 5.424 4.287 ( 2.357 -2.415 -1.493) 3.690 4.413 ( 2.254 0.432 -1.998) 3.043 4.446 ( 1.845 -2.610 0.045) 3.197 4.499 ( -3.113 0.701 -0.820) 3.295 4.517 ( -3.657 -0.808 0.324) 3.759 4.669 ( 3.161 5.986 -0.683) 6.803 4.741 ( -3.253 3.073 -0.941) 4.573 4.788 ( -2.566 -3.599 -1.315) 4.611 4.866 ( 0.818 -6.106 3.543) 7.106 5.018 ( 1.202 0.883 -1.127) 1.869 5.047 ( 4.250 -1.592 -0.162) 4.541 5.183 ( -1.087 3.404 0.407) 3.597 5.258 ( -0.239 -3.191 2.795) 4.249 5.311 ( -1.330 0.316 5.896) 6.052 5.319 ( -0.149 -0.292 4.580) 4.591 5.468 ( -6.555 2.066 4.766) 8.364 5.499 ( -6.999 -0.655 5.618) 8.999 5.899 ( 2.847 1.883 -1.093) 3.584 5.958 ( 5.778 -3.217 -0.019) 6.613 6.097 ( -0.181 2.403 4.384) 5.003 6.157 ( -2.311 -3.198 2.545) 4.695 6.327 ( 3.142 2.044 -4.566) 5.907 6.375 ( 3.576 -2.318 -4.471) 6.177 6.440 ( 0.592 1.982 0.287) 2.088 6.487 ( 1.918 -1.932 -0.008) 2.722 6.855 ( 2.461 4.380 -1.881) 5.365 6.884 ( 2.948 4.300 -0.794) 5.274 6.952 ( 3.860 -3.244 -1.309) 5.209 6.986 ( 2.232 -3.889 -1.235) 4.651 7.051 ( 3.565 0.122 -1.843) 4.015 7.065 ( 4.556 -1.321 -0.681) 4.792 7.208 ( -4.065 2.344 1.528) 4.935 7.270 ( -4.815 -3.205 3.665) 6.848 7.377 ( 6.337 2.111 -0.762) 6.723 7.423 ( 8.503 -2.035 1.659) 8.899 7.696 ( -15.605 2.686 6.483) 17.110 7.746 ( -17.436 -1.966 6.052) 18.561 9.492 ( 4.896 1.377 -4.680) 6.911 9.521 ( 5.033 -1.193 -4.208) 6.668 9.591 ( -3.607 1.356 -4.118) 5.640 9.616 ( -3.493 -0.939 -3.822) 5.263 9.828 ( 12.780 1.821 6.228) 14.333 9.867 ( 13.888 -1.621 5.477) 15.016 10.042 ( -7.862 2.747 5.223) 9.831 10.095 ( -8.031 -2.005 4.574) 9.457 10.591 ( -2.693 0.431 -0.763) 2.832 10.599 ( -2.604 0.659 -0.788) 2.799 10.602 ( -2.199 -0.457 -0.763) 2.372 10.614 ( -2.602 -0.665 -0.758) 2.790 11.851 ( 4.059 2.338 -3.965) 6.137 11.919 ( 6.749 -3.510 -6.723) 10.153 11.981 ( 7.864 3.866 -0.561) 8.781 12.060 ( 8.347 -3.501 -2.274) 9.333 12.296 ( 10.048 3.694 11.043) 15.380 12.410 ( 5.634 -6.189 11.492) 14.217 12.620 ( -20.750 1.330 5.545) 21.519 12.683 ( -19.034 -4.985 11.532) 22.806 14.021 ( 0.331 1.733 1.755) 2.488 14.040 ( -0.236 1.751 2.947) 3.436 14.079 ( 2.448 -3.625 -0.616) 4.418 14.105 ( -0.593 -4.405 1.553) 4.708 14.956 ( 17.691 0.839 0.492) 17.718 14.984 ( 17.908 -1.545 -0.448) 17.980 15.269 ( -14.698 1.441 -2.983) 15.067 15.305 ( -15.135 -1.744 -3.572) 15.649 15.695 ( 3.648 2.737 0.313) 4.572 15.751 ( -0.893 2.671 0.783) 2.923 15.755 ( 3.754 -2.345 0.528) 4.458 15.815 ( -1.553 -2.948 0.932) 3.460 16.215 ( 1.564 0.984 -1.018) 2.110 16.241 ( 2.238 -1.649 -0.224) 2.789 16.312 ( -1.324 1.274 2.214) 2.877 16.335 ( -2.826 -0.706 1.116) 3.119 16.905 ( 2.583 3.913 -10.668) 11.653 16.975 ( 2.581 -2.036 -9.366) 9.927 17.279 ( -2.637 3.367 4.245) 6.026 17.307 ( -3.428 1.097 2.922) 4.636 17.717 ( 4.401 5.362 -2.800) 7.481 17.817 ( -2.068 2.422 -4.146) 5.228 17.840 ( -0.781 -2.095 -4.824) 5.317 17.956 ( -2.981 -5.991 -4.119) 7.858 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 13.370) 13.370 0.910 ( 0.000 0.000 10.115) 10.115 1.090 ( 0.000 0.000 24.940) 24.940 1.174 ( 0.000 0.000 5.287) 5.287 1.198 ( 0.000 0.000 -1.803) 1.803 1.252 ( 0.000 0.000 7.889) 7.889 1.381 ( 0.000 0.000 -8.884) 8.884 1.484 ( 0.000 0.000 29.580) 29.580 1.619 ( 0.000 0.000 3.084) 3.084 1.700 ( 0.000 0.000 -6.494) 6.494 1.798 ( 0.000 0.000 7.524) 7.524 1.992 ( 0.000 0.000 19.859) 19.859 2.036 ( 0.000 0.000 10.828) 10.828 2.114 ( 0.000 0.000 4.726) 4.726 2.143 ( 0.000 0.000 -4.649) 4.649 2.186 ( 0.000 0.000 -4.746) 4.746 2.333 ( 0.000 0.000 3.095) 3.095 2.446 ( 0.000 0.000 -10.812) 10.812 2.490 ( 0.000 0.000 0.791) 0.791 2.613 ( 0.000 0.000 2.228) 2.228 2.850 ( 0.000 0.000 2.266) 2.266 2.880 ( 0.000 0.000 2.808) 2.808 2.894 ( 0.000 0.000 -1.210) 1.210 2.974 ( 0.000 0.000 7.166) 7.166 3.098 ( 0.000 0.000 -5.400) 5.400 3.201 ( 0.000 0.000 -4.751) 4.751 3.257 ( 0.000 0.000 -1.657) 1.657 3.272 ( 0.000 0.000 4.756) 4.756 3.318 ( 0.000 0.000 -5.890) 5.890 3.367 ( 0.000 0.000 -4.221) 4.221 3.536 ( 0.000 0.000 -7.933) 7.933 3.638 ( 0.000 0.000 0.314) 0.314 3.670 ( 0.000 0.000 -2.885) 2.885 3.756 ( 0.000 0.000 -8.310) 8.310 3.850 ( 0.000 0.000 -10.044) 10.044 3.873 ( 0.000 0.000 -4.653) 4.653 3.975 ( 0.000 0.000 -0.934) 0.934 4.109 ( 0.000 0.000 -6.691) 6.691 4.189 ( 0.000 0.000 -2.646) 2.646 4.246 ( 0.000 0.000 4.226) 4.226 4.306 ( 0.000 0.000 1.216) 1.216 4.339 ( 0.000 0.000 0.414) 0.414 4.590 ( 0.000 0.000 -5.106) 5.106 4.608 ( 0.000 0.000 -6.497) 6.497 4.616 ( 0.000 0.000 1.162) 1.162 4.675 ( 0.000 0.000 -1.183) 1.183 4.904 ( 0.000 0.000 0.771) 0.771 4.918 ( 0.000 0.000 -0.291) 0.291 4.981 ( 0.000 0.000 -5.813) 5.813 5.116 ( 0.000 0.000 1.403) 1.403 5.201 ( 0.000 0.000 0.481) 0.481 5.217 ( 0.000 0.000 0.701) 0.701 5.446 ( 0.000 0.000 -7.198) 7.198 5.499 ( 0.000 0.000 1.849) 1.849 5.547 ( 0.000 0.000 -5.499) 5.499 5.718 ( 0.000 0.000 -2.984) 2.984 5.855 ( 0.000 0.000 3.698) 3.698 5.879 ( 0.000 0.000 -3.039) 3.039 6.083 ( 0.000 0.000 3.795) 3.795 6.116 ( 0.000 0.000 8.816) 8.816 6.275 ( 0.000 0.000 3.862) 3.862 6.285 ( 0.000 0.000 0.078) 0.078 6.490 ( 0.000 0.000 6.098) 6.098 6.627 ( 0.000 0.000 4.785) 4.785 6.655 ( 0.000 0.000 -3.569) 3.569 6.656 ( 0.000 0.000 4.688) 4.688 6.872 ( 0.000 0.000 3.371) 3.371 6.915 ( 0.000 0.000 0.299) 0.299 7.014 ( 0.000 0.000 -2.998) 2.998 7.098 ( 0.000 0.000 -0.114) 0.114 7.110 ( 0.000 0.000 1.550) 1.550 7.236 ( 0.000 0.000 0.511) 0.511 7.436 ( 0.000 0.000 4.224) 4.224 7.590 ( 0.000 0.000 7.257) 7.257 8.338 ( 0.000 0.000 -1.990) 1.990 8.522 ( 0.000 0.000 -12.256) 12.256 9.226 ( 0.000 0.000 -0.542) 0.542 9.262 ( 0.000 0.000 1.174) 1.174 9.437 ( 0.000 0.000 -6.455) 6.455 9.590 ( 0.000 0.000 -5.511) 5.511 9.720 ( 0.000 0.000 10.405) 10.405 9.745 ( 0.000 0.000 9.770) 9.770 10.220 ( 0.000 0.000 8.649) 8.649 10.377 ( 0.000 0.000 7.877) 7.877 10.634 ( 0.000 0.000 -8.802) 8.802 10.644 ( 0.000 0.000 -2.078) 2.078 10.658 ( 0.000 0.000 -8.519) 8.519 10.817 ( 0.000 0.000 -3.841) 3.841 11.586 ( 0.000 0.000 3.593) 3.593 11.590 ( 0.000 0.000 3.423) 3.423 11.801 ( 0.000 0.000 4.076) 4.076 11.802 ( 0.000 0.000 4.066) 4.066 12.318 ( 0.000 0.000 10.073) 10.073 12.556 ( 0.000 0.000 4.512) 4.512 13.061 ( 0.000 0.000 -8.433) 8.433 13.220 ( 0.000 0.000 -15.366) 15.366 13.983 ( 0.000 0.000 3.587) 3.587 14.113 ( 0.000 0.000 4.159) 4.159 14.319 ( 0.000 0.000 6.700) 6.700 14.466 ( 0.000 0.000 11.545) 11.545 14.649 ( 0.000 0.000 11.841) 11.841 15.204 ( 0.000 0.000 -2.394) 2.394 15.429 ( 0.000 0.000 -6.271) 6.271 15.526 ( 0.000 0.000 1.184) 1.184 15.571 ( 0.000 0.000 -5.826) 5.826 15.690 ( 0.000 0.000 -1.848) 1.848 15.715 ( 0.000 0.000 1.925) 1.925 15.804 ( 0.000 0.000 -2.779) 2.779 16.172 ( 0.000 0.000 6.222) 6.222 16.177 ( 0.000 0.000 -1.737) 1.737 16.275 ( 0.000 0.000 6.115) 6.115 16.320 ( 0.000 0.000 -1.820) 1.820 16.547 ( 0.000 0.000 -2.385) 2.385 16.916 ( 0.000 0.000 -2.649) 2.649 17.202 ( 0.000 0.000 -2.702) 2.702 17.223 ( 0.000 0.000 -6.456) 6.456 17.429 ( 0.000 0.000 1.693) 1.693 17.514 ( 0.000 0.000 2.275) 2.275 17.771 ( 0.000 0.000 -4.800) 4.800 17.996 ( 0.000 0.000 -9.390) 9.390 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 4.002 0.000 11.733) 12.397 0.980 ( 7.768 0.000 5.696) 9.633 1.062 ( 1.187 0.000 18.258) 18.297 1.188 ( -6.526 0.000 2.214) 6.891 1.210 ( 3.379 0.000 1.145) 3.568 1.360 ( 12.676 0.000 0.217) 12.678 1.414 ( 3.330 0.000 -3.575) 4.885 1.545 ( 2.036 0.000 8.753) 8.986 1.697 ( 16.233 0.000 22.340) 27.614 1.784 ( -3.254 0.000 5.514) 6.402 1.786 ( 0.869 0.000 -1.596) 1.818 1.890 ( -11.479 0.000 4.811) 12.446 1.943 ( -2.384 0.000 13.704) 13.909 2.016 ( -9.653 0.000 -6.386) 11.574 2.091 ( -2.392 0.000 1.146) 2.652 2.176 ( -5.667 0.000 0.535) 5.693 2.332 ( 2.064 0.000 4.185) 4.667 2.367 ( -4.061 0.000 -5.023) 6.460 2.558 ( 2.637 0.000 0.999) 2.819 2.663 ( 3.386 0.000 -0.232) 3.394 2.796 ( -2.213 0.000 0.302) 2.234 2.829 ( -4.469 0.000 3.922) 5.946 2.873 ( -1.788 0.000 -1.712) 2.475 3.044 ( 4.153 0.000 1.446) 4.397 3.109 ( -7.779 0.000 -2.040) 8.042 3.137 ( -11.551 0.000 -4.399) 12.360 3.156 ( 3.110 0.000 2.010) 3.703 3.358 ( -0.697 0.000 -6.459) 6.496 3.385 ( 8.810 0.000 0.800) 8.846 3.428 ( 8.607 0.000 -6.170) 10.590 3.552 ( 0.790 0.000 -6.428) 6.476 3.620 ( -6.606 0.000 -5.653) 8.694 3.657 ( 3.109 0.000 1.559) 3.478 3.702 ( -0.963 0.000 -0.222) 0.988 3.902 ( 4.370 0.000 -10.027) 10.938 3.906 ( 0.828 0.000 -9.010) 9.048 3.965 ( -1.356 0.000 -3.952) 4.178 4.039 ( -5.451 0.000 -3.808) 6.649 4.108 ( -2.518 0.000 2.450) 3.513 4.198 ( -3.348 0.000 5.577) 6.505 4.347 ( 0.987 0.000 -0.854) 1.305 4.384 ( 4.969 0.000 -0.486) 4.993 4.485 ( -6.028 0.000 -6.087) 8.566 4.593 ( 1.005 0.000 -4.529) 4.640 4.618 ( -4.471 0.000 -3.133) 5.460 4.685 ( 0.535 0.000 2.181) 2.245 4.946 ( 2.957 0.000 -0.468) 2.994 4.979 ( 5.371 0.000 5.521) 7.703 4.985 ( -1.213 0.000 -1.934) 2.283 5.096 ( -0.764 0.000 0.580) 0.959 5.164 ( -3.456 0.000 -1.140) 3.639 5.334 ( 7.892 0.000 2.219) 8.198 5.342 ( -4.990 0.000 -4.404) 6.655 5.483 ( -7.063 0.000 -3.993) 8.114 5.556 ( 4.139 0.000 3.250) 5.262 5.704 ( -2.391 0.000 0.998) 2.591 5.911 ( 4.186 0.000 2.478) 4.865 5.922 ( 3.844 0.000 -2.236) 4.447 6.066 ( 0.247 0.000 1.115) 1.142 6.113 ( 1.272 0.000 9.198) 9.285 6.312 ( 1.488 0.000 -0.449) 1.554 6.335 ( 5.160 0.000 0.781) 5.219 6.460 ( -3.520 0.000 3.077) 4.676 6.530 ( -4.389 0.000 4.117) 6.018 6.658 ( 0.278 0.000 -3.547) 3.558 6.759 ( 3.974 0.000 3.485) 5.285 6.865 ( 0.682 0.000 -0.770) 1.029 6.946 ( 3.309 0.000 -0.175) 3.314 7.024 ( 0.515 0.000 -3.047) 3.090 7.116 ( 2.427 0.000 0.518) 2.481 7.149 ( 4.031 0.000 0.366) 4.048 7.206 ( -3.005 0.000 0.191) 3.011 7.446 ( 1.519 0.000 4.761) 4.998 7.582 ( -0.312 0.000 7.740) 7.746 8.093 ( -21.088 0.000 -0.459) 21.093 8.310 ( -18.522 0.000 -1.270) 18.566 9.306 ( 5.552 0.000 -2.157) 5.956 9.363 ( 7.525 0.000 -1.167) 7.615 9.436 ( -0.256 0.000 -6.050) 6.056 9.581 ( -1.086 0.000 -5.226) 5.338 9.775 ( 6.047 0.000 9.176) 10.989 9.807 ( 7.137 0.000 8.392) 11.016 10.192 ( -3.129 0.000 7.202) 7.852 10.338 ( -4.215 0.000 5.283) 6.758 10.600 ( -3.090 0.000 -6.476) 7.176 10.613 ( -2.878 0.000 -2.032) 3.523 10.623 ( -2.641 0.000 -4.975) 5.633 10.700 ( -7.364 0.000 -1.359) 7.488 11.672 ( 9.119 0.000 2.988) 9.596 11.725 ( 11.391 0.000 2.560) 11.676 11.829 ( 3.145 0.000 4.031) 5.112 11.980 ( 10.238 0.000 -1.268) 10.317 12.324 ( 1.167 0.000 10.012) 10.080 12.609 ( 5.769 0.000 5.106) 7.704 12.932 ( -12.285 0.000 -4.322) 13.023 13.298 ( 2.563 0.000 -13.181) 13.427 14.009 ( 2.033 0.000 2.720) 3.395 14.104 ( -0.821 0.000 4.393) 4.469 14.202 ( -15.299 0.000 10.434) 18.519 14.294 ( -2.414 0.000 4.189) 4.835 14.766 ( 9.228 0.000 8.089) 12.272 15.106 ( -5.182 0.000 2.032) 5.566 15.349 ( -7.401 0.000 -5.859) 9.439 15.487 ( -9.324 0.000 -6.514) 11.374 15.571 ( 4.253 0.000 1.482) 4.504 15.682 ( 0.575 0.000 -0.965) 1.123 15.818 ( 4.241 0.000 -0.668) 4.293 15.848 ( 2.844 0.000 -1.801) 3.366 16.173 ( 0.302 0.000 5.493) 5.501 16.257 ( 4.863 0.000 0.458) 4.885 16.311 ( 2.157 0.000 1.977) 2.927 16.338 ( 1.491 0.000 -0.948) 1.767 16.592 ( 6.990 0.000 -4.239) 8.175 16.938 ( 1.892 0.000 -2.383) 3.043 17.145 ( -3.538 0.000 1.401) 3.805 17.179 ( -4.450 0.000 -5.600) 7.153 17.533 ( 2.617 0.000 1.389) 2.963 17.565 ( 9.825 0.000 -5.299) 11.163 17.743 ( -2.868 0.000 -4.160) 5.053 17.964 ( -3.262 0.000 -9.514) 10.058 ======================= Grid point 52 (21/45) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 9.132 0.000 7.985) 12.131 0.971 ( -12.103 0.000 4.317) 12.850 1.163 ( 8.775 0.000 -2.045) 9.010 1.230 ( 15.282 0.000 5.100) 16.111 1.265 ( 0.303 0.000 -5.648) 5.656 1.489 ( 1.823 0.000 6.238) 6.499 1.565 ( -14.005 0.000 1.900) 14.133 1.582 ( -1.003 0.000 15.607) 15.640 1.649 ( 7.701 0.000 -0.647) 7.728 1.716 ( -6.893 0.000 0.757) 6.934 1.770 ( 6.801 0.000 -6.509) 9.413 1.901 ( 9.407 0.000 9.214) 13.168 1.934 ( 0.828 0.000 -3.583) 3.677 1.991 ( -11.005 0.000 4.865) 12.032 2.005 ( -5.169 0.000 -2.221) 5.626 2.146 ( 20.829 0.000 11.775) 23.927 2.206 ( -16.170 0.000 -4.717) 16.844 2.464 ( 10.738 0.000 2.743) 11.083 2.492 ( -11.845 0.000 4.240) 12.581 2.689 ( -8.843 0.000 5.701) 10.521 2.706 ( 1.678 0.000 -0.464) 1.741 2.773 ( -10.377 0.000 0.634) 10.397 2.837 ( 4.176 0.000 0.424) 4.198 2.892 ( -2.919 0.000 -2.302) 3.717 3.053 ( -1.642 0.000 -5.177) 5.431 3.060 ( -2.330 0.000 -4.845) 5.376 3.256 ( 6.511 0.000 7.412) 9.866 3.332 ( -1.051 0.000 -0.298) 1.092 3.470 ( -0.532 0.000 -6.612) 6.633 3.491 ( -5.263 0.000 -3.347) 6.238 3.567 ( 2.372 0.000 -3.035) 3.852 3.580 ( 4.562 0.000 -8.476) 9.626 3.698 ( 0.860 0.000 -2.915) 3.039 3.739 ( 1.617 0.000 -3.690) 4.029 3.873 ( -0.229 0.000 -4.369) 4.375 3.895 ( -3.329 0.000 -7.680) 8.371 4.027 ( 4.693 0.000 -9.016) 10.164 4.030 ( 3.206 0.000 -0.189) 3.212 4.097 ( -0.590 0.000 6.867) 6.892 4.132 ( -3.443 0.000 4.168) 5.406 4.374 ( 1.671 0.000 -3.413) 3.800 4.407 ( -2.262 0.000 -5.368) 5.825 4.454 ( 2.791 0.000 -0.779) 2.898 4.524 ( -4.841 0.000 -2.735) 5.560 4.641 ( 2.929 0.000 0.677) 3.007 4.672 ( -1.091 0.000 3.998) 4.144 4.934 ( -0.979 0.000 0.906) 1.334 4.973 ( -1.999 0.000 3.022) 3.623 5.084 ( 4.517 0.000 -0.612) 4.558 5.097 ( 3.377 0.000 0.969) 3.513 5.111 ( -1.857 0.000 -0.586) 1.947 5.256 ( -8.346 0.000 -3.200) 8.938 5.406 ( 2.228 0.000 0.755) 2.353 5.429 ( 2.009 0.000 3.943) 4.426 5.593 ( 0.004 0.000 8.441) 8.441 5.629 ( -4.215 0.000 7.053) 8.217 5.971 ( 1.713 0.000 1.109) 2.040 5.974 ( 1.263 0.000 1.292) 1.807 6.142 ( 5.685 0.000 -3.757) 6.814 6.165 ( 2.846 0.000 6.636) 7.220 6.310 ( -0.819 0.000 0.121) 0.828 6.356 ( -5.114 0.000 -1.741) 5.402 6.442 ( 3.915 0.000 -0.745) 3.986 6.486 ( -1.069 0.000 1.416) 1.774 6.672 ( 1.682 0.000 -4.190) 4.515 6.730 ( -4.049 0.000 -2.648) 4.838 6.960 ( 6.101 0.000 -3.662) 7.115 7.022 ( -0.572 0.000 -3.797) 3.839 7.032 ( 4.814 0.000 -0.798) 4.880 7.126 ( -4.480 0.000 -1.241) 4.648 7.196 ( 4.617 0.000 0.925) 4.709 7.226 ( 2.583 0.000 -1.149) 2.827 7.497 ( 3.866 0.000 4.784) 6.151 7.644 ( 9.491 0.000 9.255) 13.256 7.695 ( -17.990 0.000 4.395) 18.519 7.934 ( -19.289 0.000 5.837) 20.153 9.383 ( 2.765 0.000 -2.977) 4.063 9.421 ( -1.358 0.000 -4.710) 4.902 9.481 ( 4.652 0.000 -2.984) 5.527 9.547 ( -2.534 0.000 -4.278) 4.972 9.927 ( 9.270 0.000 6.756) 11.470 10.006 ( 12.113 0.000 4.485) 12.917 10.092 ( -7.406 0.000 5.484) 9.216 10.213 ( -8.995 0.000 2.567) 9.354 10.549 ( -1.498 0.000 -2.429) 2.854 10.557 ( -2.243 0.000 -1.576) 2.741 10.591 ( -0.456 0.000 -1.447) 1.517 10.610 ( -2.546 0.000 -1.247) 2.835 11.846 ( 6.621 0.000 2.167) 6.966 11.884 ( 1.655 0.000 3.449) 3.825 11.946 ( 10.093 0.000 0.844) 10.128 12.063 ( -1.468 0.000 -1.469) 2.077 12.406 ( 8.861 0.000 8.471) 12.259 12.653 ( -15.568 0.000 2.949) 15.845 12.790 ( 13.832 0.000 6.410) 15.245 13.118 ( -18.426 0.000 3.016) 18.671 14.083 ( 2.177 0.000 3.110) 3.797 14.090 ( -0.455 0.000 4.564) 4.587 14.107 ( 5.273 0.000 -3.149) 6.142 14.229 ( -4.775 0.000 -1.696) 5.067 14.986 ( 13.648 0.000 0.248) 13.650 15.075 ( 2.378 0.000 1.256) 2.689 15.188 ( -8.510 0.000 -3.348) 9.145 15.257 ( -14.042 0.000 -4.907) 14.874 15.650 ( 3.378 0.000 1.255) 3.604 15.687 ( -0.586 0.000 0.248) 0.637 15.863 ( 1.520 0.000 -0.677) 1.663 15.879 ( 0.192 0.000 -1.055) 1.072 16.198 ( 2.608 0.000 3.975) 4.754 16.262 ( -3.393 0.000 1.887) 3.883 16.344 ( 1.888 0.000 2.499) 3.132 16.359 ( 0.375 0.000 0.789) 0.873 16.792 ( 11.264 0.000 -7.530) 13.549 16.947 ( -3.253 0.000 -5.474) 6.367 17.089 ( -2.898 0.000 -0.464) 2.935 17.094 ( -1.931 0.000 2.788) 3.391 17.593 ( 3.848 