----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:17:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.655348150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.914034600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.965997390000000 Atomic positions (fractional): *1 Li 0.01910202942743 0.36495918027732 0.23912968469897 6.941 2 Li 0.98089797057257 0.63504081972268 0.23912968469897 6.941 3 Li 0.51910202942743 0.13504081972268 0.26087031530103 6.941 4 Li 0.48089797057257 0.86495918027732 0.26087031530103 6.941 5 Li 0.98089797057257 0.63504081972268 0.76087031530103 6.941 6 Li 0.01910202942743 0.36495918027732 0.76087031530103 6.941 7 Li 0.48089797057257 0.86495918027732 0.73912968469897 6.941 8 Li 0.51910202942743 0.13504081972268 0.73912968469897 6.941 *9 Li 0.20451760733578 0.42109054215900 0.00000000000000 6.941 10 Li 0.79548239266422 0.57890945784100 0.00000000000000 6.941 11 Li 0.70451760733578 0.07890945784100 0.50000000000000 6.941 12 Li 0.29548239266422 0.92109054215900 0.50000000000000 6.941 *13 N 0.30202057063693 0.01767027405892 0.23638247765577 14.007 14 N 0.69797942936307 0.98232972594108 0.23638247765577 14.007 15 N 0.80202057063693 0.48232972594108 0.26361752234423 14.007 16 N 0.19797942936307 0.51767027405892 0.26361752234423 14.007 17 N 0.69797942936307 0.98232972594108 0.76361752234423 14.007 18 N 0.30202057063693 0.01767027405892 0.76361752234423 14.007 19 N 0.19797942936307 0.51767027405892 0.73638247765577 14.007 20 N 0.80202057063693 0.48232972594108 0.73638247765577 14.007 *21 N 0.07157421670696 0.22069720291940 0.00000000000000 14.007 22 N 0.92842578329304 0.77930279708060 0.00000000000000 14.007 23 N 0.57157421670696 0.27930279708060 0.50000000000000 14.007 24 N 0.42842578329304 0.72069720291940 0.50000000000000 14.007 *25 N 0.45494186719252 0.28392360426231 0.00000000000000 14.007 26 N 0.54505813280748 0.71607639573769 0.00000000000000 14.007 27 N 0.95494186719252 0.21607639573769 0.50000000000000 14.007 28 N 0.04505813280748 0.78392360426231 0.50000000000000 14.007 *29 Sr 0.24070013130242 0.75219697792587 0.00000000000000 87.620 30 Sr 0.75929986869758 0.24780302207413 0.00000000000000 87.620 31 Sr 0.74070013130242 0.74780302207413 0.50000000000000 87.620 32 Sr 0.25929986869758 0.25219697792587 0.50000000000000 87.620 *33 Sr 0.00000000000000 0.00000000000000 0.25988757363627 87.620 34 Sr 0.50000000000000 0.50000000000000 0.24011242636373 87.620 35 Sr 0.00000000000000 0.00000000000000 0.74011242636373 87.620 36 Sr 0.50000000000000 0.50000000000000 0.75988757363627 87.620 *37 Nb 0.28583542807825 0.13680768413590 0.00000000000000 92.906 38 Nb 0.71416457192175 0.86319231586410 0.00000000000000 92.906 39 Nb 0.78583542807825 0.36319231586410 0.50000000000000 92.906 40 Nb 0.21416457192175 0.63680768413590 0.50000000000000 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.655348150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.914034600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.965997390000000 Atomic positions (fractional): *1 Li 0.01910202942743 0.36495918027732 0.23912968469897 6.941 > 1 2 Li 0.98089797057257 0.63504081972268 0.23912968469897 6.941 > 2 3 Li 0.51910202942743 0.13504081972268 0.26087031530103 