0.000 -0.274) 3.857 17.672 ( -4.284 0.000 -2.458) 4.939 17.744 ( 8.281 0.000 -9.429) 12.550 17.877 ( -5.840 0.000 -9.774) 11.386 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 0.000 5.712 8.997) 10.657 0.935 ( 0.000 1.301 7.529) 7.640 1.113 ( 0.000 2.364 21.481) 21.610 1.194 ( 0.000 1.010 3.178) 3.335 1.200 ( 0.000 0.504 -1.351) 1.442 1.242 ( 0.000 -0.428 10.714) 10.723 1.345 ( 0.000 -2.797 -4.486) 5.286 1.479 ( 0.000 -0.635 23.114) 23.123 1.628 ( 0.000 -4.631 -3.355) 5.719 1.642 ( 0.000 1.733 3.064) 3.520 1.809 ( 0.000 -0.195 9.493) 9.495 1.949 ( 0.000 -6.080 7.159) 9.392 1.998 ( 0.000 1.625 14.250) 14.343 2.111 ( 0.000 -1.304 1.232) 1.794 2.118 ( 0.000 -2.038 -0.213) 2.049 2.193 ( 0.000 -0.001 2.481) 2.481 2.316 ( 0.000 0.036 -0.164) 0.168 2.414 ( 0.000 -2.328 -8.099) 8.427 2.595 ( 0.000 6.920 0.840) 6.971 2.644 ( 0.000 2.477 1.802) 3.063 2.856 ( 0.000 0.226 2.137) 2.149 2.874 ( 0.000 -0.528 3.040) 3.086 2.916 ( 0.000 0.901 3.066) 3.195 3.012 ( 0.000 3.853 2.681) 4.694 3.110 ( 0.000 0.665 -5.713) 5.752 3.227 ( 0.000 1.847 -6.633) 6.886 3.228 ( 0.000 -3.104 2.527) 4.003 3.240 ( 0.000 -1.861 0.317) 1.888 3.314 ( 0.000 0.204 -5.493) 5.497 3.412 ( 0.000 3.441 -4.730) 5.849 3.556 ( 0.000 1.748 -7.242) 7.450 3.604 ( 0.000 -2.578 -0.365) 2.604 3.695 ( 0.000 2.037 -2.127) 2.945 3.714 ( 0.000 -2.721 -8.780) 9.192 3.826 ( 0.000 -3.996 -6.769) 7.860 3.875 ( 0.000 0.229 -7.281) 7.285 3.966 ( 0.000 0.154 -2.456) 2.460 4.082 ( 0.000 -3.882 -1.045) 4.020 4.134 ( 0.000 2.049 -3.794) 4.312 4.288 ( 0.000 -1.559 1.281) 2.018 4.328 ( 0.000 -0.018 -1.353) 1.353 4.408 ( 0.000 8.041 1.151) 8.123 4.502 ( 0.000 -4.772 -4.979) 6.896 4.633 ( 0.000 1.548 2.262) 2.741 4.654 ( 0.000 0.390 0.744) 0.840 4.694 ( 0.000 2.214 -7.621) 7.936 4.898 ( 0.000 -0.731 -0.391) 0.829 4.914 ( 0.000 -0.414 -1.124) 1.198 4.958 ( 0.000 -1.406 -4.763) 4.966 5.126 ( 0.000 -6.427 4.280) 7.722 5.161 ( 0.000 3.630 0.880) 3.735 5.246 ( 0.000 2.044 -1.566) 2.575 5.402 ( 0.000 -2.799 -6.829) 7.381 5.464 ( 0.000 -2.864 0.729) 2.955 5.540 ( 0.000 -0.574 -5.071) 5.104 5.619 ( 0.000 -4.771 -1.940) 5.151 5.898 ( 0.000 3.676 5.023) 6.225 6.002 ( 0.000 6.586 -2.676) 7.109 6.069 ( 0.000 -0.286 4.135) 4.144 6.150 ( 0.000 1.893 7.561) 7.794 6.214 ( 0.000 -3.253 2.421) 4.055 6.286 ( 0.000 -3.317 7.881) 8.551 6.458 ( 0.000 -0.239 1.910) 1.925 6.601 ( 0.000 -1.589 2.423) 2.898 6.676 ( 0.000 1.476 4.394) 4.635 6.699 ( 0.000 3.164 -2.333) 3.931 6.830 ( 0.000 -2.607 2.238) 3.435 6.951 ( 0.000 2.110 1.744) 2.738 6.958 ( 0.000 -3.453 -3.226) 4.726 7.082 ( 0.000 -1.536 2.076) 2.582 7.181 ( 0.000 4.504 -1.024) 4.619 7.249 ( 0.000 1.187 0.164) 1.198 7.423 ( 0.000 -1.103 4.510) 4.643 7.544 ( 0.000 -3.963 6.809) 7.879 8.332 ( 0.000 -0.471 -1.575) 1.644 8.426 ( 0.000 -6.111 -5.317) 8.100 9.231 ( 0.000 0.415 -0.363) 0.551 9.258 ( 0.000 -0.261 1.076) 1.107 9.486 ( 0.000 3.193 -7.463) 8.117 9.586 ( 0.000 -0.432 -5.601) 5.618 9.722 ( 0.000 0.205 10.274) 10.276 9.742 ( 0.000 -0.216 9.777) 9.780 10.240 ( 0.000 1.722 8.117) 8.298 10.365 ( 0.000 -1.047 7.828) 7.898 10.635 ( 0.000 0.094 -8.622) 8.623 10.652 ( 0.000 0.764 -2.095) 2.230 10.655 ( 0.000 -0.272 -8.554) 8.558 10.780 ( 0.000 -2.832 -2.270) 3.629 11.586 ( 0.000 0.027 3.623) 3.623 11.590 ( 0.000 -0.053 3.472) 3.473 11.803 ( 0.000 0.077 4.107) 4.108 11.803 ( 0.000 0.078 4.107) 4.107 12.343 ( 0.000 2.278 9.881) 10.140 12.552 ( 0.000 -0.834 4.748) 4.821 13.065 ( 0.000 0.351 -8.459) 8.466 13.183 ( 0.000 -3.044 -12.804) 13.161 13.995 ( 0.000 1.153 4.164) 4.321 14.119 ( 0.000 0.637 4.479) 4.524 14.287 ( 0.000 -2.721 6.367) 6.924 14.354 ( 0.000 -9.566 12.695) 15.895 14.659 ( 0.000 0.923 11.971) 12.007 14.923 ( 0.000 -13.179 11.123) 17.246 15.452 ( 0.000 1.404 -6.369) 6.522 15.526 ( 0.000 1.458 0.481) 1.535 15.562 ( 0.000 -0.885 -6.084) 6.148 15.688 ( 0.000 -0.137 -1.852) 1.857 15.702 ( 0.000 -0.979 1.675) 1.940 15.856 ( 0.000 -1.507 -2.775) 3.158 16.177 ( 0.000 -0.008 -0.814) 0.815 16.210 ( 0.000 1.225 1.264) 1.760 16.278 ( 0.000 -0.047 -0.892) 0.894 16.415 ( 0.000 10.157 0.218) 10.160 16.500 ( 0.000 -3.535 -2.843) 4.536 16.894 ( 0.000 -2.450 -2.855) 3.762 17.279 ( 0.000 4.374 -5.959) 7.392 17.371 ( 0.000 8.328 -7.854) 11.447 17.461 ( 0.000 2.808 0.854) 2.936 17.526 ( 0.000 1.981 0.560) 2.059 17.799 ( 0.000 2.360 -5.062) 5.585 17.974 ( 0.000 -1.944 -8.712) 8.926 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 3.621 5.218 7.163) 9.573 0.989 ( 6.303 -0.008 4.124) 7.532 1.074 ( -0.852 1.055 14.489) 14.552 1.172 ( -4.500 -0.640 -2.046) 4.984 1.220 ( 2.133 0.452 5.794) 6.191 1.319 ( 5.075 -3.698 0.094) 6.280 1.421 ( 10.451 0.857 1.610) 10.609 1.552 ( 2.149 1.703 7.772) 8.242 1.673 ( 12.118 -2.208 14.351) 18.912 1.710 ( -3.382 -3.250 1.379) 4.889 1.839 ( 4.899 0.066 9.717) 10.883 1.865 ( -6.431 -1.848 4.889) 8.287 1.938 ( -4.290 1.052 8.978) 10.006 2.034 ( -6.658 1.199 -4.345) 8.040 2.054 ( -3.662 -1.858 1.135) 4.260 2.202 ( -4.798 1.085 0.181) 4.922 2.283 ( 0.346 -2.595 3.249) 4.172 2.360 ( -4.009 -1.889 -3.321) 5.538 2.628 ( 2.380 5.610 2.002) 6.415 2.695 ( 3.762 2.168 1.065) 4.471 2.791 ( -4.636 -0.272 0.941) 4.738 2.863 ( -3.457 3.269 2.790) 5.515 2.902 ( -1.513 1.180 -2.379) 3.056 3.016 ( -0.716 -1.359 0.059) 1.537 3.120 ( -0.788 0.750 0.067) 1.090 3.156 ( -3.799 0.523 0.376) 3.853 3.160 ( -6.105 1.037 -3.702) 7.214 3.311 ( 3.626 -2.758 -3.522) 5.759 3.409 ( 6.176 -1.468 -5.836) 8.624 3.415 ( 1.686 1.052 -5.308) 5.668 3.547 ( -1.131 0.795 -4.518) 4.725 3.631 ( -0.106 -1.036 1.030) 1.465 3.654 ( 0.340 0.994 -3.435) 3.592 3.704 ( -2.146 0.093 -0.511) 2.208 3.840 ( 3.044 -3.023 -11.267) 12.056 3.893 ( 0.845 -4.111 -4.548) 6.189 3.961 ( -0.547 1.189 -6.322) 6.456 4.038 ( 0.203 -2.299 2.478) 3.386 4.078 ( -4.757 2.766 -3.921) 6.756 4.272 ( -3.094 0.932 1.357) 3.505 4.347 ( 1.976 -0.386 -1.034) 2.264 4.422 ( 2.113 5.068 -0.929) 5.569 4.458 ( -2.898 -2.563 -6.038) 7.171 4.586 ( -3.032 0.681 0.511) 3.149 4.628 ( -1.785 0.411 -0.483) 1.894 4.718 ( 0.144 2.512 -1.859) 3.128 4.909 ( -0.506 -3.461 -2.163) 4.112 4.973 ( 5.008 -0.686 5.188) 7.243 4.981 ( 1.767 0.058 -0.533) 1.847 5.106 ( -2.039 -0.861 -1.896) 2.914 5.124 ( -1.296 -2.143 3.336) 4.171 5.298 ( -4.663 -2.002 -5.748) 7.668 5.375 ( 7.397 2.458 1.878) 8.018 5.483 ( -4.813 0.064 -2.749) 5.543 5.539 ( 3.716 -1.777 2.122) 4.634 5.651 ( 1.357 -3.315 -0.704) 3.650 5.893 ( -0.298 1.378 1.995) 2.443 6.007 ( -0.377 0.660 7.867) 7.904 6.064 ( 3.201 3.467 -4.157) 6.289 6.154 ( 1.085 2.155 7.753) 8.120 6.265 ( 3.289 -2.600 0.217) 4.198 6.326 ( 2.438 -2.853 4.226) 5.652 6.445 ( -1.488 0.171 0.700) 1.653 6.522 ( -4.329 -0.814 2.999) 5.329 6.693 ( 0.385 3.056 -3.623) 4.756 6.766 ( 4.111 0.648 2.845) 5.041 6.852 ( 2.764 -0.994 -1.013) 3.107 6.951 ( 1.659 -0.657 -1.079) 2.085 6.990 ( 1.607 -1.265 -1.734) 2.681 7.092 ( 1.158 -1.845 1.631) 2.721 7.200 ( 0.949 3.038 -1.707) 3.612 7.228 ( -0.352 2.269 0.849) 2.448 7.431 ( 1.129 -1.300 4.670) 4.978 7.532 ( -0.714 -4.169 7.420) 8.541 8.102 ( -19.151 0.902 0.565) 19.181 8.259 ( -16.064 -3.634 0.688) 16.485 9.304 ( 5.572 0.218 -1.687) 5.826 9.357 ( 7.340 -0.538 -1.283) 7.470 9.479 ( -0.783 2.963 -6.466) 7.156 9.577 ( -1.011 -0.354 -5.284) 5.391 9.777 ( 6.089 0.226 9.105) 10.956 9.803 ( 6.974 -0.335 8.475) 10.981 10.210 ( -3.321 1.582 6.681) 7.627 10.327 ( -4.118 -0.946 5.332) 6.803 10.602 ( -2.991 0.139 -6.339) 7.010 10.618 ( -2.799 0.171 -3.128) 4.201 10.622 ( -2.878 0.134 -3.911) 4.858 10.688 ( -6.287 -1.020 -1.289) 6.498 11.673 ( 8.768 0.144 2.795) 9.204 11.717 ( 10.791 -0.738 2.413) 11.082 11.841 ( 4.255 1.063 4.160) 6.045 11.955 ( 9.934 -1.972 0.684) 10.151 12.349 ( 1.146 2.346 9.857) 10.197 12.590 ( 4.075 -1.874 5.298) 6.942 12.942 ( -11.766 1.003 -4.132) 12.511 13.220 ( -0.295 -6.348 -8.730) 10.798 14.015 ( 1.747 0.594 2.984) 3.508 14.108 ( -1.209 0.322 4.808) 4.968 14.154 ( -10.329 -3.417 9.288) 14.305 14.265 ( -2.530 -2.645 4.601) 5.880 14.765 ( 8.960 0.080 8.268) 12.192 14.971 ( 2.874 -8.437 7.163) 11.434 15.363 ( -7.994 1.129 -6.030) 10.077 15.472 ( -9.428 -1.370 -6.394) 11.474 15.576 ( 4.559 1.124 0.845) 4.771 15.697 ( 1.199 1.373 -0.853) 2.013 15.745 ( 3.867 -2.784 0.570) 4.799 15.887 ( 1.332 -1.380 -1.191) 2.258 16.173 ( -0.113 0.208 0.777) 0.812 16.260 ( 4.150 -1.063 2.385) 4.903 16.305 ( 2.032 0.526 -0.423) 2.141 16.372 ( -2.398 3.186 -0.457) 4.014 16.582 ( 6.335 0.612 -4.811) 7.978 16.884 ( -0.568 -3.512 -3.434) 4.945 17.242 ( -3.882 5.665 -6.340) 9.347 17.298 ( -2.976 7.484 0.613) 8.077 17.537 ( 3.093 0.676 0.797) 3.265 17.601 ( 7.647 2.557 -6.528) 10.374 17.770 ( -2.898 2.296 -4.525) 5.843 17.946 ( -2.849 -1.684 -8.875) 9.472 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 7.088 3.978 3.837) 8.988 1.008 ( -8.627 2.647 2.716) 9.423 1.126 ( 6.115 -2.620 -2.526) 7.116 1.180 ( 7.976 -2.483 -0.300) 8.359 1.287 ( 3.895 -0.339 -1.530) 4.198 1.372 ( 0.635 -7.236 9.706) 12.123 1.538 ( -7.109 -0.361 4.476) 8.409 1.561 ( -5.618 -3.567 3.931) 7.729 1.712 ( 12.263 3.790 0.971) 12.872 1.753 ( -0.980 4.512 0.274) 4.625 1.820 ( 3.238 1.707 2.498) 4.431 1.901 ( 3.853 0.222 2.441) 4.567 1.922 ( 1.945 -0.293 -0.297) 1.989 1.985 ( -3.625 -0.748 1.991) 4.203 2.000 ( -7.914 0.120 4.216) 8.968 2.151 ( 8.797 0.159 6.164) 10.743 2.208 ( -6.698 0.030 -1.769) 6.927 2.387 ( 5.006 -3.425 3.961) 7.244 2.595 ( -10.166 2.675 2.096) 10.719 2.633 ( -9.273 -3.287 3.389) 10.405 2.719 ( 0.436 0.223 1.061) 1.168 2.767 ( -2.409 5.365 0.313) 5.889 2.936 ( -1.175 2.093 -2.839) 3.718 2.945 ( 2.276 5.282 0.433) 5.768 3.044 ( -3.134 0.462 -3.301) 4.576 3.068 ( -3.348 0.677 -2.732) 4.374 3.226 ( 4.789 -1.845 3.764) 6.364 3.314 ( -0.289 -2.535 -3.945) 4.698 3.422 ( -0.722 -2.519 -3.183) 4.123 3.490 ( -1.177 -1.621 -3.397) 3.944 3.539 ( -1.200 -1.677 -2.637) 3.348 3.556 ( -0.594 -1.861 -5.854) 6.172 3.681 ( 3.174 -0.356 -3.998) 5.117 3.758 ( 1.488 1.436 -2.105) 2.951 3.865 ( 0.890 -0.209 -7.771) 7.825 3.922 ( 1.914 -0.513 0.212) 1.992 4.011 ( -1.980 -0.360 0.535) 2.083 4.025 ( 2.711 -1.259 -4.457) 5.367 4.045 ( 1.399 0.614 -4.215) 4.483 4.213 ( -2.251 2.535 2.141) 4.010 4.382 ( 1.290 0.244 -3.343) 3.592 4.399 ( -1.378 0.285 -4.770) 4.973 4.491 ( 2.427 1.741 -1.668) 3.421 4.522 ( -2.624 -0.576 -1.028) 2.877 4.626 ( 0.969 1.366 3.820) 4.171 4.693 ( -1.943 1.224 1.654) 2.830 4.876 ( -1.868 -5.146 0.052) 5.474 4.975 ( -1.341 0.695 1.959) 2.474 5.061 ( 3.288 -2.431 1.261) 4.279 5.081 ( -0.236 1.398 -1.992) 2.445 5.127 ( 1.849 -1.397 2.617) 3.496 5.250 ( -3.482 -0.753 -3.022) 4.671 5.425 ( 1.505 1.238 2.021) 2.807 5.455 ( 1.014 2.567 3.974) 4.839 5.543 ( -2.551 -3.335 7.597) 8.680 5.642 ( -1.568 0.254 5.813) 6.026 5.904 ( 0.735 -0.911 1.109) 1.612 6.056 ( 5.031 -0.843 3.441) 6.153 6.121 ( 0.091 2.785 -0.505) 2.832 6.188 ( 2.180 0.449 2.508) 3.353 6.265 ( -2.285 -2.618 -0.506) 3.512 6.368 ( 1.782 -0.431 -0.928) 2.055 6.417 ( -1.062 -0.875 0.409) 1.436 6.493 ( 0.537 -0.303 -0.530) 0.813 6.702 ( 0.524 3.017 -4.082) 5.103 6.775 ( -1.548 3.429 -2.269) 4.393 6.948 ( 5.088 -1.112 -3.670) 6.372 6.996 ( 0.327 -2.384 -3.733) 4.441 7.021 ( 3.002 -0.578 -1.294) 3.320 7.130 ( 2.390 -3.347 0.598) 4.156 7.159 ( -2.581 2.460 -0.783) 3.650 7.294 ( 3.856 3.585 -0.776) 5.322 7.443 ( -0.443 -3.844 4.801) 6.166 7.590 ( 8.469 -3.723 8.047) 12.262 7.754 ( -13.985 3.662 5.204) 15.364 7.921 ( -16.825 -1.174 6.448) 18.056 9.383 ( 2.518 0.553 -3.284) 4.174 9.458 ( -1.211 2.487 -4.344) 5.150 9.470 ( 4.154 -0.945 -3.205) 5.331 9.546 ( -2.110 -0.143 -4.069) 4.586 9.933 ( 9.576 0.600 6.488) 11.582 9.997 ( 11.854 -0.747 4.667) 12.762 10.106 ( -7.670 1.214 5.021) 9.247 10.204 ( -8.890 -0.811 2.691) 9.323 10.553 ( -1.385 0.361 -2.327) 2.732 10.562 ( -2.226 0.475 -1.502) 2.727 10.587 ( -0.524 -0.355 -1.519) 1.646 10.605 ( -2.491 -0.431 -1.258) 2.824 11.821 ( 4.426 -0.912 1.841) 4.880 11.915 ( 7.717 -2.343 0.269) 8.069 11.937 ( 4.417 3.246 3.323) 6.410 12.066 ( 1.642 0.012 0.009) 1.642 12.427 ( 8.347 1.965 8.543) 12.104 12.663 ( -12.540 0.599 3.917) 13.152 12.725 ( 6.381 -4.465 6.003) 9.833 13.056 ( -13.666 -5.878 4.842) 15.644 14.076 ( 0.739 -0.405 3.921) 4.011 14.092 ( 5.234 -0.735 -1.417) 5.472 14.099 ( -0.067 0.215 3.634) 3.641 14.201 ( -4.392 -2.391 -0.288) 5.009 14.979 ( 13.260 -0.519 0.694) 13.289 15.038 ( 5.451 -2.588 1.717) 6.273 15.188 ( -9.569 0.120 -3.412) 10.160 15.244 ( -13.737 -1.025 -4.886) 14.616 15.657 ( 3.017 0.988 0.494) 3.213 15.713 ( 0.159 2.086 0.759) 2.225 15.814 ( 2.839 -2.630 -0.417) 3.892 15.887 ( -0.921 -1.381 -0.218) 1.674 16.172 ( -0.027 0.191 0.747) 0.772 16.322 ( 0.581 1.640 2.131) 2.751 16.325 ( 1.084 -1.243 2.261) 2.798 16.351 ( 0.078 0.072 1.742) 1.745 16.687 ( 3.373 -3.215 -8.102) 9.347 16.891 ( 1.158 -5.861 -4.565) 7.519 17.160 ( -3.468 9.240 -5.078) 11.100 17.273 ( -0.336 6.977 4.261) 8.182 17.605 ( 4.183 1.329 -0.864) 4.473 17.687 ( -3.474 1.368 -3.165) 4.894 17.743 ( 4.602 -0.281 -7.728) 8.998 17.875 ( -4.062 -0.569 -9.445) 10.297 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.000 6.732 0.008) 6.732 0.923 ( 0.000 -2.716 -2.875) 3.955 1.181 ( 0.000 1.949 14.823) 14.951 1.192 ( 0.000 -0.644 -0.511) 0.822 1.217 ( 0.000 0.921 7.405) 7.462 1.240 ( 0.000 -0.436 16.060) 16.066 1.309 ( 0.000 1.559 1.488) 2.155 1.408 ( 0.000 -5.575 9.822) 11.294 1.614 ( 0.000 3.574 5.654) 6.689 1.674 ( 0.000 0.241 5.472) 5.478 1.788 ( 0.000 -1.166 7.526) 7.615 1.815 ( 0.000 -5.004 4.071) 6.451 2.053 ( 0.000 1.810 2.326) 2.947 2.076 ( 0.000 -1.398 1.097) 1.777 2.094 ( 0.000 1.351 8.810) 8.913 2.160 ( 0.000 -2.943 6.756) 7.369 2.334 ( 0.000 1.264 -2.249) 2.580 2.367 ( 0.000 -1.794 -4.214) 4.580 2.700 ( 0.000 2.126 1.185) 2.434 2.707 ( 0.000 2.268 0.159) 2.273 2.854 ( 0.000 -0.061 1.836) 1.837 2.861 ( 0.000 -0.579 2.922) 2.979 2.975 ( 0.000 4.936 6.305) 8.008 3.087 ( 0.000 -3.866 1.563) 4.170 3.094 ( 0.000 3.424 1.807) 3.871 3.172 ( 0.000 -3.678 1.464) 3.958 3.188 ( 0.000 0.434 -3.791) 3.816 3.226 ( 0.000 -1.882 -7.314) 7.553 3.374 ( 0.000 4.677 -7.745) 9.048 3.456 ( 0.000 -1.469 -8.121) 8.253 3.577 ( 0.000 1.647 -1.630) 2.317 3.605 ( 0.000 1.939 -4.353) 4.766 3.661 ( 0.000 -1.410 -8.938) 9.049 3.717 ( 0.000 -4.206 -4.864) 6.430 3.755 ( 0.000 2.354 -5.337) 5.833 3.828 ( 0.000 -3.543 -3.499) 4.979 3.999 ( 0.000 1.946 -5.009) 5.374 4.032 ( 0.000 -1.349 -3.967) 4.190 4.189 ( 0.000 2.694 0.663) 2.774 4.244 ( 0.000 -2.359 1.771) 2.950 4.336 ( 0.000 1.382 -2.884) 3.198 4.400 ( 0.000 -4.233 -4.014) 5.833 4.563 ( 0.000 5.381 -1.829) 5.683 4.636 ( 0.000 -1.839 -0.041) 1.840 4.687 ( 0.000 3.578 4.272) 5.572 4.736 ( 0.000 0.648 -4.137) 4.187 4.869 ( 0.000 -1.350 -5.718) 5.875 4.886 ( 0.000 -2.563 -4.516) 5.193 4.944 ( 0.000 0.233 0.166) 0.286 4.981 ( 0.000 -4.381 5.404) 6.957 5.254 ( 0.000 4.482 -0.177) 4.485 5.302 ( 0.000 2.547 -3.191) 4.083 5.348 ( 0.000 -2.245 -1.261) 2.575 5.390 ( 0.000 -3.672 -0.418) 3.695 5.529 ( 0.000 -0.208 -4.670) 4.675 5.545 ( 0.000 -1.990 -3.444) 3.977 6.002 ( 0.000 5.593 6.798) 8.803 6.081 ( 0.000 1.290 2.735) 3.024 6.096 ( 0.000 1.181 -2.730) 2.975 6.131 ( 0.000 -5.244 7.915) 9.494 6.178 ( 0.000 0.453 7.060) 7.074 6.189 ( 0.000 -2.383 9.444) 9.740 6.499 ( 0.000 2.899 -0.852) 3.021 6.559 ( 0.000 -2.383 0.578) 2.453 6.714 ( 0.000 2.021 3.755) 4.264 6.758 ( 0.000 -0.816 1.742) 1.924 6.795 ( 0.000 2.363 -2.326) 3.316 6.878 ( 0.000 -3.922 -3.738) 5.418 6.996 ( 0.000 2.016 2.358) 3.102 7.040 ( 0.000 -2.069 2.418) 3.182 7.267 ( 0.000 2.933 -1.843) 3.464 7.284 ( 0.000 1.441 -1.540) 2.109 7.398 ( 0.000 -0.503 6.281) 6.301 7.443 ( 0.000 -4.374 6.878) 8.151 8.322 ( 0.000 -0.253 -0.655) 0.702 8.336 ( 0.000 -1.988 -0.596) 2.075 9.242 ( 0.000 0.513 0.093) 0.521 9.251 ( 0.000 -0.372 0.643) 0.743 9.542 ( 0.000 1.874 -6.846) 7.098 9.571 ( 0.000 -0.927 -5.980) 6.051 9.728 ( 0.000 0.334 10.018) 10.023 9.736 ( 0.000 -0.340 9.838) 9.844 10.286 ( 0.000 2.269 7.629) 7.960 10.332 ( 0.000 -1.909 7.675) 7.908 10.639 ( 0.000 0.298 -8.671) 8.676 10.647 ( 0.000 -0.392 -8.633) 8.642 10.677 ( 0.000 1.513 -1.579) 2.187 10.719 ( 0.000 -2.429 -1.257) 2.735 11.587 ( 0.000 0.050 3.631) 3.631 11.588 ( 0.000 -0.066 3.568) 3.569 11.804 ( 0.000 0.067 4.151) 4.152 11.805 ( 0.000 0.048 4.141) 4.142 12.414 ( 0.000 4.062 8.991) 9.866 12.504 ( 0.000 -3.609 6.832) 7.727 13.079 ( 0.000 1.026 -8.610) 8.671 13.116 ( 0.000 -2.541 -9.521) 9.854 14.038 ( 0.000 3.084 6.306) 7.020 14.133 ( 0.000 -2.789 8.419) 8.869 14.167 ( 0.000 -2.343 6.976) 7.359 14.216 ( 0.000 -3.386 5.613) 6.555 14.690 ( 0.000 2.000 12.300) 12.462 14.753 ( 0.000 -4.242 12.726) 13.414 15.489 ( 0.000 1.918 -6.260) 6.548 15.531 ( 0.000 -1.855 -6.250) 6.519 15.580 ( 0.000 3.159 0.207) 3.166 15.649 ( 0.000 -2.914 0.480) 2.953 15.717 ( 0.000 2.061 -1.474) 2.534 15.782 ( 0.000 -3.770 -1.741) 4.152 16.178 ( 0.000 0.289 0.842) 0.891 16.195 ( 0.000 -1.188 2.006) 2.332 16.334 ( 0.000 3.816 -2.142) 4.376 16.418 ( 0.000 -3.834 -2.694) 4.685 16.638 ( 0.000 9.223 -4.112) 10.099 16.803 ( 0.000 -5.901 -3.949) 7.100 17.371 ( 0.000 3.502 -3.608) 5.028 17.424 ( 0.000 -1.152 -2.861) 3.084 17.541 ( 0.000 3.878 -2.873) 4.826 17.584 ( 0.000 0.801 -5.870) 5.924 17.859 ( 0.000 2.817 -5.758) 6.410 17.920 ( 0.000 -2.794 -7.097) 7.628 ======================= Grid point 61 (26/45) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 2.440 6.120 -2.241) 6.959 0.947 ( 2.993 -4.044 -4.370) 6.664 1.104 ( -3.512 2.505 5.821) 7.245 1.192 ( -1.701 -3.973 4.285) 6.086 1.196 ( 0.950 2.115 6.485) 6.887 1.242 ( 0.942 -1.954 9.406) 9.653 1.457 ( 12.086 3.231 4.020) 13.140 1.562 ( 9.818 -5.672 3.582) 11.891 1.648 ( 2.067 5.511 4.914) 7.667 1.703 ( -6.096 1.074 6.722) 9.138 1.786 ( 1.153 -2.920 8.329) 8.900 1.805 ( 7.748 -4.161 8.517) 12.243 1.987 ( -3.558 2.400 3.151) 5.324 2.026 ( -5.454 -1.149 2.153) 5.975 2.079 ( -0.763 3.312 0.280) 3.411 2.168 ( 1.390 -4.060 1.287) 4.480 2.271 ( -6.803 1.350 1.129) 7.027 2.310 ( -5.081 -2.189 -0.629) 5.568 2.729 ( 1.267 1.816 2.030) 3.004 2.742 ( 0.822 1.766 2.600) 3.248 2.792 ( -4.056 1.922 0.766) 4.553 2.872 ( -0.148 -3.558 -0.247) 3.570 2.963 ( -0.901 5.315 3.723) 6.552 3.034 ( -5.320 1.584 -4.921) 7.418 3.098 ( -1.002 -1.561 1.808) 2.590 3.143 ( -2.025 -2.372 -1.943) 3.674 3.208 ( -1.290 2.671 -2.978) 4.203 3.255 ( 3.331 -2.129 -1.891) 4.382 3.387 ( 1.967 0.201 -6.407) 6.705 3.414 ( -3.113 -1.310 -7.273) 8.019 3.591 ( -0.433 2.671 -0.797) 2.820 3.629 ( 4.013 1.063 1.828) 4.536 3.654 ( -4.153 -0.819 -3.752) 5.657 3.691 ( -4.921 -1.836 -2.907) 6.003 3.788 ( 5.380 -0.628 -9.153) 10.635 3.818 ( 3.081 -2.685 -5.338) 6.723 3.981 ( -0.887 0.995 -5.802) 5.953 4.005 ( 0.289 -1.122 -2.685) 2.924 4.154 ( -3.331 3.824 -1.315) 5.239 4.234 ( -1.894 -3.259 -0.062) 3.770 4.350 ( 1.853 0.977 -1.918) 2.841 4.392 ( 0.620 -2.855 -3.579) 4.620 4.532 ( -3.143 3.641 -3.156) 5.752 4.587 ( -4.210 -1.516 -1.373) 4.680 4.688 ( 0.352 5.415 4.519) 7.062 4.776 ( 2.024 1.034 -0.734) 2.388 4.828 ( -3.604 -1.601 -3.660) 5.381 4.918 ( 3.236 -5.390 2.882) 6.916 4.988 ( 2.964 0.522 1.452) 3.341 5.012 ( 2.741 -2.429 3.159) 4.837 5.175 ( -4.247 3.444 -3.292) 6.382 5.248 ( -4.502 -2.915 -4.475) 6.986 5.431 ( 4.539 2.149 3.192) 5.950 5.471 ( 1.410 -1.705 3.689) 4.301 5.523 ( 2.067 1.704 -4.680) 5.392 5.583 ( 4.084 -3.128 -2.695) 5.808 5.943 ( -3.259 2.633 4.761) 6.342 5.988 ( -3.572 -1.381 6.468) 7.517 6.148 ( 3.608 2.694 -0.601) 4.542 6.193 ( 1.608 1.000 6.393) 6.667 6.212 ( 3.437 -1.691 2.232) 4.433 6.250 ( 3.882 -2.738 5.027) 6.916 6.468 ( -2.575 1.405 -0.124) 2.936 6.498 ( -3.964 -1.303 1.088) 4.312 6.768 ( 1.962 2.894 -2.918) 4.554 6.783 ( 3.991 0.728 0.850) 4.145 6.837 ( 4.421 0.287 -1.407) 4.648 6.892 ( 1.748 -3.593 -3.368) 5.226 7.004 ( 0.320 1.547 1.135) 1.945 7.046 ( 0.223 -2.180 1.715) 2.783 7.262 ( -1.087 2.801 -1.811) 3.509 7.285 ( 1.690 1.666 -0.969) 2.564 7.398 ( -0.011 -1.040 5.851) 5.943 7.433 ( -0.297 -4.030 7.623) 8.627 8.133 ( -16.037 1.938 1.885) 16.263 8.185 ( -14.656 -2.913 2.091) 15.088 9.318 ( 6.030 0.975 -1.428) 6.273 9.341 ( 6.760 -0.947 -1.366) 6.961 9.535 ( -0.963 1.917 -6.108) 6.474 9.564 ( -0.911 -0.884 -5.542) 5.685 9.784 ( 6.266 0.411 8.914) 10.904 9.794 ( 6.607 -0.474 8.675) 10.915 10.253 ( -3.633 2.148 5.903) 7.257 10.297 ( -3.896 -1.786 5.496) 6.969 10.606 ( -2.822 0.281 -5.962) 6.602 10.613 ( -2.709 -0.336 -5.448) 6.093 10.637 ( -3.497 0.986 -1.691) 4.008 10.662 ( -4.553 -1.243 -1.365) 4.914 11.680 ( 8.592 0.567 2.463) 8.956 11.697 ( 9.448 -0.940 2.295) 9.768 11.871 ( 6.520 1.608 4.162) 7.901 11.910 ( 8.601 -1.954 3.229) 9.393 12.424 ( 1.371 4.380 9.025) 10.125 12.523 ( 2.163 -4.200 6.966) 8.416 12.981 ( -10.025 2.760 -3.577) 10.997 13.074 ( -5.971 -5.957 -3.841) 9.268 14.035 ( 0.451 1.309 4.097) 4.325 14.076 ( -3.148 -2.499 6.665) 7.783 14.139 ( -1.546 1.781 4.624) 5.191 14.196 ( -2.104 -3.234 4.774) 6.138 14.779 ( 8.134 1.405 8.589) 11.912 14.835 ( 6.981 -4.018 8.811) 11.938 15.394 ( -8.619 1.693 -6.109) 10.699 15.434 ( -9.179 -1.896 -6.231) 11.255 15.621 ( 3.917 2.788 0.140) 4.810 15.685 ( 3.428 -2.847 0.095) 4.457 15.744 ( 2.089 2.841 -0.652) 3.586 15.819 ( 2.197 -3.808 -0.463) 4.421 16.184 ( 0.594 0.904 0.323) 1.129 16.217 ( 1.963 -2.069 1.637) 3.288 16.347 ( 1.091 2.414 -0.245) 2.660 16.391 ( -2.125 -1.261 -1.010) 2.670 16.667 ( 2.260 6.074 -6.350) 9.074 16.793 ( -0.844 -5.035 -5.949) 7.839 17.349 ( -1.859 3.633 -2.268) 4.668 17.387 ( -2.379 0.590 -0.767) 2.569 17.580 ( 3.317 3.152 -2.544) 5.236 17.630 ( 3.960 -0.555 -6.185) 7.366 17.829 ( -3.039 2.910 -5.343) 6.801 17.894 ( -2.589 -2.923 -7.109) 8.111 ======================= Grid point 62 (27/45) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 5.412 5.699 -3.895) 8.772 1.024 ( 3.809 -2.622 -4.715) 6.604 1.088 ( 0.780 -0.127 -1.575) 1.763 1.122 ( -3.698 -3.017 0.889) 4.855 1.248 ( 1.544 -0.486 2.573) 3.040 1.277 ( 2.222 -2.280 7.302) 7.966 1.509 ( -5.679 -0.006 3.939) 6.911 1.532 ( -5.153 -1.256 3.707) 6.470 1.765 ( 12.298 2.065 -0.757) 12.493 1.808 ( 10.594 -1.720 2.635) 11.051 1.865 ( 4.387 3.148 5.152) 7.463 1.902 ( -0.540 -0.949 0.435) 1.175 1.938 ( -1.460 2.590 3.470) 4.570 1.976 ( 1.845 -0.264 4.929) 5.269 2.030 ( -9.488 2.583 2.271) 10.093 2.109 ( -7.970 -3.800 -0.148) 8.831 2.239 ( 8.900 2.799 2.916) 9.775 2.311 ( 7.927 -3.554 3.529) 9.376 2.573 ( -14.966 -1.047 2.305) 15.179 2.585 ( -13.626 -1.836 0.055) 13.749 2.783 ( 1.057 4.440 1.440) 4.786 2.892 ( 1.010 -4.941 0.140) 5.045 2.938 ( -1.119 7.827 -0.282) 7.912 3.021 ( 2.192 0.932 -3.321) 4.087 3.066 ( -0.367 2.234 -0.097) 2.266 3.146 ( -4.070 4.877 -1.693) 6.574 3.173 ( 3.513 -4.598 -2.863) 6.456 3.231 ( -3.104 -3.586 -3.985) 6.195 3.393 ( 1.399 0.327 -2.591) 2.963 3.433 ( 1.796 -2.767 -2.794) 4.323 3.512 ( -6.414 -0.784 -2.246) 6.841 3.519 ( -5.814 -1.271 -2.445) 6.434 3.703 ( 6.139 2.476 -2.488) 7.072 3.769 ( 7.625 -2.264 2.738) 8.412 3.857 ( -1.873 1.626 -7.355) 7.762 3.905 ( 2.479 -1.363 -4.686) 5.474 3.981 ( -2.060 -0.732 -0.254) 2.201 3.996 ( 1.125 -1.488 -1.383) 2.322 4.123 ( 0.822 4.573 -6.766) 8.208 4.208 ( -0.145 -2.703 -3.342) 4.300 4.388 ( 1.287 1.400 -0.127) 1.906 4.428 ( 2.399 -0.502 -2.877) 3.780 4.472 ( -2.355 0.405 -2.093) 3.176 4.512 ( -2.712 -1.399 -1.166) 3.266 4.691 ( 0.022 2.497 1.771) 3.061 4.763 ( -2.249 -4.059 -0.868) 4.721 4.780 ( -1.633 7.074 3.512) 8.065 4.943 ( -0.620 -6.048 4.018) 7.287 5.021 ( 0.996 1.087 0.785) 1.670 5.067 ( 2.437 -2.815 1.799) 4.135 5.144 ( 0.485 3.645 -2.096) 4.233 5.217 ( 0.483 -2.598 -2.921) 3.938 5.438 ( -0.320 0.446 5.511) 5.538 5.461 ( -1.253 -1.918 7.370) 7.718 5.555 ( -0.376 3.931 2.447) 4.646 5.624 ( -0.249 -2.028 4.142) 4.619 5.926 ( 0.596 2.478 2.165) 3.344 5.993 ( 2.564 -3.385 2.698) 5.031 6.181 ( -0.867 0.195 -0.555) 1.047 6.187 ( -1.511 -0.125 4.244) 4.507 6.250 ( 1.550 2.526 -0.785) 3.066 6.321 ( 2.984 -3.144 0.583) 4.373 6.431 ( -0.982 1.537 -0.732) 1.965 6.468 ( 0.227 -1.679 -1.376) 2.183 6.791 ( 0.919 4.648 -3.842) 6.100 6.852 ( 2.300 2.337 -2.925) 4.394 6.904 ( 0.163 -2.240 -3.289) 3.983 6.939 ( 2.244 -2.622 -3.596) 4.984 7.019 ( 1.892 0.743 -1.076) 2.300 7.059 ( 2.014 -2.826 -0.009) 3.470 7.231 ( -1.917 3.906 0.337) 4.364 7.317 ( -0.636 -3.257 -0.585) 3.370 7.411 ( 3.302 2.910 5.318) 6.903 7.498 ( 6.647 -4.424 5.766) 9.849 7.829 ( -12.778 3.056 6.196) 14.526 7.885 ( -13.640 -2.094 6.830) 15.398 9.408 ( 2.883 1.520 -3.429) 4.731 9.442 ( 3.425 -1.513 -3.407) 5.063 9.508 ( -1.442 1.887 -4.028) 4.676 9.537 ( -1.625 -0.800 -3.865) 4.269 9.952 ( 10.335 1.044 5.843) 11.918 9.976 ( 11.192 -1.123 5.157) 12.374 10.140 ( -8.194 1.790 4.021) 9.301 10.178 ( -8.620 -1.543 3.151) 9.306 10.563 ( -1.073 0.574 -2.052) 2.386 10.576 ( -1.908 0.461 -1.439) 2.434 10.576 ( -1.090 -0.300 -1.668) 2.015 10.592 ( -2.370 -0.707 -1.294) 2.791 11.820 ( 4.271 0.894 1.044) 4.487 11.858 ( 5.328 -2.448 0.284) 5.870 12.007 ( 5.780 2.889 2.947) 7.102 12.054 ( 5.061 -1.289 1.849) 5.540 12.493 ( 6.741 4.042 8.162) 11.331 12.594 ( 5.234 -5.014 7.033) 10.099 12.737 ( -13.592 4.512 5.122) 15.209 12.885 ( -11.072 -8.522 6.668) 15.482 14.070 ( 1.043 -0.012 3.046) 3.220 14.076 ( 3.549 -0.527 0.838) 3.685 14.112 ( -1.102 0.956 3.711) 3.987 14.146 ( -3.023 -2.235 2.414) 4.468 14.973 ( 12.004 0.179 1.281) 12.073 14.991 ( 9.801 -1.512 1.436) 10.021 15.197 ( -11.489 0.740 -3.921) 12.162 15.219 ( -12.837 -1.178 -4.565) 13.675 15.696 ( 2.874 2.433 -0.353) 3.782 15.755 ( 3.018 -2.753 -0.631) 4.133 15.770 ( 0.452 2.896 0.971) 3.088 15.835 ( -0.393 -2.880 0.789) 3.012 16.196 ( 0.411 1.662 -0.737) 1.864 16.251 ( 1.200 -3.425 1.280) 3.848 16.360 ( -0.777 0.686 1.640) 1.940 16.364 ( 0.395 0.638 2.442) 2.555 16.697 ( 0.643 3.200 -9.395) 9.946 16.783 ( -0.040 -4.331 -9.114) 10.091 17.317 ( -1.110 4.708 -0.470) 4.860 17.360 ( -0.547 0.887 2.441) 2.654 17.655 ( 4.348 2.912 -2.976) 6.020 17.706 ( 3.291 -1.199 -5.404) 6.440 17.754 ( -4.361 2.836 -4.496) 6.876 17.833 ( -3.147 -3.354 -7.299) 8.627 ======================= Grid point 75 (28/45) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 0.000 10.637) 10.637 1.082 ( 0.000 0.000 7.240) 7.240 1.130 ( 0.000 0.000 -3.673) 3.673 1.231 ( 0.000 0.000 -4.607) 4.607 1.238 ( 0.000 0.000 0.718) 0.718 1.367 ( 0.000 0.000 -2.239) 2.239 1.583 ( 0.000 0.000 21.633) 21.633 1.620 ( 0.000 0.000 4.840) 4.840 1.723 ( 0.000 0.000 7.301) 7.301 1.904 ( 0.000 0.000 12.054) 12.054 1.922 ( 0.000 0.000 3.905) 3.905 2.041 ( 0.000 0.000 -6.045) 6.045 2.070 ( 0.000 0.000 -3.034) 3.034 2.149 ( 0.000 0.000 -10.921) 10.921 2.194 ( 0.000 0.000 3.178) 3.178 2.311 ( 0.000 0.000 4.383) 4.383 2.372 ( 0.000 0.000 7.284) 7.284 2.435 ( 0.000 0.000 -6.654) 6.654 2.437 ( 0.000 0.000 17.738) 17.738 2.670 ( 0.000 0.000 3.288) 3.288 2.809 ( 0.000 0.000 -3.889) 3.889 2.928 ( 0.000 0.000 2.577) 2.577 2.944 ( 0.000 0.000 3.737) 3.737 3.017 ( 0.000 0.000 -2.380) 2.380 3.116 ( 0.000 0.000 -3.021) 3.021 3.174 ( 0.000 0.000 -9.504) 9.504 3.208 ( 0.000 0.000 15.558) 15.558 3.266 ( 0.000 0.000 -0.002) 0.002 3.305 ( 0.000 0.000 -0.695) 0.695 3.327 ( 0.000 0.000 0.448) 0.448 3.407 ( 0.000 0.000 -5.185) 5.185 3.596 ( 0.000 0.000 -6.531) 6.531 3.609 ( 0.000 0.000 -3.586) 3.586 3.639 ( 0.000 0.000 0.247) 0.247 3.706 ( 0.000 0.000 -3.618) 3.618 3.765 ( 0.000 0.000 -6.369) 6.369 3.984 ( 0.000 0.000 1.653) 1.653 4.008 ( 0.000 0.000 -2.267) 2.267 4.070 ( 0.000 0.000 -6.231) 6.231 4.254 ( 0.000 0.000 -7.476) 7.476 4.318 ( 0.000 0.000 0.483) 0.483 4.394 ( 0.000 0.000 6.703) 6.703 4.414 ( 0.000 0.000 -9.287) 9.287 4.501 ( 0.000 0.000 -2.096) 2.096 4.594 ( 0.000 0.000 -3.258) 3.258 4.659 ( 0.000 0.000 -2.799) 2.799 4.885 ( 0.000 0.000 -2.848) 2.848 4.918 ( 0.000 0.000 -0.800) 0.800 5.003 ( 0.000 0.000 6.451) 6.451 5.123 ( 0.000 0.000 1.210) 1.210 5.146 ( 0.000 0.000 -4.079) 4.079 5.233 ( 0.000 0.000 1.574) 1.574 5.338 ( 0.000 0.000 -5.014) 5.014 5.422 ( 0.000 0.000 -6.556) 6.556 5.548 ( 0.000 0.000 3.253) 3.253 5.674 ( 0.000 0.000 -2.024) 2.024 5.847 ( 0.000 0.000 0.285) 0.285 5.898 ( 0.000 0.000 0.400) 0.400 6.186 ( 0.000 0.000 5.648) 5.648 6.279 ( 0.000 0.000 6.328) 6.328 6.308 ( 0.000 0.000 1.826) 1.826 6.309 ( 0.000 0.000 -0.010) 0.010 6.602 ( 0.000 0.000 -1.004) 1.004 6.622 ( 0.000 0.000 6.730) 6.730 6.687 ( 0.000 0.000 -1.292) 1.292 6.720 ( 0.000 0.000 4.790) 4.790 6.863 ( 0.000 0.000 -3.824) 3.824 6.934 ( 0.000 0.000 -4.933) 4.933 6.939 ( 0.000 0.000 2.285) 2.285 7.071 ( 0.000 0.000 -2.637) 2.637 7.157 ( 0.000 0.000 3.010) 3.010 7.249 ( 0.000 0.000 -0.296) 0.296 7.610 ( 0.000 0.000 13.178) 13.178 7.790 ( 0.000 0.000 12.216) 12.216 8.241 ( 0.000 0.000 -15.609) 15.609 8.241 ( 0.000 0.000 -7.716) 7.716 9.231 ( 0.000 0.000 0.975) 0.975 9.310 ( 0.000 0.000 3.435) 3.435 9.331 ( 0.000 0.000 -4.253) 4.253 9.486 ( 0.000 0.000 -4.980) 4.980 9.943 ( 0.000 0.000 11.819) 11.819 9.956 ( 0.000 0.000 11.332) 11.332 10.351 ( 0.000 0.000 2.124) 2.124 10.425 ( 0.000 0.000 -11.478) 11.478 10.471 ( 0.000 0.000 -7.181) 7.181 10.518 ( 0.000 0.000 6.082) 6.082 10.588 ( 0.000 0.000 -3.468) 3.468 10.731 ( 0.000 0.000 -4.763) 4.763 11.700 ( 0.000 0.000 7.007) 7.007 11.704 ( 0.000 0.000 7.035) 7.035 11.859 ( 0.000 0.000 1.028) 1.028 11.860 ( 0.000 0.000 1.099) 1.099 12.506 ( 0.000 0.000 8.947) 8.947 12.640 ( 0.000 0.000 4.060) 4.060 12.882 ( 0.000 0.000 -8.765) 8.765 12.929 ( 0.000 0.000 -13.520) 13.520 14.083 ( 0.000 0.000 5.539) 5.539 14.178 ( 0.000 0.000 1.806) 1.806 14.466 ( 0.000 0.000 7.637) 7.637 14.625 ( 0.000 0.000 3.444) 3.444 14.883 ( 0.000 0.000 11.449) 11.449 15.192 ( 0.000 0.000 2.075) 2.075 15.283 ( 0.000 0.000 -8.368) 8.368 15.437 ( 0.000 0.000 -7.374) 7.374 15.554 ( 0.000 0.000 1.704) 1.704 15.645 ( 0.000 0.000 -2.499) 2.499 15.738 ( 0.000 0.000 0.341) 0.341 15.758 ( 0.000 0.000 -1.687) 1.687 16.167 ( 0.000 0.000 1.008) 1.008 16.270 ( 0.000 0.000 -2.268) 2.268 16.297 ( 0.000 0.000 5.256) 5.256 16.427 ( 0.000 0.000 9.032) 9.032 16.487 ( 0.000 0.000 -3.630) 3.630 16.818 ( 0.000 0.000 -7.778) 7.778 17.122 ( 0.000 0.000 -2.757) 2.757 17.149 ( 0.000 0.000 -2.439) 2.439 17.479 ( 0.000 0.000 3.319) 3.319 17.572 ( 0.000 0.000 3.719) 3.719 17.666 ( 0.000 0.000 -5.502) 5.502 17.813 ( 0.000 0.000 -8.503) 8.503 ======================= Grid point 76 (29/45) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 1.263 0.000 9.644) 9.726 1.077 ( 0.203 0.000 3.486) 3.492 1.142 ( -1.901 0.000 -4.271) 4.675 1.147 ( -0.031 0.000 -4.283) 4.283 1.349 ( -6.912 0.000 7.725) 10.366 1.412 ( 10.253 0.000 0.970) 10.299 1.445 ( -1.307 0.000 7.124) 7.243 1.618 ( 6.907 0.000 0.898) 6.965 1.779 ( -12.678 0.000 -5.542) 13.836 1.845 ( -13.073 0.000 -7.749) 15.197 1.854 ( 2.710 0.000 9.269) 9.657 1.996 ( -5.272 0.000 3.901) 6.559 2.070 ( 8.356 0.000 10.401) 13.342 2.144 ( -0.736 0.000 6.691) 6.732 2.222 ( 1.782 0.000 -4.662) 4.990 2.248 ( -10.778 0.000 15.940) 19.242 2.304 ( -1.691 0.000 4.500) 4.807 2.446 ( 2.905 0.000 6.932) 7.516 2.582 ( 7.566 0.000 0.043) 7.566 2.669 ( -1.053 0.000 1.712) 2.010 2.769 ( -6.072 0.000 -6.478) 8.879 2.817 ( -3.202 0.000 1.792) 3.669 2.876 ( -4.847 0.000 -3.016) 5.709 3.008 ( -6.413 0.000 -6.736) 9.301 3.020 ( -0.546 0.000 -1.421) 1.523 3.076 ( -9.370 0.000 -4.125) 10.238 3.241 ( 0.931 0.000 -1.332) 1.625 3.294 ( 3.897 0.000 6.269) 7.381 3.351 ( 3.237 0.000 -1.139) 3.431 3.370 ( 2.171 0.000 0.019) 2.172 3.458 ( 4.323 0.000 -2.406) 4.948 3.563 ( -3.482 0.000 -0.857) 3.586 3.643 ( 1.954 0.000 -4.164) 4.600 3.646 ( 0.934 0.000 -4.814) 4.904 3.732 ( -3.548 0.000 -6.344) 7.269 3.743 ( 2.180 0.000 -4.848) 5.315 3.953 ( -0.564 0.000 1.890) 1.973 3.993 ( -0.654 0.000 -0.400) 0.766 4.152 ( 6.494 0.000 1.389) 6.641 4.305 ( 0.522 0.000 -4.112) 4.145 4.347 ( -4.389 0.000 -5.597) 7.113 4.349 ( 4.761 0.000 1.623) 5.030 4.360 ( -0.390 0.000 4.441) 4.458 4.514 ( 1.785 0.000 -0.913) 2.005 4.596 ( -5.521 0.000 -0.238) 5.527 4.677 ( 3.647 0.000 -4.241) 5.593 4.925 ( 1.581 0.000 -0.816) 1.780 4.959 ( 4.696 0.000 -1.187) 4.844 5.056 ( 3.845 0.000 0.830) 3.933 5.092 ( -4.008 0.000 -3.338) 5.216 5.154 ( 3.435 0.000 4.755) 5.866 5.258 ( -2.265 0.000 -4.395) 4.944 5.340 ( 7.979 0.000 0.043) 7.980 5.420 ( -3.775 0.000 -2.321) 4.432 5.563 ( 2.914 0.000 -1.202) 3.152 5.682 ( 1.258 0.000 -3.274) 3.508 5.893 ( 3.643 0.000 0.767) 3.723 5.939 ( 2.618 0.000 0.270) 2.632 6.173 ( -0.605 0.000 7.205) 7.231 6.287 ( 1.232 0.000 6.546) 6.661 6.322 ( 0.728 0.000 1.212) 1.413 6.345 ( 3.847 0.000 -0.325) 3.860 6.534 ( -6.737 0.000 4.176) 7.926 6.609 ( -4.335 0.000 3.029) 5.288 6.612 ( -1.518 0.000 -0.064) 1.519 6.770 ( -1.701 0.000 -2.016) 2.637 6.819 ( -0.668 0.000 -2.685) 2.767 6.943 ( 0.281 0.000 -4.902) 4.910 6.960 ( 2.568 0.000 1.673) 3.065 7.084 ( 1.370 0.000 -3.103) 3.392 7.170 ( 1.657 0.000 1.697) 2.372 7.224 ( -2.070 0.000 0.342) 2.098 7.600 ( -0.610 0.000 10.591) 10.608 7.786 ( 0.057 0.000 11.890) 11.890 8.021 ( -15.208 0.000 -6.872) 16.688 8.212 ( -8.188 0.000 -7.706) 11.244 9.278 ( 3.964 0.000 -0.439) 3.988 9.339 ( 0.778 0.000 -3.637) 3.719 9.363 ( 4.412 0.000 1.118) 4.552 9.484 ( -0.298 0.000 -4.435) 4.445 9.968 ( 2.976 0.000 10.092) 10.522 9.987 ( 3.337 0.000 9.580) 10.144 10.276 ( -5.755 0.000 -0.405) 5.769 10.364 ( -6.970 0.000 -5.064) 8.615 10.474 ( 2.039 0.000 -3.039) 3.660 10.554 ( 1.319 0.000 -0.155) 1.328 10.563 ( -2.248 0.000 -2.968) 3.723 10.657 ( -5.421 0.000 -2.793) 6.098 11.781 ( 7.613 0.000 6.669) 10.121 11.818 ( 10.101 0.000 6.112) 11.807 11.894 ( 3.555 0.000 1.884) 4.023 11.981 ( 8.464 0.000 -0.115) 8.465 12.506 ( 0.579 0.000 8.358) 8.378 12.701 ( 6.321 0.000 4.442) 7.726 12.815 ( -5.240 0.000 -7.077) 8.806 13.022 ( 6.456 0.000 -12.922) 14.445 14.086 ( 0.475 0.000 4.390) 4.415 14.168 ( -0.924 0.000 1.574) 1.825 14.389 ( -17.812 0.000 6.992) 19.135 14.389 ( -7.402 0.000 4.793) 8.818 14.936 ( 3.426 0.000 8.340) 9.017 15.131 ( -4.338 0.000 1.765) 4.683 15.220 ( -5.548 0.000 -6.876) 8.836 15.349 ( -8.397 0.000 -7.175) 11.045 15.601 ( 4.198 0.000 1.497) 4.457 15.657 ( 1.856 0.000 -1.393) 2.321 15.804 ( 3.699 0.000 -0.740) 3.772 15.815 ( 3.617 0.000 -1.443) 3.894 16.249 ( 6.235 0.000 0.186) 6.238 16.279 ( -1.115 0.000 5.037) 5.159 16.309 ( 3.393 0.000 -1.761) 3.822 16.397 ( -0.823 0.000 3.572) 3.666 16.531 ( 3.549 0.000 -0.219) 3.556 16.833 ( 0.481 0.000 -8.359) 8.373 17.109 ( -0.789 0.000 -0.814) 1.133 17.149 ( -0.072 0.000 -0.801) 0.805 17.520 ( 4.024 0.000 0.555) 4.062 17.577 ( 0.554 0.000 2.864) 2.917 17.653 ( -1.342 0.000 -4.669) 4.858 17.786 ( -2.810 0.000 -7.975) 8.456 ======================= Grid point 77 (30/45) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 4.596 0.000 6.367) 7.852 1.025 ( -7.424 0.000 1.357) 7.547 1.107 ( 0.290 0.000 -3.274) 3.287 1.132 ( -0.695 0.000 -5.763) 5.805 1.338 ( 7.153 0.000 5.527) 9.039 1.520 ( -9.324 0.000 -1.411) 9.430 1.577 ( 9.800 0.000 -3.507) 10.408 1.590 ( 2.284 0.000 -1.595) 2.786 1.682 ( -1.284 0.000 -2.163) 2.516 1.707 ( -3.255 0.000 -0.672) 3.324 1.838 ( 3.040 0.000 4.506) 5.435 1.914 ( -1.690 0.000 1.045) 1.987 1.996 ( -7.379 0.000 4.068) 8.426 2.079 ( -17.485 0.000 -1.583) 17.556 2.088 ( 1.718 0.000 10.407) 10.548 2.211 ( -6.074 0.000 7.405) 9.577 2.390 ( 12.653 0.000 9.673) 15.927 2.534 ( 8.017 0.000 5.120) 9.512 2.553 ( -6.002 0.000 0.395) 6.015 2.695 ( 3.273 0.000 -0.190) 3.278 2.733 ( -1.644 0.000 -2.018) 2.603 2.767 ( -13.042 0.000 -1.489) 13.126 2.845 ( 2.809 0.000 0.405) 2.838 2.849 ( 1.008 0.000 -0.570) 1.158 2.979 ( -2.904 0.000 -2.180) 3.631 2.981 ( -3.017 0.000 -2.659) 4.021 3.324 ( 4.856 0.000 1.019) 4.961 3.358 ( 2.158 0.000 -2.879) 3.598 3.395 ( 1.884 0.000 3.128) 3.652 3.428 ( 5.511 0.000 -6.037) 8.174 3.476 ( -5.042 0.000 0.399) 5.058 3.506 ( -0.385 0.000 -2.391) 2.422 3.636 ( -1.775 0.000 -5.490) 5.770 3.644 ( -2.169 0.000 -1.953) 2.919 3.699 ( 1.865 0.000 -9.720) 9.897 3.744 ( -1.836 0.000 -6.074) 6.345 3.961 ( 0.900 0.000 1.629) 1.861 3.982 ( -0.992 0.000 -0.952) 1.375 4.268 ( 4.762 0.000 5.967) 7.634 4.283 ( -0.935 0.000 -5.244) 5.327 4.290 ( -1.152 0.000 -3.351) 3.543 4.334 ( -1.603 0.000 10.815) 10.934 4.450 ( 2.284 0.000 0.421) 2.323 4.499 ( -3.819 0.000 -0.025) 3.819 4.613 ( 6.827 0.000 -3.354) 7.607 4.687 ( -1.683 0.000 -3.130) 3.554 4.966 ( 0.514 0.000 0.581) 0.776 4.971 ( 2.005 0.000 -2.721) 3.380 5.089 ( 0.772 0.000 0.007) 0.772 5.099 ( 0.779 0.000 2.411) 2.534 5.183 ( -0.918 0.000 6.731) 6.793 5.222 ( -4.121 0.000 0.985) 4.237 5.412 ( 5.064 0.000 -0.119) 5.065 5.452 ( 2.842 0.000 -1.151) 3.066 5.658 ( 4.328 0.000 -2.509) 5.002 5.691 ( -0.300 0.000 -1.535) 1.564 5.953 ( 2.200 0.000 -0.760) 2.328 5.966 ( 0.312 0.000 -0.691) 0.758 6.191 ( 3.875 0.000 6.374) 7.460 6.313 ( 0.771 0.000 2.316) 2.441 6.324 ( -0.209 0.000 1.776) 1.788 6.350 ( -10.606 0.000 5.249) 11.834 6.455 ( 6.523 0.000 1.903) 6.795 6.548 ( -2.613 0.000 4.160) 4.913 6.591 ( -0.166 0.000 -3.372) 3.376 6.647 ( -6.712 0.000 -5.494) 8.674 6.877 ( 3.723 0.000 -4.184) 5.601 6.931 ( -1.685 0.000 -5.147) 5.416 7.030 ( 4.273 0.000 0.606) 4.316 7.095 ( -1.571 0.000 -1.878) 2.448 7.202 ( 0.506 0.000 -0.207) 0.547 7.206 ( 1.195 0.000 -0.774) 1.424 7.610 ( 2.622 0.000 6.021) 6.567 7.745 ( -11.987 0.000 0.488) 11.997 7.828 ( 5.511 0.000 8.554) 10.176 8.002 ( -11.869 0.000 0.780) 11.895 9.339 ( 1.890 0.000 -1.408) 2.356 9.352 ( 0.262 0.000 -2.283) 2.298 9.436 ( 2.862 0.000 -1.438) 3.203 9.472 ( -1.102 0.000 -3.111) 3.300 10.050 ( 5.388 0.000 5.733) 7.867 10.088 ( 6.900 0.000 3.833) 7.893 10.162 ( -6.125 0.000 1.291) 6.260 10.226 ( -7.399 0.000 -1.403) 7.531 10.501 ( 0.957 0.000 -1.719) 1.967 10.523 ( -1.655 0.000 -1.760) 2.416 10.565 ( 0.335 0.000 -0.808) 0.875 10.584 ( -2.072 0.000 -1.267) 2.429 11.920 ( 5.322 0.000 4.144) 6.745 11.952 ( 1.538 0.000 2.814) 3.207 12.006 ( 7.821 0.000 4.362) 8.955 12.076 ( 0.697 0.000 1.502) 1.656 12.555 ( 5.074 0.000 6.316) 8.102 12.688 ( -7.849 0.000 0.189) 7.852 12.875 ( 11.481 0.000 2.698) 11.794 13.061 ( -4.957 0.000 -6.582) 8.240 14.102 ( 1.802 0.000 2.509) 3.089 14.148 ( -1.245 0.000 0.875) 1.522 14.166 ( -3.278 0.000 3.542) 4.827 14.227 ( -8.411 0.000 1.005) 8.471 15.015 ( 5.359 0.000 2.532) 5.927 15.082 ( 0.012 0.000 -0.109) 0.109 15.112 ( -4.995 0.000 -3.545) 6.126 15.173 ( -8.900 0.000 -3.731) 9.650 15.674 ( 2.683 0.000 1.082) 2.892 15.690 ( 0.883 0.000 0.058) 0.885 15.845 ( 1.184 0.000 -0.957) 1.523 15.855 ( 0.471 0.000 -1.294) 1.377 16.269 ( 0.430 0.000 2.780) 2.813 16.288 ( -0.985 0.000 0.743) 1.234 16.379 ( 3.262 0.000 1.692) 3.675 16.414 ( 0.102 0.000 4.148) 4.149 16.644 ( 8.333 0.000 -6.279) 10.434 16.789 ( -5.595 0.000 -9.134) 10.711 17.115 ( 1.400 0.000 2.137) 2.554 17.141 ( -0.943 0.000 1.640) 1.892 17.593 ( 1.325 0.000 0.193) 1.339 17.615 ( 5.285 0.000 -3.372) 6.269 17.622 ( -1.735 0.000 -2.430) 2.986 17.712 ( -4.719 0.000 -6.399) 7.951 ======================= Grid point 80 (31/45) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 -4.258 3.318) 5.398 0.951 ( 0.000 -10.620 -6.917) 12.674 1.171 ( 0.000 7.063 5.032) 8.672 1.220 ( 0.000 -0.428 0.591) 0.730 1.305 ( 0.000 2.256 0.759) 2.380 1.436 ( 0.000 5.395 2.810) 6.083 1.591 ( 0.000 0.456 20.045) 20.051 1.597 ( 0.000 -1.428 5.907) 6.077 1.747 ( 0.000 2.322 7.536) 7.885 1.818 ( 0.000 -5.751 10.493) 11.966 1.955 ( 0.000 0.482 4.983) 5.007 2.023 ( 0.000 -8.103 -1.024) 8.168 2.050 ( 0.000 0.443 -4.700) 4.721 2.063 ( 0.000 -0.898 -1.404) 1.667 2.196 ( 0.000 -0.030 -10.045) 10.045 2.276 ( 0.000 -5.089 -3.607) 6.237 2.368 ( 0.000 2.553 7.553) 7.973 2.379 ( 0.000 -0.911 17.841) 17.864 2.582 ( 0.000 6.233 -1.262) 6.360 2.685 ( 0.000 1.346 2.141) 2.529 2.840 ( 0.000 1.563 -2.477) 2.929 2.943 ( 0.000 -0.727 4.118) 4.181 2.968 ( 0.000 3.637 3.367) 4.957 3.002 ( 0.000 -0.046 -4.899) 4.900 3.120 ( 0.000 0.621 -2.901) 2.967 3.201 ( 0.000 -0.516 11.811) 11.822 3.211 ( 0.000 1.782 -5.685) 5.958 3.261 ( 0.000 -0.247 -0.383) 0.456 3.265 ( 0.000 -2.249 1.074) 2.492 3.336 ( 0.000 -0.032 -1.698) 1.699 3.424 ( 0.000 1.555 -5.793) 5.998 3.575 ( 0.000 -2.607 -4.276) 5.008 3.589 ( 0.000 -0.395 -2.594) 2.624 3.633 ( 0.000 -0.977 -2.163) 2.373 3.728 ( 0.000 -2.095 -3.651) 4.209 3.728 ( 0.000 1.149 -5.848) 5.960 3.979 ( 0.000 -0.160 2.916) 2.920 4.025 ( 0.000 -1.198 -3.259) 3.472 4.093 ( 0.000 4.250 -0.452) 4.274 4.228 ( 0.000 -1.792 -7.706) 7.911 4.300 ( 0.000 -1.555 -0.694) 1.703 4.418 ( 0.000 -1.311 -3.187) 3.446 4.429 ( 0.000 2.983 1.550) 3.362 4.506 ( 0.000 1.952 -7.361) 7.616 4.630 ( 0.000 2.784 -2.224) 3.563 4.656 ( 0.000 -0.726 -2.130) 2.250 4.841 ( 0.000 -3.567 -3.386) 4.918 4.889 ( 0.000 -2.575 -2.357) 3.491 5.012 ( 0.000 0.647 7.428) 7.456 5.148 ( 0.000 -0.505 -1.241) 1.340 5.152 ( 0.000 2.573 -0.702) 2.667 5.237 ( 0.000 -0.098 1.522) 1.525 5.286 ( 0.000 -2.581 -4.936) 5.570 5.402 ( 0.000 -1.930 -5.736) 6.052 5.524 ( 0.000 -1.557 2.484) 2.932 5.605 ( 0.000 -3.871 -0.472) 3.900 5.948 ( 0.000 5.765 -1.664) 6.001 5.950 ( 0.000 3.769 0.486) 3.800 6.180 ( 0.000 0.298 6.199) 6.206 6.270 ( 0.000 -0.818 2.269) 2.412 6.306 ( 0.000 1.730 6.607) 6.830 6.372 ( 0.000 3.085 1.249) 3.328 6.546 ( 0.000 -5.553 6.100) 8.249 6.605 ( 0.000 -0.306 -0.906) 0.956 6.703 ( 0.000 -0.859 2.586) 2.725 6.707 ( 0.000 1.083 -0.800) 1.346 6.819 ( 0.000 -2.565 -3.202) 4.103 6.880 ( 0.000 -3.632 -4.580) 5.846 6.990 ( 0.000 3.132 2.402) 3.947 7.122 ( 0.000 1.723 -0.551) 1.809 7.152 ( 0.000 0.930 0.500) 1.056 7.247 ( 0.000 -0.159 -1.004) 1.016 7.599 ( 0.000 -0.739 12.659) 12.680 7.734 ( 0.000 -4.416 11.167) 12.009 8.241 ( 0.000 0.056 -11.745) 11.745 8.244 ( 0.000 0.183 -7.123) 7.126 9.241 ( 0.000 0.836 1.283) 1.532 9.302 ( 0.000 -0.565 3.108) 3.159 9.362 ( 0.000 2.379 -4.868) 5.418 9.479 ( 0.000 -0.696 -5.114) 5.161 9.943 ( 0.000 0.049 11.734) 11.734 9.954 ( 0.000 -0.162 11.350) 11.351 10.366 ( 0.000 1.307 1.492) 1.983 10.428 ( 0.000 0.176 -11.562) 11.563 10.469 ( 0.000 -0.191 -6.587) 6.590 10.505 ( 0.000 -1.139 6.166) 6.271 10.599 ( 0.000 0.948 -3.381) 3.512 10.711 ( 0.000 -1.603 -4.254) 4.546 11.702 ( 0.000 0.121 7.060) 7.061 11.705 ( 0.000 0.034 7.079) 7.079 11.861 ( 0.000 0.158 1.070) 1.081 11.862 ( 0.000 0.113 1.135) 1.141 12.524 ( 0.000 1.604 8.463) 8.614 12.638 ( 0.000 -0.284 4.140) 4.150 12.885 ( 0.000 0.196 -8.863) 8.865 12.921 ( 0.000 -0.674 -12.604) 12.622 14.104 ( 0.000 2.029 5.789) 6.134 14.191 ( 0.000 1.308 2.226) 2.582 14.423 ( 0.000 -3.664 6.792) 7.717 14.530 ( 0.000 -8.137 4.442) 9.271 14.896 ( 0.000 1.132 11.572) 11.628 15.100 ( 0.000 -5.964 7.814) 9.830 15.301 ( 0.000 1.416 -8.585) 8.701 15.422 ( 0.000 -1.328 -7.780) 7.892 15.546 ( 0.000 0.566 1.530) 1.631 15.640 ( 0.000 -0.126 -2.717) 2.720 15.728 ( 0.000 -1.090 0.922) 1.427 15.793 ( 0.000 0.158 -2.985) 2.989 16.181 ( 0.000 1.055 1.258) 1.641 16.250 ( 0.000 -1.095 2.989) 3.183 16.263 ( 0.000 -0.618 -1.030) 1.201 16.428 ( 0.000 -4.076 -4.275) 5.907 16.497 ( 0.000 4.957 7.003) 8.580 16.815 ( 0.000 -1.383 -5.792) 5.955 17.171 ( 0.000 4.250 -3.488) 5.498 17.238 ( 0.000 5.691 -5.361) 7.818 17.501 ( 0.000 1.795 3.074) 3.560 17.570 ( 0.000 -0.085 3.339) 3.340 17.690 ( 0.000 1.959 -5.516) 5.853 17.803 ( 0.000 -0.881 -7.983) 8.032 ======================= Grid point 81 (32/45) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 1.766 -3.875 3.343) 5.414 0.982 ( 2.500 -9.098 -7.775) 12.226 1.105 ( -3.163 2.408 2.232) 4.558 1.249 ( -0.684 5.036 3.876) 6.392 1.328 ( -4.371 -1.954 4.642) 6.669 1.431 ( 1.412 2.261 6.072) 6.632 1.492 ( 2.601 3.166 4.378) 5.996 1.609 ( 4.219 -0.808 2.427) 4.934 1.786 ( -9.847 0.450 -1.428) 9.960 1.812 ( 0.477 -3.567 4.626) 5.861 1.861 ( -11.920 0.265 -4.719) 12.823 1.988 ( 2.461 -1.062 3.389) 4.321 2.023 ( -0.105 -2.349 2.362) 3.333 2.113 ( 7.887 -1.130 10.824) 13.440 2.219 ( -6.237 -0.773 8.667) 10.706 2.259 ( -4.265 0.269 4.758) 6.396 2.307 ( -4.093 -0.069 4.708) 6.239 2.390 ( 4.945 -3.312 4.176) 7.271 2.656 ( 5.786 4.382 -0.178) 7.260 2.710 ( -0.474 3.212 0.155) 3.251 2.789 ( -5.683 -1.401 -1.145) 5.964 2.804 ( -4.931 2.748 -4.755) 7.381 2.894 ( -7.560 0.224 -4.533) 8.818 2.960 ( -5.021 -1.855 -2.677) 5.985 3.055 ( -0.730 2.858 -1.887) 3.501 3.153 ( -6.797 4.452 -3.246) 8.749 3.216 ( 1.037 -2.143 1.204) 2.668 3.262 ( 0.173 -1.966 3.994) 4.455 3.330 ( 1.967 -2.047 -0.206) 2.847 3.351 ( 3.375 -1.216 -1.924) 4.070 3.452 ( 1.307 0.481 -4.499) 4.710 3.599 ( -1.618 -0.038 -2.700) 3.148 3.621 ( 1.582 -0.852 -5.200) 5.502 3.656 ( 2.431 0.491 -2.650) 3.630 3.671 ( -1.511 -0.566 -2.783) 3.217 3.788 ( 4.993 0.034 -4.320) 6.603 3.941 ( -1.480 -0.641 3.031) 3.433 4.027 ( -2.510 2.632 -0.991) 3.769 4.112 ( 3.964 -2.378 3.421) 5.751 4.279 ( -1.429 -1.705 -5.034) 5.503 4.300 ( 1.683 -1.135 -0.055) 2.031 4.378 ( 4.112 2.310 -2.120) 5.171 4.392 ( -2.597 -0.728 0.444) 2.734 4.572 ( -0.516 3.633 -0.749) 3.745 4.622 ( -0.371 2.894 1.110) 3.122 4.675 ( 2.009 0.082 -4.915) 5.310 4.843 ( 0.779 -5.144 -3.148) 6.081 4.981 ( 4.656 1.196 0.313) 4.817 5.041 ( 0.877 0.013 -1.760) 1.967 5.095 ( 3.097 -2.031 2.762) 4.620 5.174 ( -1.159 -1.164 1.378) 2.144 5.200 ( -2.960 -2.223 -2.489) 4.461 5.344 ( 7.803 1.388 -2.848) 8.422 5.440 ( 0.065 1.473 -1.005) 1.785 5.546 ( 4.711 -1.438 -2.113) 5.360 5.642 ( 2.341 -3.626 0.096) 4.317 5.896 ( -1.967 2.939 -0.543) 3.578 6.018 ( 2.937 2.961 -0.782) 4.243 6.170 ( -0.527 0.912 7.619) 7.692 6.281 ( 0.425 -0.878 1.890) 2.127 6.327 ( 2.712 1.806 6.570) 7.334 6.390 ( 1.601 2.314 1.206) 3.062 6.489 ( -5.844 -3.777 4.622) 8.353 6.576 ( -4.189 -2.247 1.782) 5.076 6.640 ( -1.140 2.171 -1.071) 2.676 6.767 ( -0.853 -0.359 -2.306) 2.485 6.800 ( 1.142 -1.304 -3.259) 3.692 6.897 ( 1.649 -3.503 -4.260) 5.757 6.987 ( -0.185 2.239 1.438) 2.667 7.116 ( -0.024 0.724 -0.289) 0.780 7.163 ( 0.400 0.714 -0.721) 1.090 7.238 ( 0.253 1.065 -0.357) 1.152 7.582 ( -1.631 -1.324 9.873) 10.094 7.725 ( -0.498 -4.641 10.619) 11.600 8.057 ( -13.120 2.649 -4.770) 14.209 8.200 ( -8.135 -1.105 -5.850) 10.081 9.286 ( 3.703 0.736 -0.064) 3.776 9.350 ( 3.496 -0.279 -0.185) 3.512 9.375 ( 1.584 1.907 -3.140) 4.000 9.478 ( -0.066 -0.529 -4.510) 4.541 9.969 ( 2.986 0.091 10.018) 10.454 9.984 ( 3.274 -0.235 9.596) 10.142 10.287 ( -5.973 0.903 -0.865) 6.102 10.358 ( -6.944 -0.590 -4.636) 8.370 10.481 ( 2.092 0.640 -2.770) 3.530 10.545 ( 1.501 -0.727 -0.436) 1.724 10.572 ( -2.401 0.731 -2.848) 3.797 10.646 ( -4.900 -0.889 -2.704) 5.666 11.775 ( 6.653 -0.374 6.121) 9.048 11.805 ( 8.832 -1.020 5.586) 10.500 11.912 ( 5.131 1.402 2.386) 5.829 11.981 ( 8.949 -0.137 0.931) 8.998 12.525 ( 0.631 1.726 7.924) 8.134 12.683 ( 4.492 -1.527 4.269) 6.383 12.828 ( -4.418 1.177 -6.887) 8.266 12.998 ( 5.218 -2.171 -11.463) 12.780 14.098 ( -0.215 1.202 4.656) 4.814 14.179 ( -1.205 1.021 1.919) 2.486 14.326 ( -12.354 -4.249 6.402) 14.548 14.368 ( -8.730 -2.865 5.212) 10.563 14.937 ( 3.082 0.254 8.459) 9.007 15.079 ( -1.877 -3.850 4.663) 6.332 15.231 ( -6.040 1.020 -6.977) 9.284 15.334 ( -8.252 -1.277 -7.147) 10.991 15.597 ( 4.320 0.282 1.158) 4.481 15.675 ( 3.058 1.234 -1.277) 3.536 15.742 ( 2.631 -2.482 -0.606) 3.667 15.856 ( 2.716 -0.080 -1.564) 3.135 16.213 ( 0.706 -2.767 2.952) 4.107 16.274 ( 3.918 0.959 0.091) 4.034 16.302 ( 3.606 -0.438 -0.567) 3.676 16.392 ( -1.088 -0.810 0.320) 1.394 16.536 ( 1.748 1.298 1.348) 2.561 16.812 ( 0.081 -4.441 -4.166) 6.090 17.105 ( -4.330 6.489 -5.914) 9.790 17.299 ( 3.553 5.948 -0.650) 6.959 17.536 ( 3.529 1.257 0.397) 3.767 17.577 ( 0.733 0.091 2.413) 2.523 17.675 ( -1.556 1.803 -4.768) 5.329 17.778 ( -2.558 -0.702 -7.533) 7.987 ======================= Grid point 82 (33/45) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 2.911 -2.985 2.103) 4.670 1.022 ( 1.113 -1.543 -2.024) 2.778 1.058 ( -0.054 -2.912 -3.493) 4.548 1.144 ( -7.254 0.340 -0.977) 7.327 1.330 ( 3.709 -0.154 5.730) 6.828 1.523 ( 1.462 0.083 -0.314) 1.498 1.558 ( 1.131 -2.037 1.793) 2.940 1.605 ( -1.528 -0.647 -0.682) 1.795 1.675 ( 2.677 4.098 0.140) 4.897 1.777 ( -3.061 0.565 1.098) 3.301 1.813 ( 2.408 1.178 -1.014) 2.866 1.913 ( -4.273 -0.112 0.089) 4.275 1.965 ( -0.959 -1.172 -0.006) 1.514 2.081 ( -5.651 0.354 4.835) 7.445 2.129 ( -10.565 2.292 5.606) 12.178 2.170 ( -5.853 -3.409 4.441) 8.100 2.367 ( 11.312 -1.203 9.186) 14.622 2.491 ( 6.543 -2.729 6.284) 9.474 2.592 ( -6.164 -0.773 -2.482) 6.690 2.671 ( -7.502 -4.080 -0.637) 8.564 2.748 ( 1.503 4.084 2.377) 4.959 2.759 ( -2.023 3.697 -1.280) 4.404 2.878 ( 4.210 2.365 -1.419) 5.033 2.930 ( 4.002 2.118 -1.644) 4.817 3.006 ( -5.900 3.277 -1.495) 6.912 3.019 ( -5.372 3.712 -1.074) 6.617 3.257 ( 1.152 -4.822 -0.475) 4.981 3.287 ( 2.269 -6.026 1.059) 6.526 3.371 ( 3.809 -1.204 -1.568) 4.291 3.407 ( 1.780 -1.442 -4.727) 5.253 3.460 ( -0.171 -1.487 -4.064) 4.331 3.497 ( -5.746 -2.284 -3.796) 7.255 3.632 ( 0.031 1.255 0.927) 1.560 3.669 ( 0.283 2.428 -4.416) 5.047 3.714 ( 1.555 2.109 -5.889) 6.445 3.839 ( 0.140 4.323 -7.849) 8.962 3.935 ( 0.839 -1.555 1.751) 2.487 3.972 ( -2.743 0.088 -0.440) 2.779 4.203 ( 4.593 -5.018 7.158) 9.875 4.245 ( -0.553 0.919 -7.161) 7.241 4.299 ( -2.164 -3.788 4.960) 6.605 4.371 ( 0.524 3.188 -0.017) 3.231 4.490 ( 3.922 1.589 2.560) 4.946 4.514 ( -2.423 0.592 -0.074) 2.495 4.647 ( -1.466 1.760 -5.040) 5.536 4.672 ( 1.306 1.724 -0.652) 2.259 4.847 ( -0.926 -5.866 -2.631) 6.496 5.006 ( 2.263 1.304 1.346) 2.938 5.078 ( 3.394 -0.526 1.513) 3.753 5.142 ( -2.775 -1.360 4.938) 5.826 5.156 ( 0.349 0.357 1.155) 1.258 5.244 ( 2.149 -0.255 2.751) 3.501 5.419 ( 4.032 2.992 -1.700) 5.301 5.489 ( 2.185 2.112 -0.050) 3.039 5.648 ( 2.983 -1.431 -0.889) 3.425 5.662 ( 0.689 -2.747 -0.602) 2.895 5.876 ( -0.201 -0.273 -2.671) 2.692 6.072 ( 3.201 2.664 -1.347) 4.377 6.160 ( 0.516 -1.503 5.666) 5.885 6.263 ( -4.736 -3.059 0.445) 5.656 6.337 ( -4.222 0.055 8.182) 9.208 6.378 ( 0.293 2.204 1.481) 2.671 6.446 ( 3.663 -0.634 1.738) 4.104 6.508 ( -2.789 -2.402 2.604) 4.509 6.632 ( -0.033 3.228 -2.175) 3.893 6.702 ( -2.880 3.739 -4.646) 6.622 6.863 ( 3.444 -1.175 -4.571) 5.843 6.908 ( -1.085 -2.195 -4.802) 5.390 7.007 ( 2.006 -0.947 -0.112) 2.221 7.128 ( 0.903 -1.682 -0.662) 2.021 7.148 ( -1.358 1.701 -0.243) 2.190 7.270 ( 1.846 2.647 -1.288) 3.474 7.548 ( -1.533 -3.402 4.820) 6.095 7.745 ( 2.984 -4.805 6.483) 8.603 7.832 ( -8.218 4.184 2.661) 9.599 8.012 ( -8.790 0.142 2.567) 9.159 9.338 ( 1.330 0.520 -1.322) 1.946 9.386 ( 0.894 2.193 -2.642) 3.548 9.421 ( 1.843 -1.061 -1.695) 2.719 9.476 ( -0.193 0.090 -2.832) 2.840 10.053 ( 5.512 0.207 5.534) 7.813 10.083 ( 6.731 -0.422 3.990) 7.836 10.168 ( -6.286 0.587 1.000) 6.392 10.220 ( -7.306 -0.480 -1.178) 7.416 10.507 ( 0.800 0.562 -1.638) 1.907 10.530 ( -1.536 0.630 -1.649) 2.340 10.559 ( 0.286 -0.544 -0.930) 1.115 10.579 ( -1.870 -0.423 -1.230) 2.277 11.883 ( 3.369 -1.507 3.370) 4.998 11.958 ( 5.163 -3.080 2.990) 6.714 12.011 ( 3.837 3.436 3.485) 6.219 12.107 ( 3.417 1.451 3.051) 4.805 12.571 ( 4.499 1.504 5.857) 7.537 12.707 ( -6.508 1.869 0.448) 6.786 12.810 ( 6.470 -4.692 2.688) 8.432 13.036 ( -2.209 -3.002 -4.854) 6.120 14.106 ( 1.467 0.327 2.513) 2.928 14.152 ( -1.791 0.284 1.775) 2.537 14.158 ( -2.063 -0.586 2.971) 3.665 14.216 ( -7.336 -0.901 1.318) 7.508 15.012 ( 5.242 -0.162 2.579) 5.844 15.061 ( 0.889 -1.557 0.657) 1.910 15.115 ( -5.351 0.211 -3.396) 6.341 15.162 ( -8.786 -0.927 -3.479) 9.495 15.665 ( 2.092 0.130 0.344) 2.124 15.728 ( 1.845 2.443 0.604) 3.120 15.793 ( 1.907 -2.835 -1.408) 3.695 15.872 ( -0.231 -0.281 -0.943) 1.011 16.198 ( -0.968 -3.086 1.554) 3.588 16.332 ( 1.068 1.929 0.114) 2.208 16.370 ( 2.784 -0.834 1.880) 3.462 16.416 ( 1.789 -0.308 3.239) 3.713 16.548 ( 0.150 -2.382 -5.197) 5.719 16.824 ( 0.783 -11.282 -2.201) 11.521 17.037 ( -2.328 12.273 -6.147) 13.922 17.346 ( 1.314 6.470 2.965) 7.237 17.597 ( 1.539 0.430 0.193) 1.610 17.616 ( 3.390 0.430 -3.111) 4.621 17.641 ( -0.815 1.284 -3.059) 3.416 17.713 ( -4.076 -0.093 -6.391) 7.581 ======================= Grid point 85 (34/45) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 -2.714 -9.054) 9.452 0.743 ( 0.000 -6.910 -11.596) 13.498 1.241 ( 0.000 2.123 3.801) 4.353 1.289 ( 0.000 -1.238 1.771) 2.161 1.380 ( 0.000 9.265 8.333) 12.461 1.553 ( 0.000 -1.281 12.537) 12.603 1.566 ( 0.000 1.281 5.909) 6.046 1.593 ( 0.000 -0.310 17.717) 17.719 1.701 ( 0.000 -1.188 5.104) 5.241 1.803 ( 0.000 -1.801 6.145) 6.403 1.852 ( 0.000 -2.626 0.881) 2.770 1.921 ( 0.000 -3.464 5.244) 6.285 2.053 ( 0.000 -0.091 -1.603) 1.605 2.053 ( 0.000 -0.001 -1.860) 1.860 2.196 ( 0.000 0.104 -9.355) 9.356 2.208 ( 0.000 -1.354 -6.744) 6.878 2.376 ( 0.000 0.569 13.006) 13.019 2.390 ( 0.000 -0.281 9.799) 9.803 2.687 ( 0.000 3.070 -2.230) 3.795 2.712 ( 0.000 0.506 -0.304) 0.590 2.865 ( 0.000 1.283 -0.326) 1.324 2.905 ( 0.000 -2.175 1.164) 2.467 3.036 ( 0.000 2.492 -3.528) 4.320 3.054 ( 0.000 2.945 2.787) 4.055 3.121 ( 0.000 -0.475 -2.829) 2.868 3.173 ( 0.000 -3.656 1.786) 4.069 3.214 ( 0.000 1.795 7.496) 7.708 3.249 ( 0.000 -0.973 3.068) 3.218 3.276 ( 0.000 2.044 -2.674) 3.366 3.324 ( 0.000 -1.373 -5.071) 5.254 3.468 ( 0.000 2.338 -7.653) 8.003 3.519 ( 0.000 -2.317 -7.375) 7.730 3.585 ( 0.000 0.061 1.294) 1.296 3.598 ( 0.000 -1.453 0.208) 1.467 3.708 ( 0.000 0.202 -4.485) 4.490 3.728 ( 0.000 -1.099 -6.884) 6.971 3.986 ( 0.000 0.596 4.362) 4.403 3.997 ( 0.000 -0.734 2.200) 2.319 4.193 ( 0.000 2.988 -1.478) 3.334 4.202 ( 0.000 -0.202 -6.565) 6.568 4.272 ( 0.000 0.559 -1.531) 1.630 4.349 ( 0.000 -4.327 0.124) 4.329 4.513 ( 0.000 4.512 -2.826) 5.324 4.586 ( 0.000 4.207 -8.812) 9.765 4.610 ( 0.000 -3.208 -2.125) 3.848 4.671 ( 0.000 -1.071 -5.094) 5.205 4.771 ( 0.000 -0.702 -2.417) 2.517 4.818 ( 0.000 -3.432 -3.127) 4.643 5.035 ( 0.000 1.717 6.886) 7.097 5.093 ( 0.000 -3.445 4.921) 6.007 5.216 ( 0.000 2.719 -2.380) 3.614 5.246 ( 0.000 0.436 -1.238) 1.313 5.281 ( 0.000 1.620 -4.580) 4.858 5.343 ( 0.000 -3.238 -3.973) 5.125 5.505 ( 0.000 0.095 1.354) 1.358 5.534 ( 0.000 -2.502 0.619) 2.577 6.018 ( 0.000 1.925 -0.958) 2.150 6.027 ( 0.000 1.295 -2.272) 2.615 6.226 ( 0.000 3.758 7.363) 8.267 6.274 ( 0.000 0.413 4.751) 4.769 6.332 ( 0.000 0.677 7.307) 7.338 6.384 ( 0.000 -4.252 9.169) 10.107 6.478 ( 0.000 2.579 -0.899) 2.732 6.559 ( 0.000 -3.672 -0.160) 3.675 6.722 ( 0.000 2.514 -2.387) 3.467 6.732 ( 0.000 1.287 -1.517) 1.990 6.770 ( 0.000 -1.876 -2.470) 3.102 6.798 ( 0.000 -3.735 -4.131) 5.569 7.053 ( 0.000 2.534 3.274) 4.140 7.101 ( 0.000 -1.909 3.412) 3.910 7.210 ( 0.000 2.394 -3.536) 4.270 7.241 ( 0.000 -0.558 -2.691) 2.748 7.592 ( 0.000 0.534 11.896) 11.908 7.638 ( 0.000 -3.660 11.101) 11.688 8.244 ( 0.000 0.170 -7.421) 7.423 8.246 ( 0.000 -0.004 -6.393) 6.393 9.263 ( 0.000 1.123 1.984) 2.280 9.286 ( 0.000 -0.925 2.686) 2.841 9.415 ( 0.000 2.274 -5.574) 6.020 9.456 ( 0.000 -1.433 -5.429) 5.615 9.946 ( 0.000 0.153 11.559) 11.560 9.950 ( 0.000 -0.220 11.418) 11.420 10.402 ( 0.000 1.758 -1.668) 2.424 10.428 ( 0.000 -0.377 -10.124) 10.131 10.465 ( 0.000 -0.070 -3.528) 3.529 10.476 ( 0.000 -1.211 4.810) 4.960 10.628 ( 0.000 1.682 -3.315) 3.717 10.670 ( 0.000 -2.048 -3.545) 4.094 11.704 ( 0.000 0.077 7.147) 7.147 11.705 ( 0.000 0.007 7.150) 7.150 11.864 ( 0.000 0.087 1.159) 1.163 11.864 ( 0.000 0.087 1.162) 1.165 12.571 ( 0.000 2.454 7.009) 7.426 12.618 ( 0.000 -1.658 5.124) 5.385 12.891 ( 0.000 0.420 -9.370) 9.379 12.904 ( 0.000 -0.779 -10.711) 10.739 14.178 ( 0.000 5.039 6.452) 8.187 14.240 ( 0.000 3.186 3.364) 4.633 14.327 ( 0.000 -4.622 4.982) 6.796 14.330 ( 0.000 -8.813 6.459) 10.926 14.932 ( 0.000 2.192 11.724) 11.928 14.994 ( 0.000 -3.684 11.292) 11.878 15.339 ( 0.000 2.003 -8.534) 8.766 15.384 ( 0.000 -2.022 -8.309) 8.551 15.585 ( 0.000 2.717 0.448) 2.754 15.638 ( 0.000 -1.072 -1.648) 1.966 15.701 ( 0.000 -0.141 0.075) 0.160 15.745 ( 0.000 -3.236 -1.855) 3.729 16.207 ( 0.000 1.286 1.880) 2.278 16.235 ( 0.000 -1.266 1.843) 2.236 16.284 ( 0.000 2.686 -2.098) 3.409 16.348 ( 0.000 -3.156 -3.865) 4.990 16.621 ( 0.000 6.099 1.843) 6.371 16.744 ( 0.000 -4.818 -2.501) 5.429 17.270 ( 0.000 3.907 -4.820) 6.205 17.312 ( 0.000 0.542 -6.210) 6.234 17.543 ( 0.000 1.770 2.405) 2.986 17.567 ( 0.000 -0.396 2.417) 2.449 17.738 ( 0.000 2.106 -6.040) 6.397 17.777 ( 0.000 -1.499 -6.895) 7.056 ======================= Grid point 86 (35/45) ======================= q-point: ( 0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 3.717 -1.390 -6.360) 7.496 0.792 ( 4.898 -6.903 -9.345) 12.609 1.171 ( -5.635 3.561 2.605) 7.156 1.254 ( -5.863 -3.794 2.319) 7.358 1.394 ( -0.819 7.006 10.447) 12.605 1.482 ( -3.116 0.750 11.243) 11.691 1.550 ( 4.541 1.342 5.465) 7.231 1.593 ( -0.243 -1.015 1.500) 1.828 1.712 ( 1.172 -2.197 2.487) 3.519 1.764 ( -6.162 -3.307 -0.712) 7.030 1.884 ( -5.671 1.517 -3.033) 6.607 1.919 ( -1.822 -2.249 -1.497) 3.258 2.048 ( 6.895 1.961 4.398) 8.410 2.086 ( 10.684 -1.527 8.508) 13.742 2.216 ( -8.135 0.768 10.267) 13.122 2.245 ( -7.089 -1.440 7.951) 10.749 2.307 ( -2.017 0.519 2.198) 3.028 2.333 ( 2.772 -1.855 1.628) 3.711 2.720 ( 1.319 1.793 -4.132) 4.694 2.748 ( -1.241 -0.867 -3.218) 3.556 2.796 ( -6.595 2.310 -0.627) 7.016 2.836 ( -1.836 -1.066 -2.454) 3.245 2.910 ( -6.294 2.589 -5.176) 8.550 2.951 ( -5.851 0.048 -3.760) 6.955 3.106 ( 0.314 1.191 1.334) 1.816 3.147 ( -1.984 -2.433 1.578) 3.514 3.236 ( -3.587 0.614 2.491) 4.410 3.239 ( -3.592 0.681 -0.139) 3.659 3.302 ( 2.013 0.161 -1.503) 2.517 3.320 ( 2.890 -1.222 -1.690) 3.564 3.481 ( -1.516 2.051 -7.562) 7.980 3.539 ( -3.182 -3.130 -9.253) 10.273 3.633 ( 4.101 1.109 0.640) 4.296 3.658 ( 4.088 -0.597 -1.465) 4.383 3.699 ( 2.743 1.933 -0.983) 3.496 3.750 ( 5.215 -2.662 -2.390) 6.325 3.947 ( -1.846 1.629 2.994) 3.876 4.008 ( 0.563 -3.408 1.943) 3.963 4.151 ( -3.459 4.652 1.591) 6.011 4.243 ( -0.102 -3.262 1.402) 3.552 4.293 ( 1.457 1.848 -2.978) 3.795 4.349 ( 0.964 -2.615 -0.347) 2.809 4.446 ( 0.668 3.777 -5.023) 6.320 4.541 ( -2.960 -4.466 -4.111) 6.754 4.695 ( -0.656 2.270 -2.890) 3.734 4.745 ( 4.325 -0.622 -2.236) 4.908 4.779 ( 2.897 5.569 -0.124) 6.279 4.944 ( 9.930 -6.920 -0.115) 12.104 5.034 ( 1.581 1.548 1.334) 2.584 5.070 ( -2.685 -0.727 0.302) 2.798 5.123 ( -2.154 0.310 0.661) 2.275 5.170 ( -3.827 -2.453 -1.954) 4.948 5.412 ( 9.173 3.889 -3.669) 10.618 5.468 ( 6.435 0.076 -2.031) 6.748 5.512 ( 2.763 -0.565 0.164) 2.825 5.558 ( 1.467 -3.583 1.411) 4.121 5.978 ( -2.965 3.457 -0.104) 4.555 6.029 ( -0.640 -1.238 -0.313) 1.428 6.223 ( -1.131 3.177 4.952) 5.991 6.276 ( -0.679 -0.531 3.664) 3.764 6.356 ( 2.474 0.562 7.501) 7.919 6.378 ( -0.935 -2.780 7.962) 8.485 6.462 ( -1.637 2.203 -0.121) 2.747 6.520 ( -3.739 -2.800 1.112) 4.802 6.702 ( 0.029 3.187 -3.096) 4.444 6.752 ( -0.132 -1.168 -3.270) 3.475 6.781 ( 2.731 -0.000 -3.677) 4.580 6.818 ( 1.915 -3.308 -4.180) 5.664 7.038 ( -1.824 2.288 2.049) 3.573 7.087 ( -1.529 -2.199 2.200) 3.466 7.214 ( 0.576 2.642 -2.656) 3.790 7.251 ( 1.670 -0.421 -2.055) 2.681 7.568 ( -2.294 0.702 9.676) 9.969 7.623 ( -1.120 -4.090 10.012) 10.873 8.116 ( -10.482 2.617 -3.129) 11.248 8.166 ( -8.741 -1.945 -3.492) 9.611 9.308 ( 3.653 1.192 0.386) 3.862 9.333 ( 3.851 -1.044 0.607) 4.036 9.423 ( 0.742 2.108 -4.728) 5.230 9.460 ( 0.379 -1.239 -4.710) 4.885 9.972 ( 3.035 0.212 9.845) 10.304 9.978 ( 3.142 -0.297 9.681) 10.182 10.312 ( -6.434 1.308 -2.065) 6.883 10.339 ( -6.797 -1.115 -3.509) 7.730 10.500 ( 2.108 1.064 -2.024) 3.109 10.524 ( 1.885 -1.115 -1.109) 2.455 10.593 ( -2.926 1.208 -2.696) 4.158 10.621 ( -3.832 -1.302 -2.616) 4.819 11.771 ( 5.958 0.156 5.421) 8.057 11.783 ( 6.825 -0.881 5.176) 8.611 11.945 ( 7.519 1.487 2.770) 8.150 11.971 ( 8.951 -0.825 2.332) 9.287 12.577 ( 0.969 2.834 6.566) 7.216 12.638 ( 2.051 -2.541 4.887) 5.877 12.868 ( -2.268 2.475 -7.056) 7.814 12.934 ( 1.584 -3.371 -8.617) 9.387 14.142 ( -2.669 2.862 5.513) 6.760 14.216 ( -2.408 2.417 2.662) 4.327 14.224 ( -7.429 -4.492 6.621) 10.919 14.288 ( -4.538 -3.877 3.950) 7.158 14.954 ( 2.012 1.389 8.553) 8.896 15.001 ( 0.596 -2.938 7.737) 8.297 15.261 ( -6.909 1.623 -7.052) 10.005 15.299 ( -7.722 -1.801 -7.101) 10.644 15.623 ( 3.514 2.021 0.114) 4.055 15.674 ( 3.173 -2.207 -1.082) 4.014 15.732 ( 3.279 2.484 -0.413) 4.134 15.806 ( 3.631 -3.629 -0.696) 5.181 16.199 ( -0.508 1.121 1.107) 1.655 16.243 ( 1.315 -2.544 0.585) 2.923 16.332 ( 3.944 2.004 -0.793) 4.495 16.368 ( 1.749 -1.300 -1.233) 2.504 16.599 ( -2.156 4.147 -0.591) 4.712 16.701 ( -3.952 -5.041 -3.426) 7.264 17.268 ( 0.398 6.515 -4.562) 7.963 17.354 ( 2.976 -0.981 -2.419) 3.959 17.565 ( 2.193 1.210 0.785) 2.625 17.580 ( 1.379 -0.071 1.165) 1.807 17.718 ( -1.944 1.962 -5.384) 6.051 17.755 ( -2.195 -1.385 -6.449) 6.952 ======================= Grid point 87 (36/45) ======================= q-point: ( 0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 5.069 0.826 -3.632) 6.290 0.909 ( 6.473 -6.045 -5.713) 10.540 1.064 ( -4.522 1.879 -1.223) 5.048 1.117 ( -7.419 -2.493 -0.571) 7.847 1.369 ( -1.376 3.807 8.766) 9.656 1.467 ( 0.414 -4.327 9.222) 10.195 1.558 ( -1.366 0.828 -0.285) 1.623 1.580 ( -2.596 -1.315 3.053) 4.218 1.753 ( 4.946 3.153 -1.025) 5.955 1.799 ( 5.580 0.991 -0.991) 5.753 1.865 ( -0.254 1.208 -3.056) 3.296 1.879 ( 4.886 -1.225 -2.539) 5.641 1.989 ( -6.906 2.640 2.175) 7.707 2.070 ( -7.273 -4.551 3.557) 9.288 2.116 ( -7.199 2.470 1.547) 7.766 2.158 ( -8.443 -0.513 2.773) 8.902 2.361 ( 10.546 1.083 8.102) 13.343 2.418 ( 7.998 -3.614 6.699) 11.041 2.567 ( -10.189 -0.262 -1.401) 10.288 2.594 ( -9.311 -2.655 -0.210) 9.684 2.797 ( 1.428 3.133 -0.317) 3.458 2.874 ( 3.827 -3.040 -1.270) 5.049 2.923 ( 1.469 6.742 0.262) 6.905 2.968 ( 5.708 2.218 -1.077) 6.218 3.069 ( -4.743 0.953 -0.001) 4.838 3.105 ( -2.071 1.158 -1.486) 2.800 3.149 ( -3.658 -2.668 0.133) 4.529 3.182 ( -1.053 -2.828 -1.005) 3.181 3.345 ( 2.373 -0.174 -2.872) 3.730 3.372 ( 2.332 -1.988 -3.032) 4.311 3.428 ( -3.357 -0.868 -5.238) 6.282 3.441 ( -4.377 -1.942 -5.283) 7.130 3.686 ( 1.683 2.743 0.950) 3.355 3.720 ( 3.007 0.556 -4.056) 5.079 3.757 ( 0.287 2.752 -3.880) 4.765 3.832 ( 1.450 -3.349 -4.931) 6.135 3.952 ( 2.510 3.317 0.986) 4.275 4.042 ( -0.845 2.797 0.880) 3.052 4.081 ( 0.436 -3.180 3.481) 4.735 4.189 ( -3.797 -5.912 2.042) 7.317 4.311 ( 0.484 4.456 -6.431) 7.839 4.404 ( 3.479 -2.185 -1.918) 4.534 4.467 ( -1.756 0.158 1.170) 2.116 4.505 ( 0.429 -1.961 2.562) 3.255 4.668 ( -1.401 2.614 -3.092) 4.284 4.739 ( -0.712 -3.600 -1.736) 4.060 4.831 ( -0.685 8.521 1.251) 8.640 5.003 ( -1.674 -6.038 1.203) 6.380 5.043 ( 2.500 1.742 2.062) 3.679 5.098 ( 3.271 -3.263 1.004) 4.728 5.169 ( 2.771 2.479 3.722) 5.261 5.221 ( 5.148 -1.860 2.957) 6.221 5.507 ( 2.772 3.378 0.734) 4.431 5.543 ( 1.835 3.408 -1.841) 4.287 5.573 ( 0.222 -3.455 3.183) 4.702 5.617 ( 3.499 -2.643 -3.854) 5.838 5.933 ( -1.030 4.454 -1.095) 4.701 6.035 ( 2.128 -4.296 1.144) 4.929 6.167 ( -3.548 0.965 0.037) 3.677 6.199 ( -6.079 -2.282 -0.733) 6.535 6.365 ( -0.057 2.332 8.257) 8.581 6.407 ( 2.283 -0.410 5.715) 6.168 6.435 ( -1.017 0.218 1.650) 1.951 6.460 ( -2.083 -1.824 1.420) 3.112 6.719 ( 1.102 4.325 -3.122) 5.447 6.773 ( 2.165 1.722 -4.623) 5.388 6.827 ( 0.448 -1.915 -4.195) 4.633 6.848 ( 0.870 -2.536 -5.165) 5.820 7.009 ( -0.267 1.293 -0.015) 1.321 7.060 ( -0.575 -3.084 0.101) 3.139 7.224 ( 0.090 3.781 -0.672) 3.841 7.290 ( 1.395 -1.486 -1.478) 2.518 7.526 ( -1.478 2.077 5.008) 5.619 7.620 ( 0.918 -5.738 5.348) 7.897 7.927 ( -7.089 3.881 3.400) 8.768 7.992 ( -6.958 -2.004 3.646) 8.108 9.360 ( 1.346 1.323 -1.451) 2.380 9.390 ( 1.640 -1.385 -1.769) 2.781 9.437 ( 0.482 1.943 -2.818) 3.457 9.468 ( 0.394 -0.859 -2.795) 2.950 10.060 ( 5.867 0.449 5.030) 7.741 10.071 ( 6.335 -0.571 4.437) 7.755 10.185 ( -6.675 0.919 0.271) 6.744 10.206 ( -7.055 -0.858 -0.560) 7.129 10.524 ( 0.516 0.883 -1.436) 1.763 10.543 ( 0.312 -0.867 -1.181) 1.498 10.547 ( -1.417 0.893 -1.413) 2.191 10.566 ( -1.548 -0.771 -1.246) 2.131 11.869 ( 3.163 0.342 2.915) 4.315 11.898 ( 3.760 -2.189 2.648) 5.093 12.081 ( 4.828 2.647 3.688) 6.628 12.117 ( 4.758 -0.607 3.730) 6.077 12.619 ( 3.135 2.845 4.573) 6.232 12.695 ( 3.511 -4.040 3.322) 6.300 12.794 ( -4.866 4.824 0.527) 6.872 12.926 ( -2.150 -6.465 -1.620) 7.003 14.117 ( 0.525 0.748 2.810) 2.954 14.137 ( -0.803 -0.976 3.341) 3.572 14.168 ( -2.386 0.912 1.662) 3.047 14.192 ( -4.667 -1.222 1.772) 5.140 15.012 ( 4.572 0.296 2.544) 5.240 15.029 ( 2.956 -1.202 1.980) 3.756 15.123 ( -6.763 0.525 -3.304) 7.545 15.139 ( -8.141 -0.977 -3.295) 8.836 15.685 ( 2.107 1.630 -0.570) 2.724 15.732 ( 2.173 -2.598 -1.376) 3.656 15.786 ( 1.700 2.739 0.591) 3.277 15.842 ( 0.393 -2.209 -0.038) 2.244 16.189 ( -0.364 2.505 -0.001) 2.531 16.288 ( 2.449 -5.392 2.125) 6.292 16.386 ( 0.534 1.680 1.095) 2.075 16.409 ( 2.683 -0.355 1.450) 3.071 16.552 ( -2.314 2.088 -4.806) 5.728 16.632 ( -2.234 -5.680 -5.726) 8.369 17.280 ( 0.510 8.764 -2.577) 9.149 17.397 ( 1.256 -1.728 1.225) 2.462 17.614 ( 2.651 0.922 -0.945) 2.962 17.625 ( 3.167 0.067 -2.410) 3.980 17.670 ( -2.861 1.402 -3.565) 4.781 17.701 ( -3.258 -1.125 -5.430) 6.431 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 0.000 -7.243) 7.243 1.021 ( 0.000 0.000 7.243) 7.243 1.201 ( 0.000 0.000 -4.244) 4.244 1.201 ( 0.000 0.000 4.244) 4.244 1.239 ( 0.000 0.000 -5.384) 5.384 1.239 ( 0.000 0.000 5.384) 5.384 1.857 ( 0.000 0.000 -14.791) 14.791 1.857 ( 0.000 0.000 14.791) 14.791 1.877 ( 0.000 0.000 -8.380) 8.380 1.877 ( 0.000 0.000 8.380) 8.380 1.914 ( 0.000 0.000 -8.598) 8.598 1.914 ( 0.000 0.000 8.598) 8.598 2.031 ( 0.000 0.000 -2.939) 2.939 2.031 ( 0.000 0.000 2.939) 2.939 2.276 ( 0.000 0.000 -6.682) 6.682 2.276 ( 0.000 0.000 6.682) 6.682 2.390 ( 0.000 0.000 -1.840) 1.840 2.390 ( 0.000 0.000 1.840) 1.840 2.737 ( 0.000 0.000 -3.398) 3.398 2.737 ( 0.000 0.000 3.398) 3.398 2.868 ( 0.000 0.000 -20.088) 20.088 2.868 ( 0.000 0.000 20.088) 20.088 2.964 ( 0.000 0.000 -1.201) 1.201 2.964 ( 0.000 0.000 1.201) 1.201 3.053 ( 0.000 0.000 -4.203) 4.203 3.053 ( 0.000 0.000 4.203) 4.203 3.298 ( 0.000 0.000 -2.607) 2.607 3.298 ( 0.000 0.000 2.607) 2.607 3.329 ( 0.000 0.000 -2.586) 2.586 3.329 ( 0.000 0.000 2.586) 2.586 3.519 ( 0.000 0.000 -13.442) 13.442 3.519 ( 0.000 0.000 13.442) 13.442 3.542 ( 0.000 0.000 -1.340) 1.340 3.542 ( 0.000 0.000 1.340) 1.340 3.694 ( 0.000 0.000 -1.146) 1.146 3.694 ( 0.000 0.000 1.146) 1.146 4.004 ( 0.000 0.000 -0.311) 0.311 4.004 ( 0.000 0.000 0.311) 0.311 4.071 ( 0.000 0.000 -7.352) 7.352 4.071 ( 0.000 0.000 7.352) 7.352 4.308 ( 0.000 0.000 -0.858) 0.858 4.308 ( 0.000 0.000 0.858) 0.858 4.519 ( 0.000 0.000 -3.199) 3.199 4.519 ( 0.000 0.000 3.199) 3.199 4.551 ( 0.000 0.000 -7.550) 7.550 4.551 ( 0.000 0.000 7.550) 7.550 4.882 ( 0.000 0.000 -1.940) 1.940 4.882 ( 0.000 0.000 1.940) 1.940 5.078 ( 0.000 0.000 -2.606) 2.606 5.078 ( 0.000 0.000 2.606) 2.606 5.221 ( 0.000 0.000 -6.660) 6.660 5.221 ( 0.000 0.000 6.660) 6.660 5.301 ( 0.000 0.000 -5.168) 5.168 5.301 ( 0.000 0.000 5.168) 5.168 5.619 ( 0.000 0.000 -3.458) 3.458 5.619 ( 0.000 0.000 3.458) 3.458 5.877 ( 0.000 0.000 -1.999) 1.999 5.877 ( 0.000 0.000 1.999) 1.999 6.278 ( 0.000 0.000 -3.187) 3.187 6.278 ( 0.000 0.000 3.187) 3.187 6.336 ( 0.000 0.000 -0.247) 0.247 6.336 ( 0.000 0.000 0.247) 0.247 6.631 ( 0.000 0.000 -3.310) 3.310 6.631 ( 0.000 0.000 3.310) 3.310 6.752 ( 0.000 0.000 -6.100) 6.100 6.752 ( 0.000 0.000 6.100) 6.100 6.827 ( 0.000 0.000 -5.347) 5.347 6.827 ( 0.000 0.000 5.347) 5.347 7.003 ( 0.000 0.000 -3.761) 3.761 7.003 ( 0.000 0.000 3.761) 3.761 7.217 ( 0.000 0.000 -2.638) 2.638 7.217 ( 0.000 0.000 2.638) 2.638 7.916 ( 0.000 0.000 -16.536) 16.536 7.916 ( 0.000 0.000 16.536) 16.536 8.040 ( 0.000 0.000 -12.014) 12.014 8.040 ( 0.000 0.000 12.014) 12.014 9.265 ( 0.000 0.000 -2.445) 2.445 9.265 ( 0.000 0.000 2.445) 2.445 9.391 ( 0.000 0.000 -4.552) 4.552 9.391 ( 0.000 0.000 4.552) 4.552 10.185 ( 0.000 0.000 -12.307) 12.307 10.185 ( 0.000 0.000 12.307) 12.307 10.189 ( 0.000 0.000 -11.812) 11.812 10.189 ( 0.000 0.000 11.812) 11.812 10.507 ( 0.000 0.000 -4.580) 4.580 10.507 ( 0.000 0.000 4.580) 4.580 10.631 ( 0.000 0.000 -5.265) 5.265 10.631 ( 0.000 0.000 5.265) 5.265 11.824 ( 0.000 0.000 -4.506) 4.506 11.824 ( 0.000 0.000 4.506) 4.506 11.828 ( 0.000 0.000 -4.418) 4.418 11.828 ( 0.000 0.000 4.418) 4.418 12.692 ( 0.000 0.000 -10.270) 10.270 12.692 ( 0.000 0.000 10.270) 10.270 12.734 ( 0.000 0.000 -5.891) 5.891 12.734 ( 0.000 0.000 5.891) 5.891 14.170 ( 0.000 0.000 -2.665) 2.665 14.170 ( 0.000 0.000 2.665) 2.665 14.600 ( 0.000 0.000 -5.024) 5.024 14.600 ( 0.000 0.000 5.024) 5.024 15.099 ( 0.000 0.000 -10.072) 10.072 15.099 ( 0.000 0.000 10.072) 10.072 15.290 ( 0.000 0.000 -6.939) 6.939 15.290 ( 0.000 0.000 6.939) 6.939 15.595 ( 0.000 0.000 -2.391) 2.391 15.595 ( 0.000 0.000 2.391) 2.391 15.739 ( 0.000 0.000 -0.252) 0.252 15.739 ( 0.000 0.000 0.252) 0.252 16.211 ( 0.000 0.000 -2.963) 2.963 16.211 ( 0.000 0.000 2.963) 2.963 16.403 ( 0.000 0.000 -4.849) 4.849 16.403 ( 0.000 0.000 4.849) 4.849 16.626 ( 0.000 0.000 -10.542) 10.542 16.626 ( 0.000 0.000 10.542) 10.542 17.111 ( 0.000 0.000 -1.122) 1.122 17.111 ( 0.000 0.000 1.122) 1.122 17.561 ( 0.000 0.000 -4.852) 4.852 17.561 ( 0.000 0.000 4.852) 4.852 17.668 ( 0.000 0.000 -6.011) 6.011 17.668 ( 0.000 0.000 6.011) 6.011 ======================= Grid point 102 (38/45) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 0.100 0.000 -7.394) 7.395 1.023 ( 0.100 0.000 7.394) 7.395 1.105 ( -3.036 0.000 0.000) 3.036 1.105 ( -3.036 0.000 0.000) 3.036 1.409 ( 8.357 0.000 -0.936) 8.409 1.409 ( 8.357 0.000 0.936) 8.409 1.614 ( -10.149 0.000 -9.395) 13.830 1.614 ( -10.149 0.000 9.395) 13.830 1.706 ( -9.971 0.000 -6.306) 11.798 1.706 ( -9.971 0.000 6.306) 11.798 2.025 ( -3.103 0.000 -4.629) 5.573 2.025 ( -3.103 0.000 4.629) 5.573 2.114 ( 3.276 0.000 -0.882) 3.393 2.114 ( 3.276 0.000 0.882) 3.393 2.341 ( 7.581 0.000 -4.622) 8.879 2.341 ( 7.581 0.000 4.622) 8.879 2.500 ( 2.574 0.000 -8.992) 9.353 2.500 ( 2.574 0.000 8.992) 9.353 2.597 ( -9.793 0.000 -8.480) 12.954 2.597 ( -9.793 0.000 8.480) 12.954 2.765 ( -3.268 0.000 -7.252) 7.955 2.765 ( -3.268 0.000 7.252) 7.955 2.874 ( -8.451 0.000 -3.350) 9.091 2.874 ( -8.451 0.000 3.351) 9.091 3.014 ( -0.835 0.000 -0.522) 0.985 3.014 ( -0.835 0.000 0.522) 0.985 3.283 ( 0.288 0.000 -2.987) 3.001 3.283 ( 0.288 0.000 2.987) 3.001 3.375 ( 2.017 0.000 -2.145) 2.944 3.375 ( 2.017 0.000 2.145) 2.944 3.529 ( -0.597 0.000 -6.805) 6.832 3.529 ( -0.597 0.000 6.805) 6.832 3.557 ( 0.460 0.000 -1.828) 1.885 3.557 ( 0.460 0.000 1.828) 1.885 3.695 ( -0.438 0.000 -0.585) 0.731 3.695 ( -0.438 0.000 0.585) 0.731 3.986 ( 0.034 0.000 -0.811) 0.812 3.986 ( 0.034 0.000 0.811) 0.812 4.194 ( 7.582 0.000 -4.056) 8.598 4.194 ( 7.582 0.000 4.056) 8.598 4.311 ( 0.529 0.000 -0.647) 0.836 4.311 ( 0.529 0.000 0.647) 0.836 4.536 ( 2.738 0.000 -8.712) 9.132 4.536 ( 2.738 0.000 8.712) 9.132 4.557 ( -1.112 0.000 -3.489) 3.662 4.557 ( -1.112 0.000 3.489) 3.662 4.934 ( 2.251 0.000 -0.560) 2.319 4.934 ( 2.251 0.000 0.560) 2.319 5.060 ( 1.155 0.000 -0.022) 1.155 5.060 ( 1.155 0.000 0.022) 1.155 5.198 ( 3.059 0.000 -0.947) 3.202 5.198 ( 3.059 0.000 0.947) 3.202 5.375 ( 1.912 0.000 -1.844) 2.657 5.375 ( 1.912 0.000 1.844) 2.657 5.592 ( -0.397 0.000 -3.736) 3.757 5.592 ( -0.397 0.000 3.736) 3.757 5.925 ( 3.037 0.000 -0.756) 3.130 5.925 ( 3.037 0.000 0.756) 3.130 6.295 ( 1.451 0.000 -4.249) 4.490 6.295 ( 1.451 0.000 4.249) 4.490 6.347 ( 1.259 0.000 -0.551) 1.374 6.347 ( 1.259 0.000 0.551) 1.374 6.606 ( -1.868 0.000 -2.888) 3.439 6.606 ( -1.868 0.000 2.888) 3.439 6.682 ( -7.289 0.000 -5.316) 9.022 6.682 ( -7.289 0.000 5.316) 9.022 6.841 ( 0.733 0.000 -4.361) 4.422 6.841 ( 0.733 0.000 4.361) 4.422 7.015 ( 1.572 0.000 -3.189) 3.556 7.015 ( 1.572 0.000 3.189) 3.556 7.207 ( -0.629 0.000 -1.516) 1.641 7.207 ( -0.629 0.000 1.516) 1.641 7.831 ( -7.140 0.000 -11.079) 13.180 7.831 ( -7.140 0.000 11.079) 13.180 8.022 ( -2.511 0.000 -10.785) 11.074 8.022 ( -2.511 0.000 10.785) 11.074 9.289 ( 2.198 0.000 -1.469) 2.643 9.289 ( 2.198 0.000 1.469) 2.643 9.407 ( 1.393 0.000 -3.159) 3.452 9.407 ( 1.393 0.000 3.159) 3.452 10.163 ( -1.392 0.000 -8.917) 9.025 10.163 ( -1.392 0.000 8.917) 9.025 10.187 ( -0.890 0.000 -10.287) 10.326 10.187 ( -0.890 0.000 10.287) 10.326 10.499 ( -0.562 0.000 -3.234) 3.282 10.499 ( -0.562 0.000 3.234) 3.282 10.596 ( -2.518 0.000 -3.095) 3.990 10.596 ( -2.518 0.000 3.095) 3.990 11.885 ( 5.180 0.000 -2.842) 5.908 11.885 ( 5.180 0.000 2.842) 5.908 11.937 ( 9.276 0.000 -4.446) 10.287 11.937 ( 9.276 0.000 4.446) 10.287 12.665 ( -1.160 0.000 -7.759) 7.845 12.665 ( -1.160 0.000 7.759) 7.845 12.814 ( 6.490 0.000 -7.632) 10.018 12.814 ( 6.490 0.000 7.632) 10.018 14.159 ( -0.988 0.000 -2.403) 2.599 14.159 ( -0.988 0.000 2.403) 2.599 14.453 ( -13.100 0.000 -0.399) 13.106 14.453 ( -13.100 0.000 0.399) 13.106 15.083 ( -1.406 0.000 -6.727) 6.873 15.083 ( -1.406 0.000 6.727) 6.873 15.211 ( -6.449 0.000 -6.135) 8.901 15.211 ( -6.449 0.000 6.135) 8.901 15.629 ( 3.318 0.000 -1.174) 3.520 15.629 ( 3.318 0.000 1.174) 3.520 15.797 ( 3.631 0.000 -0.031) 3.631 15.797 ( 3.631 0.000 0.031) 3.631 16.271 ( 4.826 0.000 -1.751) 5.134 16.271 ( 4.826 0.000 1.751) 5.134 16.372 ( -1.226 0.000 -3.753) 3.948 16.372 ( -1.226 0.000 3.753) 3.948 16.645 ( 0.706 0.000 -8.487) 8.516 16.645 ( 0.706 0.000 8.487) 8.516 17.123 ( 1.231 0.000 -0.369) 1.285 17.123 ( 1.231 0.000 0.369) 1.285 17.567 ( 0.610 0.000 -3.682) 3.732 17.567 ( 0.610 0.000 3.682) 3.732 17.655 ( -1.270 0.000 -5.123) 5.279 17.655 ( -1.270 0.000 5.123) 5.279 ======================= Grid point 104 (39/45) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.028 0.000 -5.244) 5.244 1.020 ( 0.028 0.000 5.244) 5.244 1.054 ( -3.163 0.000 -1.149) 3.366 1.054 ( -3.163 0.000 1.149) 3.366 1.450 ( 0.585 0.000 -5.563) 5.594 1.450 ( 0.585 0.000 5.563) 5.594 1.551 ( 1.574 0.000 -0.048) 1.575 1.551 ( 1.574 0.000 0.048) 1.575 1.677 ( 1.880 0.000 -0.629) 1.982 1.677 ( 1.880 0.000 0.629) 1.982 1.892 ( -6.624 0.000 -2.525) 7.089 1.892 ( -6.624 0.000 2.525) 7.089 2.059 ( -6.172 0.000 -0.213) 6.175 2.059 ( -6.172 0.000 0.213) 6.175 2.270 ( -7.203 0.000 -3.410) 7.969 2.270 ( -7.203 0.000 3.410) 7.969 2.508 ( 4.079 0.000 -3.675) 5.490 2.508 ( 4.079 0.000 3.675) 5.490 2.647 ( -3.191 0.000 -5.142) 6.051 2.647 ( -3.191 0.000 5.142) 6.051 2.723 ( 7.141 0.000 -2.808) 7.673 2.723 ( 7.141 0.000 2.808) 7.673 2.848 ( 1.734 0.000 -0.002) 1.734 2.848 ( 1.734 0.000 0.002) 1.734 2.960 ( -4.709 0.000 -0.002) 4.709 2.960 ( -4.709 0.000 0.002) 4.709 3.338 ( 4.332 0.000 -1.222) 4.501 3.338 ( 4.332 0.000 1.222) 4.501 3.388 ( -0.631 0.000 -2.708) 2.781 3.388 ( -0.631 0.000 2.708) 2.781 3.481 ( -2.459 0.000 -0.016) 2.459 3.481 ( -2.459 0.000 0.016) 2.459 3.580 ( 2.378 0.000 -0.489) 2.428 3.580 ( 2.378 0.000 0.489) 2.428 3.653 ( -3.990 0.000 -2.420) 4.667 3.653 ( -3.990 0.000 2.420) 4.667 4.001 ( 0.797 0.000 -0.034) 0.798 4.001 ( 0.797 0.000 0.034) 0.798 4.206 ( -1.971 0.000 -0.010) 1.971 4.206 ( -1.971 0.000 0.010) 1.971 4.408 ( 5.108 0.000 -2.949) 5.898 4.408 ( 5.108 0.000 2.949) 5.898 4.511 ( -1.721 0.000 -0.025) 1.722 4.511 ( -1.721 0.000 0.025) 1.722 4.576 ( 0.127 0.000 -5.177) 5.178 4.576 ( 0.127 0.000 5.177) 5.178 4.946 ( 0.411 0.000 -0.152) 0.438 4.946 ( 0.411 0.000 0.152) 0.438 5.123 ( 3.194 0.000 -0.748) 3.280 5.123 ( 3.194 0.000 0.748) 3.280 5.262 ( -0.165 0.000 -0.189) 0.251 5.262 ( -0.165 0.000 0.189) 0.251 5.419 ( 4.333 0.000 -0.664) 4.383 5.419 ( 4.333 0.000 0.664) 4.383 5.620 ( 2.110 0.000 -2.025) 2.925 5.620 ( 2.110 0.000 2.025) 2.925 5.959 ( 0.835 0.000 -0.042) 0.836 5.959 ( 0.835 0.000 0.042) 0.836 6.288 ( -1.943 0.000 -2.212) 2.944 6.288 ( -1.943 0.000 2.212) 2.944 6.397 ( 2.948 0.000 -4.378) 5.278 6.397 ( 2.948 0.000 4.378) 5.278 6.524 ( -6.513 0.000 -5.646) 8.620 6.524 ( -6.513 0.000 5.646) 8.620 6.590 ( -0.068 0.000 -1.172) 1.174 6.590 ( -0.068 0.000 1.172) 1.174 6.843 ( -0.262 0.000 -2.028) 2.045 6.843 ( -0.262 0.000 2.028) 2.045 7.056 ( 1.959 0.000 -1.261) 2.330 7.056 ( 1.959 0.000 1.261) 2.330 7.198 ( -0.408 0.000 -0.000) 0.408 7.198 ( -0.408 0.000 0.000) 0.408 7.712 ( -3.972 0.000 -2.516) 4.702 7.712 ( -3.972 0.000 2.516) 4.702 7.963 ( -2.465 0.000 -3.784) 4.516 7.963 ( -2.465 0.000 3.784) 4.516 9.327 ( 1.329 0.000 -0.111) 1.334 9.327 ( 1.329 0.000 0.111) 1.334 9.430 ( 0.732 0.000 -0.771) 1.063 9.430 ( 0.732 0.000 0.771) 1.063 10.144 ( -0.437 0.000 -2.912) 2.945 10.144 ( -0.437 0.000 2.912) 2.945 10.164 ( -1.017 0.000 -4.111) 4.235 10.164 ( -1.017 0.000 4.111) 4.235 10.494 ( -0.019 0.000 -0.838) 0.838 10.494 ( -0.019 0.000 0.838) 0.838 10.564 ( -0.782 0.000 -0.572) 0.968 10.564 ( -0.782 0.000 0.572) 0.968 11.975 ( 3.084 0.000 -0.350) 3.104 11.975 ( 3.084 0.000 0.350) 3.104 12.079 ( 4.214 0.000 -1.198) 4.381 12.079 ( 4.214 0.000 1.198) 4.381 12.654 ( -0.122 0.000 -3.439) 3.441 12.654 ( -0.122 0.000 3.439) 3.441 12.938 ( 4.834 0.000 -4.162) 6.379 12.938 ( 4.834 0.000 4.162) 6.379 14.143 ( -0.468 0.000 -1.117) 1.211 14.143 ( -0.468 0.000 1.117) 1.211 14.224 ( -8.017 0.000 -1.775) 8.211 14.224 ( -8.017 0.000 1.775) 8.211 15.063 ( -0.164 0.000 -1.733) 1.741 15.063 ( -0.164 0.000 1.733) 1.741 15.103 ( -4.087 0.000 -2.881) 5.000 15.103 ( -4.087 0.000 2.881) 5.000 15.688 ( 2.079 0.000 -0.085) 2.081 15.688 ( 2.079 0.000 0.085) 2.081 15.836 ( 0.690 0.000 -0.067) 0.694 15.836 ( 0.690 0.000 0.067) 0.694 16.296 ( -0.646 0.000 -0.012) 0.646 16.296 ( -0.646 0.000 0.012) 0.646 16.436 ( 4.984 0.000 -2.939) 5.786 16.436 ( 4.984 0.000 2.939) 5.786 16.626 ( -2.139 0.000 -3.332) 3.959 16.626 ( -2.139 0.000 3.332) 3.959 17.149 ( 1.050 0.000 -0.082) 1.054 17.149 ( 1.050 0.000 0.082) 1.054 17.585 ( 1.276 0.000 -0.791) 1.501 17.585 ( 1.276 0.000 0.791) 1.501 17.625 ( -1.666 0.000 -2.566) 3.060 17.625 ( -1.666 0.000 2.566) 3.060 ======================= Grid point 110 (40/45) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 -12.481 -2.917) 12.818 0.838 ( 0.000 -12.481 2.917) 12.818 1.231 ( 0.000 3.372 -0.000) 3.372 1.231 ( 0.000 3.372 0.000) 3.372 1.369 ( 0.000 7.304 -5.246) 8.992 1.369 ( 0.000 7.304 5.246) 8.992 1.807 ( 0.000 -2.240 -5.575) 6.008 1.807 ( 0.000 -2.240 5.575) 6.008 1.905 ( 0.000 -0.098 -3.553) 3.555 1.905 ( 0.000 -0.098 3.553) 3.555 1.941 ( 0.000 2.040 -1.758) 2.693 1.941 ( 0.000 2.040 1.758) 2.693 2.016 ( 0.000 -1.195 -2.591) 2.853 2.016 ( 0.000 -1.195 2.591) 2.853 2.142 ( 0.000 -7.429 -5.335) 9.146 2.142 ( 0.000 -7.429 5.335) 9.146 2.484 ( 0.000 4.363 -2.978) 5.283 2.484 ( 0.000 4.363 2.978) 5.283 2.701 ( 0.000 -2.185 -3.168) 3.848 2.701 ( 0.000 -2.185 3.168) 3.848 2.867 ( 0.000 0.488 -8.162) 8.176 2.867 ( 0.000 0.488 8.162) 8.176 3.029 ( 0.000 1.663 -0.444) 1.721 3.029 ( 0.000 1.663 0.444) 1.721 3.066 ( 0.000 3.551 -2.009) 4.080 3.066 ( 0.000 3.551 2.009) 4.080 3.272 ( 0.000 -1.702 -0.589) 1.801 3.272 ( 0.000 -1.702 0.589) 1.801 3.340 ( 0.000 0.440 -1.933) 1.982 3.340 ( 0.000 0.440 1.933) 1.982 3.427 ( 0.000 -4.016 -9.217) 10.054 3.427 ( 0.000 -4.016 9.217) 10.054 3.604 ( 0.000 1.813 -2.148) 2.811 3.604 ( 0.000 1.813 2.148) 2.811 3.680 ( 0.000 -1.488 -0.343) 1.527 3.680 ( 0.000 -1.488 0.343) 1.527 4.018 ( 0.000 1.894 -1.171) 2.227 4.018 ( 0.000 1.894 1.171) 2.227 4.094 ( 0.000 1.162 -1.528) 1.919 4.094 ( 0.000 1.162 1.528) 1.919 4.319 ( 0.000 1.006 -3.326) 3.475 4.319 ( 0.000 1.006 3.326) 3.475 4.462 ( 0.000 -2.270 -0.269) 2.286 4.462 ( 0.000 -2.270 0.269) 2.286 4.603 ( 0.000 1.921 -1.235) 2.284 4.603 ( 0.000 1.921 1.235) 2.284 4.833 ( 0.000 -3.785 -1.756) 4.173 4.833 ( 0.000 -3.785 1.756) 4.173 5.119 ( 0.000 3.155 -1.553) 3.516 5.119 ( 0.000 3.155 1.553) 3.516 5.188 ( 0.000 -2.329 -4.572) 5.131 5.188 ( 0.000 -2.329 4.572) 5.131 5.296 ( 0.000 -0.684 -4.322) 4.376 5.296 ( 0.000 -0.684 4.322) 4.376 5.577 ( 0.000 -2.666 -2.040) 3.357 5.577 ( 0.000 -2.666 2.040) 3.357 5.942 ( 0.000 4.197 -0.312) 4.209 5.942 ( 0.000 4.197 0.312) 4.209 6.272 ( 0.000 0.484 -2.407) 2.455 6.272 ( 0.000 0.484 2.407) 2.455 6.379 ( 0.000 2.933 -0.735) 3.024 6.379 ( 0.000 2.933 0.735) 3.024 6.612 ( 0.000 -2.199 -0.778) 2.332 6.612 ( 0.000 -2.199 0.778) 2.332 6.723 ( 0.000 -2.012 -4.163) 4.624 6.723 ( 0.000 -2.012 4.163) 4.624 6.784 ( 0.000 -2.642 -4.492) 5.211 6.784 ( 0.000 -2.642 4.492) 5.211 7.056 ( 0.000 3.562 -3.922) 5.298 7.056 ( 0.000 3.562 3.922) 5.298 7.206 ( 0.000 -0.943 -2.843) 2.995 7.206 ( 0.000 -0.943 2.843) 2.995 7.845 ( 0.000 -4.366 -7.115) 8.348 7.845 ( 0.000 -4.366 7.115) 8.348 8.093 ( 0.000 2.938 -3.678) 4.708 8.093 ( 0.000 2.938 3.678) 4.708 9.282 ( 0.000 1.445 -2.879) 3.221 9.282 ( 0.000 1.445 2.879) 3.221 9.383 ( 0.000 -0.742 -4.452) 4.513 9.383 ( 0.000 -0.742 4.452) 4.513 10.166 ( 0.000 -0.779 -1.378) 1.583 10.166 ( 0.000 -0.779 1.378) 1.583 10.209 ( 0.000 0.898 -0.985) 1.333 10.209 ( 0.000 0.898 0.985) 1.333 10.517 ( 0.000 0.895 -4.616) 4.702 10.517 ( 0.000 0.895 4.616) 4.702 10.617 ( 0.000 -1.139 -5.104) 5.230 10.617 ( 0.000 -1.139 5.104) 5.230 11.823 ( 0.000 -0.054 -0.992) 0.994 11.823 ( 0.000 -0.054 0.992) 0.994 11.833 ( 0.000 0.342 -0.962) 1.021 11.833 ( 0.000 0.342 0.962) 1.021 12.699 ( 0.000 0.583 -9.561) 9.578 12.699 ( 0.000 0.583 9.561) 9.578 12.735 ( 0.000 -0.021 -5.859) 5.859 12.735 ( 0.000 -0.021 5.859) 5.859 14.191 ( 0.000 1.979 -2.404) 3.114 14.191 ( 0.000 1.979 2.404) 3.114 14.533 ( 0.000 -5.655 -3.460) 6.630 14.533 ( 0.000 -5.655 3.460) 6.630 15.114 ( 0.000 1.295 -10.204) 10.286 15.114 ( 0.000 1.295 10.204) 10.286 15.260 ( 0.000 -2.349 -8.258) 8.585 15.260 ( 0.000 -2.349 8.258) 8.585 15.587 ( 0.000 -0.055 -2.464) 2.465 15.587 ( 0.000 -0.055 2.464) 2.465 15.749 ( 0.000 -0.285 -1.010) 1.049 15.749 ( 0.000 -0.285 1.010) 1.049 16.220 ( 0.000 0.858 -2.359) 2.510 16.220 ( 0.000 0.858 2.359) 2.510 16.337 ( 0.000 -3.779 -4.633) 5.978 16.337 ( 0.000 -3.779 4.633) 5.978 16.662 ( 0.000 1.770 -8.726) 8.904 16.662 ( 0.000 1.770 8.726) 8.904 17.161 ( 0.000 3.731 -1.443) 4.000 17.161 ( 0.000 3.731 1.443) 4.000 17.579 ( 0.000 1.454 -4.516) 4.745 17.579 ( 0.000 1.454 4.516) 4.745 17.666 ( 0.000 -0.131 -5.467) 5.469 17.666 ( 0.000 -0.131 5.467) 5.469 ======================= Grid point 112 (41/45) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 1.999 -10.713 -0.000) 10.897 0.865 ( 3.803 -9.608 0.000) 10.333 1.127 ( -5.146 3.063 0.000) 5.989 1.298 ( -5.790 6.716 0.000) 8.867 1.390 ( 6.508 0.675 0.000) 6.543 1.445 ( 4.783 2.680 0.000) 5.482 1.608 ( -7.877 1.041 0.000) 7.945 1.674 ( -10.601 3.347 -0.000) 11.117 1.715 ( -8.219 0.302 -0.000) 8.225 1.725 ( -7.213 1.966 0.000) 7.476 1.919 ( -5.134 -6.533 0.000) 8.309 1.996 ( 1.683 -6.081 0.000) 6.310 2.081 ( 1.205 1.168 0.000) 1.678 2.166 ( 7.340 1.474 0.000) 7.486 2.312 ( 11.228 -1.161 0.000) 11.288 2.362 ( -2.246 0.530 0.000) 2.308 2.434 ( 14.282 -2.648 0.000) 14.526 2.470 ( -11.851 -2.701 0.000) 12.155 2.620 ( -15.879 -0.558 0.000) 15.888 2.660 ( 0.842 2.458 -0.000) 2.598 2.741 ( -14.492 -1.535 0.000) 14.573 2.771 ( 1.113 2.843 0.000) 3.053 2.824 ( -0.795 1.575 0.000) 1.764 2.932 ( -6.070 -1.863 0.000) 6.349 3.061 ( -3.304 6.915 0.000) 7.664 3.084 ( -0.444 3.107 0.000) 3.139 3.258 ( 0.919 -2.157 0.000) 2.344 3.278 ( -2.394 -0.457 -0.000) 2.437 3.350 ( 2.021 -1.450 0.000) 2.487 3.374 ( -0.558 -0.916 0.000) 1.073 3.409 ( -0.638 -4.445 0.000) 4.490 3.470 ( -0.375 -3.565 0.000) 3.585 3.595 ( 3.192 1.705 0.000) 3.619 3.631 ( -1.392 0.182 0.000) 1.404 3.673 ( 2.054 2.242 0.000) 3.041 3.748 ( 1.947 0.830 0.000) 2.116 4.000 ( -3.357 1.294 -0.000) 3.598 4.004 ( 3.173 1.099 0.000) 3.358 4.169 ( 4.824 -0.363 0.000) 4.838 4.188 ( -8.184 -1.106 -0.000) 8.259 4.262 ( 13.602 0.695 0.000) 13.619 4.378 ( 1.245 1.227 0.000) 1.748 4.468 ( 3.690 -3.442 0.000) 5.046 4.531 ( 0.275 -2.040 -0.000) 2.059 4.598 ( -2.222 2.715 0.000) 3.508 4.633 ( 3.466 5.698 0.000) 6.669 4.812 ( 1.468 -5.860 0.000) 6.041 4.991 ( 4.255 1.658 0.000) 4.566 5.014 ( -1.313 -0.150 0.000) 1.322 5.091 ( 5.395 -3.810 0.000) 6.605 5.186 ( -0.350 1.353 0.000) 1.398 5.197 ( 0.666 -1.525 0.000) 1.664 5.322 ( 3.328 -0.537 0.000) 3.371 5.431 ( 5.645 1.791 0.000) 5.923 5.519 ( 0.023 -1.986 0.000) 1.986 5.637 ( 1.897 -1.182 0.000) 2.235 5.893 ( -2.064 2.338 0.000) 3.119 6.011 ( 3.032 2.526 0.000) 3.947 6.261 ( -1.379 -1.176 0.000) 1.812 6.298 ( 2.324 1.094 0.000) 2.569 6.390 ( 2.095 3.121 0.000) 3.759 6.399 ( 0.826 2.902 0.000) 3.018 6.576 ( -1.517 -1.875 0.000) 2.412 6.591 ( -7.586 -4.954 0.000) 9.060 6.629 ( -1.719 1.235 -0.000) 2.117 6.713 ( -4.268 0.164 0.000) 4.271 6.788 ( 0.616 -2.720 0.000) 2.789 6.821 ( 2.697 -2.899 -0.000) 3.960 7.017 ( -2.070 1.990 0.000) 2.871 7.088 ( 1.892 3.670 0.000) 4.129 7.174 ( -1.982 -1.693 0.000) 2.607 7.226 ( 1.497 0.533 0.000) 1.589 7.732 ( -7.627 -3.660 0.000) 8.460 7.854 ( -2.125 -4.132 0.000) 4.646 7.990 ( -7.031 2.920 0.000) 7.613 8.094 ( -2.593 2.007 0.000) 3.279 9.297 ( 1.647 1.017 0.000) 1.935 9.313 ( 2.544 1.654 -0.000) 3.034 9.390 ( 0.956 -0.973 0.000) 1.364 9.409 ( 2.066 -0.279 0.000) 2.085 10.150 ( -0.924 -0.425 -0.000) 1.017 10.165 ( -0.657 -0.883 -0.000) 1.100 10.181 ( -1.862 0.849 0.000) 2.047 10.204 ( -1.315 0.539 0.000) 1.421 10.508 ( -0.743 0.767 -0.000) 1.068 10.509 ( -0.516 0.822 0.000) 0.971 10.586 ( -2.397 -0.846 0.000) 2.542 10.587 ( -2.116 -0.792 -0.000) 2.259 11.852 ( 3.673 -1.147 0.000) 3.848 11.883 ( 6.686 -2.003 0.000) 6.979 11.932 ( 7.339 1.970 0.000) 7.599 11.979 ( 11.060 1.407 0.000) 11.149 12.667 ( -1.456 0.489 -0.000) 1.536 12.684 ( -0.392 1.314 0.000) 1.371 12.775 ( 3.786 -1.729 -0.000) 4.162 12.831 ( 7.058 -0.182 0.000) 7.060 14.167 ( -1.748 1.149 0.000) 2.092 14.181 ( -1.269 1.697 0.000) 2.119 14.392 ( -11.060 -4.066 0.000) 11.783 14.428 ( -11.113 -3.292 0.000) 11.591 15.080 ( -1.955 0.304 -0.000) 1.979 15.101 ( -1.966 1.020 0.000) 2.215 15.178 ( -5.927 -1.911 0.000) 6.227 15.207 ( -5.473 -1.155 -0.000) 5.594 15.613 ( 3.207 -0.092 0.000) 3.209 15.657 ( 4.961 1.056 0.000) 5.073 15.734 ( 2.040 -2.138 0.000) 2.955 15.838 ( 3.210 0.100 0.000) 3.211 16.265 ( 4.834 -0.600 -0.000) 4.871 16.271 ( -2.504 -4.721 0.000) 5.344 16.289 ( 4.172 1.344 0.000) 4.383 16.375 ( 2.067 -0.919 0.000) 2.262 16.592 ( -3.773 0.218 0.000) 3.779 16.741 ( 4.101 -1.983 0.000) 4.555 17.044 ( -5.426 5.009 0.000) 7.384 17.289 ( 6.276 5.139 0.000) 8.111 17.581 ( 0.397 1.156 0.000) 1.222 17.583 ( 0.302 1.411 -0.000) 1.443 17.648 ( -1.438 -0.276 -0.000) 1.464 17.660 ( -1.006 0.098 0.000) 1.011 ======================= Grid point 114 (42/45) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.209 -6.584 -0.000) 6.695 0.964 ( 4.865 -4.904 0.000) 6.908 1.025 ( -3.597 -0.089 0.000) 3.599 1.143 ( -7.313 1.272 0.000) 7.423 1.464 ( 2.932 1.271 0.000) 3.196 1.484 ( -1.450 2.978 -0.000) 3.313 1.504 ( -1.985 0.750 0.000) 2.122 1.601 ( 3.616 -1.105 0.000) 3.781 1.685 ( 3.593 5.498 0.000) 6.568 1.767 ( 2.484 4.079 0.000) 4.776 1.852 ( 1.282 -1.687 0.000) 2.118 1.913 ( -8.247 -7.394 0.000) 11.077 1.957 ( -9.726 3.201 0.000) 10.239 2.093 ( -10.783 -2.189 0.000) 11.003 2.178 ( -9.660 -1.259 0.000) 9.742 2.289 ( -4.097 -3.950 0.000) 5.691 2.498 ( 2.594 -0.984 0.000) 2.775 2.505 ( 4.250 0.041 -0.000) 4.250 2.584 ( -0.006 -3.692 -0.000) 3.692 2.642 ( 0.792 -2.091 0.000) 2.236 2.741 ( 5.211 1.284 0.000) 5.367 2.774 ( 2.490 6.526 0.000) 6.986 2.882 ( 5.066 3.786 0.000) 6.325 2.905 ( 3.154 0.057 -0.000) 3.154 2.985 ( -4.563 4.085 0.000) 6.124 3.016 ( -7.410 4.025 0.000) 8.432 3.273 ( 1.860 -4.841 0.000) 5.186 3.293 ( 0.328 -5.572 0.000) 5.582 3.331 ( -0.769 -2.907 -0.000) 3.006 3.377 ( 0.608 -1.409 0.000) 1.534 3.418 ( 0.765 -1.250 0.000) 1.465 3.420 ( -2.656 -4.496 -0.000) 5.222 3.614 ( 0.329 2.652 0.000) 2.672 3.650 ( 1.966 3.239 0.000) 3.789 3.670 ( -2.038 2.700 0.000) 3.383 3.750 ( -1.115 3.963 0.000) 4.117 3.958 ( -1.019 -0.657 0.000) 1.212 4.052 ( -4.749 -4.412 -0.000) 6.482 4.071 ( 2.287 3.710 0.000) 4.358 4.281 ( 5.283 -5.992 0.000) 7.989 4.370 ( 0.618 4.651 0.000) 4.692 4.407 ( 1.402 -3.187 0.000) 3.482 4.488 ( -5.012 -5.510 0.000) 7.448 4.536 ( 1.350 3.813 0.000) 4.045 4.586 ( 1.986 -0.280 -0.000) 2.006 4.640 ( -0.855 7.936 0.000) 7.982 4.815 ( -0.763 -5.415 0.000) 5.469 5.014 ( 2.305 1.326 0.000) 2.659 5.113 ( 7.879 0.043 0.000) 7.880 5.159 ( -0.979 -0.770 0.000) 1.246 5.213 ( -1.644 -1.460 0.000) 2.198 5.292 ( 5.689 -0.454 0.000) 5.707 5.393 ( 4.379 2.477 0.000) 5.031 5.485 ( 2.938 2.658 0.000) 3.962 5.590 ( 3.627 -1.133 0.000) 3.800 5.654 ( 0.552 -0.026 0.000) 0.552 5.851 ( -1.929 -1.699 0.000) 2.571 6.062 ( 2.884 2.452 0.000) 3.785 6.218 ( -2.411 -2.962 0.000) 3.820 6.279 ( -6.037 -4.088 0.000) 7.291 6.414 ( 1.541 2.175 0.000) 2.665 6.424 ( 0.693 1.404 -0.000) 1.566 6.454 ( -3.669 -0.417 0.000) 3.693 6.562 ( -1.087 -1.258 0.000) 1.662 6.621 ( 0.159 2.031 0.000) 2.037 6.637 ( -1.160 4.380 -0.000) 4.531 6.802 ( 0.623 -2.134 0.000) 2.223 6.842 ( -0.395 -1.510 0.000) 1.561 7.009 ( 0.919 -1.163 0.000) 1.482 7.118 ( 1.188 0.277 0.000) 1.220 7.146 ( -1.032 0.332 0.000) 1.084 7.256 ( 1.044 2.254 0.000) 2.484 7.602 ( -4.613 -3.694 0.000) 5.910 7.812 ( -0.653 -2.794 0.000) 2.869 7.862 ( -5.443 1.765 0.000) 5.723 8.033 ( -2.505 1.459 0.000) 2.899 9.326 ( 0.987 0.568 0.000) 1.139 9.358 ( 1.700 1.902 0.000) 2.550 9.405 ( 0.326 -1.211 0.000) 1.254 9.444 ( 1.167 0.247 0.000) 1.193 10.140 ( -0.127 -0.167 0.000) 0.210 10.150 ( -0.600 -0.502 -0.000) 0.782 10.152 ( -0.924 0.315 0.000) 0.976 10.173 ( -1.370 0.173 0.000) 1.381 10.497 ( -0.296 0.485 0.000) 0.568 10.506 ( 0.171 0.878 0.000) 0.895 10.553 ( -0.916 -0.721 0.000) 1.166 10.563 ( -0.459 -0.325 0.000) 0.562 11.921 ( 2.471 -1.735 0.000) 3.019 11.994 ( 3.579 -3.598 0.000) 5.075 12.050 ( 3.868 3.580 0.000) 5.271 12.145 ( 4.843 2.122 0.000) 5.287 12.647 ( -0.600 0.333 -0.000) 0.686 12.695 ( 0.907 2.669 0.000) 2.819 12.841 ( 2.434 -4.911 0.000) 5.481 12.963 ( 5.036 -1.238 0.000) 5.186 14.141 ( -0.739 0.246 0.000) 0.779 14.158 ( -0.777 0.853 0.000) 1.154 14.208 ( -6.137 -1.010 0.000) 6.220 14.222 ( -7.494 -0.520 0.000) 7.512 15.059 ( 0.055 -0.232 0.000) 0.238 15.064 ( -1.110 0.012 0.000) 1.110 15.083 ( -3.242 -0.833 0.000) 3.348 15.107 ( -4.040 -0.353 -0.000) 4.055 15.670 ( 1.989 -0.206 0.000) 2.000 15.734 ( 2.454 2.539 0.000) 3.531 15.775 ( 1.420 -3.017 0.000) 3.334 15.861 ( 0.002 -0.012 0.000) 0.012 16.217 ( -1.712 -4.586 0.000) 4.896 16.334 ( 1.572 1.761 0.000) 2.361 16.399 ( 5.989 -0.301 0.000) 5.996 16.430 ( 2.733 -1.271 0.000) 3.014 16.509 ( -4.968 -0.929 0.000) 5.054 16.801 ( 1.819 -12.610 0.000) 12.741 16.966 ( -2.402 12.982 0.000) 13.202 17.379 ( 2.740 6.449 0.000) 7.007 17.593 ( 0.862 0.734 0.000) 1.132 17.596 ( 1.131 0.814 -0.000) 1.394 17.618 ( -1.631 -0.157 -0.000) 1.638 17.633 ( -1.532 0.316 0.000) 1.564 ======================= Grid point 120 (43/45) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 -7.827 -1.071) 7.900 0.591 ( 0.000 -7.827 1.071) 7.900 1.293 ( 0.000 1.535 -0.861) 1.760 1.293 ( 0.000 1.535 0.861) 1.760 1.532 ( 0.000 7.130 -5.597) 9.064 1.532 ( 0.000 7.130 5.597) 9.064 1.751 ( 0.000 -3.724 -4.896) 6.152 1.751 ( 0.000 -3.724 4.896) 6.152 1.860 ( 0.000 -2.872 -1.640) 3.307 1.860 ( 0.000 -2.872 1.640) 3.307 1.962 ( 0.000 0.237 -3.016) 3.025 1.962 ( 0.000 0.237 3.016) 3.026 2.008 ( 0.000 0.655 -0.081) 0.660 2.008 ( 0.000 0.655 0.081) 0.660 2.038 ( 0.000 -2.027 -1.490) 2.516 2.038 ( 0.000 -2.027 1.490) 2.516 2.538 ( 0.000 0.809 -1.938) 2.100 2.538 ( 0.000 0.809 1.938) 2.100 2.673 ( 0.000 -0.358 -3.096) 3.117 2.673 ( 0.000 -0.358 3.096) 3.117 2.884 ( 0.000 0.770 -2.588) 2.700 2.884 ( 0.000 0.770 2.588) 2.700 3.024 ( 0.000 -0.571 -2.603) 2.665 3.024 ( 0.000 -0.571 2.603) 2.665 3.167 ( 0.000 3.470 -4.265) 5.498 3.167 ( 0.000 3.470 4.265) 5.498 3.238 ( 0.000 -1.213 -0.848) 1.480 3.238 ( 0.000 -1.213 0.848) 1.480 3.339 ( 0.000 -0.433 -0.970) 1.063 3.339 ( 0.000 -0.433 0.970) 1.063 3.375 ( 0.000 -0.809 -4.126) 4.204 3.375 ( 0.000 -0.809 4.126) 4.204 3.621 ( 0.000 0.086 -0.704) 0.709 3.621 ( 0.000 0.086 0.704) 0.709 3.639 ( 0.000 -1.461 -0.807) 1.669 3.639 ( 0.000 -1.461 0.807) 1.669 4.072 ( 0.000 1.900 -4.531) 4.914 4.072 ( 0.000 1.900 4.531) 4.914 4.108 ( 0.000 0.418 -5.817) 5.832 4.108 ( 0.000 0.418 5.817) 5.832 4.322 ( 0.000 -0.882 -4.178) 4.270 4.322 ( 0.000 -0.882 4.178) 4.271 4.473 ( 0.000 3.318 -0.066) 3.318 4.473 ( 0.000 3.318 0.066) 3.318 4.592 ( 0.000 -3.097 -0.668) 3.168 4.592 ( 0.000 -3.097 0.668) 3.168 4.765 ( 0.000 -1.460 -1.392) 2.018 4.765 ( 0.000 -1.460 1.393) 2.018 5.147 ( 0.000 -1.097 -1.349) 1.739 5.147 ( 0.000 -1.097 1.349) 1.739 5.192 ( 0.000 3.093 -1.273) 3.344 5.192 ( 0.000 3.093 1.273) 3.344 5.268 ( 0.000 -1.816 -2.434) 3.037 5.268 ( 0.000 -1.816 2.434) 3.037 5.533 ( 0.000 -1.137 -0.757) 1.366 5.533 ( 0.000 -1.137 0.757) 1.366 6.006 ( 0.000 1.386 -0.001) 1.386 6.006 ( 0.000 1.386 0.001) 1.386 6.311 ( 0.000 2.264 -1.049) 2.496 6.311 ( 0.000 2.264 1.049) 2.496 6.444 ( 0.000 3.026 -3.147) 4.366 6.444 ( 0.000 3.026 3.147) 4.366 6.529 ( 0.000 -4.589 -4.091) 6.148 6.529 ( 0.000 -4.589 4.091) 6.148 6.703 ( 0.000 0.275 -0.038) 0.277 6.703 ( 0.000 0.275 0.038) 0.277 6.732 ( 0.000 -1.993 -1.175) 2.313 6.732 ( 0.000 -1.993 1.175) 2.313 7.125 ( 0.000 2.390 -3.448) 4.196 7.125 ( 0.000 2.390 3.448) 4.196 7.180 ( 0.000 -1.313 -2.947) 3.227 7.180 ( 0.000 -1.313 2.947) 3.227 7.772 ( 0.000 -1.929 -1.826) 2.656 7.772 ( 0.000 -1.929 1.826) 2.656 8.138 ( 0.000 1.045 -0.654) 1.233 8.138 ( 0.000 1.045 0.654) 1.233 9.318 ( 0.000 1.598 -3.189) 3.567 9.318 ( 0.000 1.598 3.189) 3.567 9.361 ( 0.000 -1.182 -3.715) 3.898 9.361 ( 0.000 -1.182 3.715) 3.898 10.155 ( 0.000 -0.281 -0.403) 0.492 10.155 ( 0.000 -0.281 0.403) 0.492 10.224 ( 0.000 0.351 -0.265) 0.439 10.224 ( 0.000 0.351 0.265) 0.439 10.543 ( 0.000 1.388 -4.238) 4.460 10.543 ( 0.000 1.388 4.238) 4.460 10.586 ( 0.000 -1.530 -4.385) 4.645 10.586 ( 0.000 -1.530 4.385) 4.645 11.822 ( 0.000 -0.003 -0.155) 0.155 11.822 ( 0.000 -0.003 0.155) 0.155 11.839 ( 0.000 0.178 -0.161) 0.240 11.839 ( 0.000 0.178 0.161) 0.240 12.715 ( 0.000 0.802 -7.817) 7.858 12.715 ( 0.000 0.802 7.817) 7.858 12.730 ( 0.000 -0.457 -6.306) 6.322 12.730 ( 0.000 -0.457 6.306) 6.322 14.261 ( 0.000 4.543 -1.487) 4.780 14.261 ( 0.000 4.543 1.487) 4.780 14.389 ( 0.000 -6.784 -0.382) 6.795 14.389 ( 0.000 -6.784 0.382) 6.795 15.150 ( 0.000 1.879 -9.604) 9.786 15.150 ( 0.000 1.879 9.604) 9.786 15.205 ( 0.000 -2.352 -9.116) 9.415 15.205 ( 0.000 -2.352 9.116) 9.415 15.603 ( 0.000 1.225 -1.392) 1.854 15.603 ( 0.000 1.225 1.392) 1.854 15.714 ( 0.000 -2.057 -0.906) 2.247 15.714 ( 0.000 -2.057 0.906) 2.247 16.243 ( 0.000 0.983 -1.362) 1.680 16.243 ( 0.000 0.983 1.362) 1.680 16.283 ( 0.000 -1.249 -2.183) 2.515 16.283 ( 0.000 -1.249 2.183) 2.515 16.683 ( 0.000 0.355 -3.590) 3.608 16.683 ( 0.000 0.355 3.590) 3.608 17.230 ( 0.000 1.919 -0.981) 2.156 17.230 ( 0.000 1.919 0.981) 2.156 17.611 ( 0.000 1.095 -2.771) 2.980 17.611 ( 0.000 1.095 2.771) 2.980 17.662 ( 0.000 -0.271 -3.118) 3.129 17.662 ( 0.000 -0.271 3.118) 3.129 ======================= Grid point 122 (44/45) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 7.062 -5.599 -0.000) 9.012 0.670 ( 8.142 -6.363 0.000) 10.334 1.199 ( -7.741 3.531 0.000) 8.508 1.279 ( -7.331 -3.706 0.000) 8.215 1.533 ( -0.025 5.009 0.000) 5.009 1.539 ( 1.536 7.216 -0.000) 7.377 1.650 ( -7.644 2.861 0.000) 8.162 1.707 ( -7.592 -0.561 0.000) 7.613 1.727 ( -3.791 -0.122 0.000) 3.793 1.763 ( -2.569 -5.898 0.000) 6.433 1.773 ( -3.774 1.184 0.000) 3.955 1.841 ( -2.088 -6.619 0.000) 6.941 2.121 ( 6.951 2.318 0.000) 7.328 2.167 ( 8.310 -1.409 0.000) 8.428 2.309 ( 10.496 1.099 0.000) 10.553 2.347 ( 5.342 -1.879 0.000) 5.663 2.405 ( 0.165 0.040 0.000) 0.170 2.423 ( -9.683 -1.502 -0.000) 9.799 2.606 ( -14.138 0.108 -0.000) 14.138 2.631 ( -11.887 -2.002 0.000) 12.055 2.784 ( -6.290 1.790 0.000) 6.540 2.808 ( -0.179 -0.357 0.000) 0.399 2.876 ( 1.663 3.171 0.000) 3.581 2.913 ( -3.004 0.003 0.000) 3.004 3.126 ( -1.971 0.861 0.000) 2.151 3.154 ( -2.658 -0.957 0.000) 2.825 3.232 ( -2.465 2.622 0.000) 3.599 3.276 ( -2.058 -0.252 0.000) 2.073 3.327 ( -0.801 -0.324 0.000) 0.864 3.335 ( -2.573 -1.086 -0.000) 2.793 3.375 ( 0.629 -0.281 -0.000) 0.689 3.398 ( -1.800 -2.687 0.000) 3.234 3.624 ( 6.064 0.886 0.000) 6.128 3.630 ( 5.247 0.134 0.000) 5.248 3.708 ( 1.115 0.823 0.000) 1.385 3.732 ( 2.098 -1.501 0.000) 2.579 4.009 ( -3.686 -0.275 -0.000) 3.697 4.012 ( 0.680 -0.363 0.000) 0.771 4.205 ( 2.478 3.416 0.000) 4.220 4.240 ( -6.104 5.098 0.000) 7.952 4.274 ( 5.074 -0.353 0.000) 5.086 4.369 ( 0.783 -2.698 0.000) 2.809 4.405 ( 7.116 -1.479 0.000) 7.268 4.435 ( -0.435 -4.999 -0.000) 5.017 4.660 ( -1.111 2.760 0.000) 2.976 4.717 ( 2.835 -2.540 0.000) 3.807 4.783 ( 7.987 6.947 0.000) 10.586 4.939 ( 13.682 -6.770 0.000) 15.266 5.039 ( -4.294 1.812 -0.000) 4.660 5.048 ( -4.257 0.970 0.000) 4.366 5.153 ( 0.583 -1.783 0.000) 1.876 5.161 ( -2.136 -2.371 0.000) 3.191 5.373 ( 7.622 3.574 0.000) 8.419 5.434 ( 8.595 -1.659 0.000) 8.754 5.519 ( 0.030 1.774 0.000) 1.775 5.576 ( 2.113 -3.217 0.000) 3.849 5.974 ( -2.381 3.542 0.000) 4.267 6.024 ( 0.512 -1.053 0.000) 1.171 6.270 ( -3.998 2.148 0.000) 4.538 6.321 ( -1.845 -0.771 0.000) 1.999 6.452 ( 0.350 2.441 0.000) 2.466 6.457 ( 1.132 2.669 -0.000) 2.899 6.504 ( -2.512 -2.385 0.000) 3.464 6.520 ( -0.125 -3.226 -0.000) 3.229 6.666 ( -0.673 2.131 0.000) 2.235 6.702 ( -1.819 -0.906 0.000) 2.032 6.738 ( 0.729 -1.390 0.000) 1.569 6.752 ( 2.570 -2.725 -0.000) 3.746 7.067 ( -3.841 2.325 0.000) 4.490 7.115 ( -3.102 -1.830 0.000) 3.601 7.179 ( 2.141 2.648 0.000) 3.405 7.223 ( 2.849 -1.045 0.000) 3.035 7.693 ( -6.157 0.380 0.000) 6.169 7.748 ( -3.496 -4.301 0.000) 5.543 8.064 ( -5.832 2.960 0.000) 6.541 8.106 ( -3.981 -0.798 0.000) 4.060 9.326 ( 1.122 1.415 0.000) 1.806 9.345 ( 1.834 0.471 0.000) 1.894 9.373 ( 1.735 0.037 -0.000) 1.736 9.394 ( 2.575 -1.080 0.000) 2.792 10.145 ( -0.651 -0.023 -0.000) 0.651 10.150 ( -0.582 -0.468 -0.000) 0.746 10.199 ( -2.030 0.690 0.000) 2.144 10.209 ( -1.790 -0.153 0.000) 1.797 10.530 ( -1.049 1.199 -0.000) 1.593 10.532 ( -0.674 1.205 0.000) 1.381 10.562 ( -1.923 -1.216 0.000) 2.275 10.564 ( -1.518 -1.214 -0.000) 1.944 11.838 ( 3.354 -0.124 0.000) 3.357 11.848 ( 4.451 -1.076 0.000) 4.579 11.972 ( 9.564 1.545 0.000) 9.688 11.992 ( 11.097 -0.216 0.000) 11.099 12.684 ( -1.131 1.028 -0.000) 1.528 12.703 ( 0.046 -0.286 0.000) 0.290 12.762 ( 2.412 1.191 0.000) 2.690 12.805 ( 4.950 -2.018 0.000) 5.346 14.212 ( -3.671 2.943 0.000) 4.705 14.235 ( -3.126 3.294 0.000) 4.542 14.296 ( -6.923 -4.243 0.000) 8.120 14.331 ( -6.653 -4.871 0.000) 8.246 15.097 ( -3.342 1.218 0.000) 3.557 15.122 ( -3.590 0.059 0.000) 3.590 15.143 ( -4.069 -0.316 0.000) 4.081 15.172 ( -4.058 -1.824 -0.000) 4.449 15.626 ( 2.905 1.225 -0.000) 3.153 15.659 ( 3.678 -1.309 0.000) 3.904 15.728 ( 3.535 2.147 0.000) 4.135 15.798 ( 4.170 -3.331 0.000) 5.337 16.218 ( -2.262 -0.164 -0.000) 2.268 16.240 ( 2.165 -1.548 0.000) 2.662 16.325 ( 4.632 1.642 0.000) 4.915 16.354 ( 3.895 -1.054 0.000) 4.035 16.610 ( -5.247 1.287 -0.000) 5.402 16.656 ( -4.056 -3.291 0.000) 5.223 17.216 ( 1.344 7.583 0.000) 7.701 17.323 ( 5.555 -1.918 0.000) 5.877 17.607 ( -0.052 1.040 0.000) 1.041 17.613 ( 0.030 0.814 -0.000) 0.814 17.646 ( -1.221 0.204 -0.000) 1.238 17.657 ( -0.808 -0.440 0.000) 0.920 ======================= Grid point 124 (45/45) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.09e-04 3.09e-04 3.09e-04 3.09e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 4.497 -1.889 0.000) 4.877 0.839 ( 6.365 -5.192 0.000) 8.214 1.048 ( -4.745 2.285 0.000) 5.266 1.112 ( -5.800 -3.038 0.000) 6.548 1.512 ( -1.537 2.564 0.000) 2.989 1.550 ( 2.194 0.319 -0.000) 2.217 1.568 ( -2.029 4.193 0.000) 4.658 1.593 ( -1.492 2.100 -0.000) 2.576 1.760 ( -7.603 -5.397 0.000) 9.324 1.769 ( 0.984 -4.173 -0.000) 4.288 1.809 ( 9.099 4.538 0.000) 10.168 1.847 ( 9.378 1.002 0.000) 9.431 2.036 ( -12.094 4.028 0.000) 12.747 2.076 ( -16.269 1.633 -0.000) 16.350 2.134 ( -8.300 -3.425 0.000) 8.978 2.171 ( -8.172 -5.556 -0.000) 9.882 2.492 ( 3.617 0.864 -0.000) 3.719 2.504 ( 3.397 -0.106 0.000) 3.399 2.533 ( 0.628 -0.654 -0.000) 0.907 2.573 ( 2.928 -3.519 0.000) 4.577 2.786 ( 4.568 2.994 0.000) 5.461 2.860 ( 4.881 -3.111 0.000) 5.788 2.937 ( 3.759 6.227 0.000) 7.274 2.966 ( 4.829 3.221 0.000) 5.805 3.064 ( -5.814 1.737 0.000) 6.068 3.091 ( -2.620 0.540 0.000) 2.675 3.168 ( -5.443 -2.774 0.000) 6.109 3.179 ( -2.617 -3.124 0.000) 4.076 3.293 ( -1.144 -0.468 0.000) 1.236 3.323 ( -0.652 -2.920 0.000) 2.992 3.367 ( -0.687 -0.350 0.000) 0.771 3.387 ( 0.316 -1.652 0.000) 1.682 3.684 ( 0.797 3.691 0.000) 3.776 3.704 ( 0.990 1.248 -0.000) 1.593 3.708 ( -0.636 0.689 0.000) 0.938 3.759 ( 1.754 -2.531 0.000) 3.079 3.983 ( 1.675 3.263 0.000) 3.668 4.082 ( -7.653 6.550 -0.000) 10.073 4.091 ( 6.779 -4.680 0.000) 8.238 4.210 ( -3.318 0.950 0.000) 3.451 4.282 ( -3.381 -6.957 0.000) 7.735 4.324 ( 0.475 -4.355 -0.000) 4.381 4.498 ( 1.498 3.174 0.000) 3.510 4.552 ( 4.104 -1.695 0.000) 4.440 4.633 ( -0.848 3.803 0.000) 3.896 4.715 ( -0.470 -3.843 0.000) 3.871 4.837 ( -1.086 9.228 0.000) 9.292 5.005 ( -1.114 -4.180 0.000) 4.325 5.090 ( 3.581 -2.060 -0.000) 4.131 5.099 ( 5.471 -1.241 0.000) 5.610 5.219 ( 3.996 1.756 0.000) 4.365 5.264 ( 7.924 -1.937 0.000) 8.157 5.485 ( 3.767 4.390 0.000) 5.785 5.537 ( 1.719 2.309 -0.000) 2.879 5.558 ( 3.963 -2.124 0.000) 4.497 5.600 ( 0.513 -3.390 0.000) 3.429 5.916 ( -2.884 5.935 0.000) 6.599 6.043 ( 2.460 -4.345 0.000) 4.993 6.174 ( -4.381 -0.896 0.000) 4.471 6.188 ( -9.490 -2.598 -0.000) 9.839 6.451 ( -1.013 0.897 0.000) 1.353 6.455 ( -0.586 0.815 -0.000) 1.003 6.478 ( 0.039 2.213 0.000) 2.213 6.527 ( -0.124 -1.981 0.000) 1.985 6.683 ( 1.568 3.427 0.000) 3.769 6.707 ( 2.497 1.873 0.000) 3.121 6.762 ( 1.111 -1.343 0.000) 1.743 6.784 ( -0.046 -3.298 0.000) 3.299 7.011 ( -1.329 1.378 0.000) 1.914 7.062 ( -1.708 -2.978 0.000) 3.433 7.216 ( 1.089 3.544 -0.000) 3.708 7.273 ( 1.716 -1.142 0.000) 2.062 7.580 ( -4.275 2.090 0.000) 4.759 7.678 ( -2.628 -6.198 0.000) 6.732 7.961 ( -3.670 4.225 0.000) 5.596 8.028 ( -2.942 -1.795 0.000) 3.447 9.346 ( 0.725 1.161 0.000) 1.369 9.373 ( 0.843 -1.142 0.000) 1.419 9.407 ( 1.255 1.768 0.000) 2.168 9.438 ( 1.453 -0.887 0.000) 1.702 10.137 ( -0.071 -0.016 0.000) 0.073 10.140 ( -0.261 -0.291 -0.000) 0.391 10.162 ( -1.344 0.497 0.000) 1.433 10.172 ( -1.516 -0.293 0.000) 1.544 10.513 ( -0.580 0.917 0.000) 1.085 10.529 ( 0.146 1.078 0.000) 1.088 10.534 ( -0.813 -0.973 0.000) 1.268 10.550 ( -0.092 -0.830 0.000) 0.835 11.903 ( 2.366 0.166 0.000) 2.372 11.929 ( 2.789 -2.198 0.000) 3.551 12.123 ( 4.793 2.839 0.000) 5.571 12.163 ( 5.141 -0.593 0.000) 5.175 12.671 ( -0.314 1.927 0.000) 1.953 12.729 ( 1.978 -2.755 0.000) 3.392 12.789 ( 0.223 3.539 0.000) 3.546 12.892 ( 3.131 -4.721 0.000) 5.665 14.155 ( -1.690 0.983 0.000) 1.955 14.176 ( -2.248 0.036 0.000) 2.249 14.186 ( -3.434 -0.269 0.000) 3.444 14.204 ( -4.715 -1.030 -0.000) 4.826 15.055 ( -0.647 0.014 0.000) 0.647 15.060 ( -1.905 -0.370 0.000) 1.941 15.078 ( -2.320 0.360 0.000) 2.348 15.092 ( -3.335 -0.847 -0.000) 3.441 15.679 ( 1.878 1.033 -0.000) 2.143 15.715 ( 1.785 -2.273 0.000) 2.890 15.792 ( 2.126 2.525 0.000) 3.301 15.840 ( 0.620 -1.751 0.000) 1.858 16.190 ( -0.632 2.947 0.000) 3.014 16.315 ( 4.526 -5.999 0.000) 7.515 16.402 ( 0.375 0.737 0.000) 0.827 16.414 ( 4.535 0.478 0.000) 4.560 16.509 ( -5.047 0.897 0.000) 5.126 16.571 ( -3.414 -5.848 0.000) 6.772 17.248 ( 1.272 10.769 0.000) 10.844 17.409 ( 2.726 -3.549 0.000) 4.475 17.613 ( 0.677 0.531 0.000) 0.860 17.613 ( -0.020 0.662 -0.000) 0.663 17.623 ( -0.918 0.685 -0.000) 1.145 17.635 ( -1.241 -0.218 0.000) 1.260 =================== 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 3/24000 10.0 18.007 10.960 17.593 0.000 0.000 0.000 3/24000 20.0 6.430 2.721 5.961 0.000 0.000 0.000 3/24000 30.0 3.650 1.366 3.229 0.000 0.000 0.000 3/24000 40.0 2.536 0.897 2.168 0.000 0.000 0.000 3/24000 50.0 1.958 0.675 1.636 0.000 0.000 0.000 3/24000 60.0 1.614 0.548 1.326 0.000 0.000 0.000 3/24000 70.0 1.390 0.466 1.125 0.000 0.000 0.000 3/24000 80.0 1.234 0.408 0.984 0.000 0.000 0.000 3/24000 90.0 1.118 0.365 0.881 0.000 0.000 0.000 3/24000 100.0 1.030 0.332 0.801 0.000 0.000 0.000 3/24000 110.0 0.959 0.305 0.738 0.000 0.000 0.000 3/24000 120.0 0.901 0.283 0.686 0.000 0.000 0.000 3/24000 130.0 0.852 0.265 0.643 0.000 0.000 0.000 3/24000 140.0 0.809 0.249 0.606 0.000 0.000 0.000 3/24000 150.0 0.772 0.236 0.574 0.000 0.000 0.000 3/24000 160.0 0.739 0.225 0.546 0.000 0.000 0.000 3/24000 170.0 0.709 0.214 0.521 0.000 0.000 0.000 3/24000 180.0 0.682 0.205 0.499 0.000 0.000 0.000 3/24000 190.0 0.657 0.197 0.479 0.000 0.000 0.000 3/24000 200.0 0.634 0.190 0.460 0.000 0.000 0.000 3/24000 210.0 0.612 0.183 0.443 0.000 0.000 0.000 3/24000 220.0 0.592 0.177 0.427 0.000 0.000 0.000 3/24000 230.0 0.573 0.171 0.413 0.000 0.000 0.000 3/24000 240.0 0.556 0.166 0.399 0.000 0.000 0.000 3/24000 250.0 0.539 0.160 0.387 0.000 0.000 0.000 3/24000 260.0 0.523 0.156 0.375 0.000 0.000 0.000 3/24000 270.0 0.508 0.151 0.364 0.000 0.000 0.000 3/24000 280.0 0.494 0.147 0.353 0.000 0.000 0.000 3/24000 290.0 0.481 0.143 0.343 0.000 0.000 0.000 3/24000 300.0 0.468 0.139 0.334 0.000 0.000 0.000 3/24000 310.0 0.456 0.136 0.325 0.000 0.000 0.000 3/24000 320.0 0.444 0.132 0.316 0.000 0.000 0.000 3/24000 330.0 0.433 0.129 0.308 0.000 0.000 0.000 3/24000 340.0 0.423 0.126 0.300 0.000 0.000 0.000 3/24000 350.0 0.413 0.123 0.293 0.000 0.000 0.000 3/24000 360.0 0.403 0.120 0.286 0.000 0.000 0.000 3/24000 370.0 0.394 0.118 0.279 0.000 0.000 0.000 3/24000 380.0 0.385 0.115 0.273 0.000 0.000 0.000 3/24000 390.0 0.377 0.113 0.267 0.000 0.000 0.000 3/24000 400.0 0.368 0.110 0.261 0.000 0.000 0.000 3/24000 410.0 0.361 0.108 0.255 0.000 0.000 0.000 3/24000 420.0 0.353 0.106 0.250 0.000 0.000 0.000 3/24000 430.0 0.346 0.104 0.245 0.000 0.000 0.000 3/24000 440.0 0.339 0.101 0.240 0.000 0.000 0.000 3/24000 450.0 0.332 0.100 0.235 0.000 0.000 0.000 3/24000 460.0 0.326 0.098 0.231 0.000 0.000 0.000 3/24000 470.0 0.320 0.096 0.226 0.000 0.000 0.000 3/24000 480.0 0.314 0.094 0.222 0.000 0.000 0.000 3/24000 490.0 0.308 0.092 0.218 0.000 0.000 0.000 3/24000 500.0 0.302 0.091 0.214 0.000 0.000 0.000 3/24000 510.0 0.297 0.089 0.210 0.000 0.000 0.000 3/24000 520.0 0.292 0.088 0.206 0.000 0.000 0.000 3/24000 530.0 0.287 0.086 0.203 0.000 0.000 0.000 3/24000 540.0 0.282 0.085 0.199 0.000 0.000 0.000 3/24000 550.0 0.277 0.083 0.196 0.000 0.000 0.000 3/24000 560.0 0.273 0.082 0.193 0.000 0.000 0.000 3/24000 570.0 0.268 0.081 0.189 0.000 0.000 0.000 3/24000 580.0 0.264 0.079 0.186 0.000 0.000 0.000 3/24000 590.0 0.260 0.078 0.183 0.000 0.000 0.000 3/24000 600.0 0.256 0.077 0.181 0.000 0.000 0.000 3/24000 610.0 0.252 0.076 0.178 0.000 0.000 0.000 3/24000 620.0 0.248 0.075 0.175 0.000 0.000 0.000 3/24000 630.0 0.244 0.074 0.172 0.000 0.000 0.000 3/24000 640.0 0.241 0.072 0.170 0.000 0.000 0.000 3/24000 650.0 0.237 0.071 0.167 0.000 0.000 0.000 3/24000 660.0 0.234 0.070 0.165 0.000 0.000 0.000 3/24000 670.0 0.231 0.069 0.163 0.000 0.000 0.000 3/24000 680.0 0.227 0.068 0.160 0.000 0.000 0.000 3/24000 690.0 0.224 0.068 0.158 0.000 0.000 0.000 3/24000 700.0 0.221 0.067 0.156 0.000 0.000 0.000 3/24000 710.0 0.218 0.066 0.154 0.000 0.000 0.000 3/24000 720.0 0.215 0.065 0.152 0.000 0.000 0.000 3/24000 730.0 0.213 0.064 0.150 0.000 0.000 0.000 3/24000 740.0 0.210 0.063 0.148 0.000 0.000 0.000 3/24000 750.0 0.207 0.062 0.146 0.000 0.000 0.000 3/24000 760.0 0.205 0.062 0.144 0.000 0.000 0.000 3/24000 770.0 0.202 0.061 0.143 0.000 0.000 0.000 3/24000 780.0 0.200 0.060 0.141 0.000 0.000 0.000 3/24000 790.0 0.197 0.059 0.139 0.000 0.000 0.000 3/24000 800.0 0.195 0.059 0.137 0.000 0.000 0.000 3/24000 810.0 0.192 0.058 0.136 0.000 0.000 0.000 3/24000 820.0 0.190 0.057 0.134 0.000 0.000 0.000 3/24000 830.0 0.188 0.057 0.133 0.000 0.000 0.000 3/24000 840.0 0.186 0.056 0.131 0.000 0.000 0.000 3/24000 850.0 0.184 0.055 0.130 0.000 0.000 0.000 3/24000 860.0 0.182 0.055 0.128 0.000 0.000 0.000 3/24000 870.0 0.180 0.054 0.127 0.000 0.000 0.000 3/24000 880.0 0.178 0.054 0.125 0.000 0.000 0.000 3/24000 890.0 0.176 0.053 0.124 0.000 0.000 0.000 3/24000 900.0 0.174 0.053 0.123 0.000 0.000 0.000 3/24000 910.0 0.172 0.052 0.121 0.000 0.000 0.000 3/24000 920.0 0.170 0.051 0.120 0.000 0.000 0.000 3/24000 930.0 0.168 0.051 0.119 0.000 0.000 0.000 3/24000 940.0 0.167 0.050 0.118 0.000 0.000 0.000 3/24000 950.0 0.165 0.050 0.116 0.000 0.000 0.000 3/24000 960.0 0.163 0.049 0.115 0.000 0.000 0.000 3/24000 970.0 0.162 0.049 0.114 0.000 0.000 0.000 3/24000 980.0 0.160 0.048 0.113 0.000 0.000 0.000 3/24000 990.0 0.159 0.048 0.112 0.000 0.000 0.000 3/24000 1000.0 0.157 0.047 0.111 0.000 0.000 0.000 3/24000 Thermal conductivity related properties were written into "kappa-m558.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:10:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|