6.941 > 3 4 Li 0.48089797057257 0.86495918027732 0.26087031530103 6.941 > 4 5 Li 0.98089797057257 0.63504081972268 0.76087031530103 6.941 > 5 6 Li 0.01910202942743 0.36495918027732 0.76087031530103 6.941 > 6 7 Li 0.48089797057257 0.86495918027732 0.73912968469897 6.941 > 7 8 Li 0.51910202942743 0.13504081972268 0.73912968469897 6.941 > 8 *9 Li 0.20451760733578 0.42109054215900 0.00000000000000 6.941 > 9 10 Li 0.79548239266422 0.57890945784100 0.00000000000000 6.941 > 10 11 Li 0.70451760733578 0.07890945784100 0.50000000000000 6.941 > 11 12 Li 0.29548239266422 0.92109054215900 0.50000000000000 6.941 > 12 *13 N 0.30202057063693 0.01767027405892 0.23638247765577 14.007 > 13 14 N 0.69797942936307 0.98232972594108 0.23638247765577 14.007 > 14 15 N 0.80202057063693 0.48232972594108 0.26361752234423 14.007 > 15 16 N 0.19797942936307 0.51767027405892 0.26361752234423 14.007 > 16 17 N 0.69797942936307 0.98232972594108 0.76361752234423 14.007 > 17 18 N 0.30202057063693 0.01767027405892 0.76361752234423 14.007 > 18 19 N 0.19797942936307 0.51767027405892 0.73638247765577 14.007 > 19 20 N 0.80202057063693 0.48232972594108 0.73638247765577 14.007 > 20 *21 N 0.07157421670696 0.22069720291940 0.00000000000000 14.007 > 21 22 N 0.92842578329304 0.77930279708060 0.00000000000000 14.007 > 22 23 N 0.57157421670696 0.27930279708060 0.50000000000000 14.007 > 23 24 N 0.42842578329304 0.72069720291940 0.50000000000000 14.007 > 24 *25 N 0.45494186719252 0.28392360426231 0.00000000000000 14.007 > 25 26 N 0.54505813280748 0.71607639573769 0.00000000000000 14.007 > 26 27 N 0.95494186719252 0.21607639573769 0.50000000000000 14.007 > 27 28 N 0.04505813280748 0.78392360426231 0.50000000000000 14.007 > 28 *29 Sr 0.24070013130242 0.75219697792587 0.00000000000000 87.620 > 29 30 Sr 0.75929986869758 0.24780302207413 0.00000000000000 87.620 > 30 31 Sr 0.74070013130242 0.74780302207413 0.50000000000000 87.620 > 31 32 Sr 0.25929986869758 0.25219697792587 0.50000000000000 87.620 > 32 *33 Sr 0.00000000000000 0.00000000000000 0.25988757363627 87.620 > 33 34 Sr 0.50000000000000 0.50000000000000 0.24011242636373 87.620 > 34 35 Sr 0.00000000000000 0.00000000000000 0.74011242636373 87.620 > 35 36 Sr 0.50000000000000 0.50000000000000 0.75988757363627 87.620 > 36 *37 Nb 0.28583542807825 0.13680768413590 0.00000000000000 92.906 > 37 38 Nb 0.71416457192175 0.86319231586410 0.00000000000000 92.906 > 38 39 Nb 0.78583542807825 0.36319231586410 0.50000000000000 92.906 > 39 40 Nb 0.21416457192175 0.63680768413590 0.50000000000000 92.906 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.655348150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.914034600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.931994780000000 Atomic positions (fractional): *1 Li 0.01910202942743 0.36495918027732 0.11956484234949 6.941 > 1 2 Li 0.01910202942743 0.36495918027732 0.61956484234949 6.941 > 1 3 Li 0.98089797057257 0.63504081972268 0.11956484234949 6.941 > 2 4 Li 0.98089797057257 0.63504081972268 0.61956484234949 6.941 > 2 5 Li 0.51910202942743 0.13504081972268 0.13043515765051 6.941 > 3 6 Li 0.51910202942743 0.13504081972268 0.63043515765051 6.941 > 3 7 Li 0.48089797057257 0.86495918027732 0.13043515765051 6.941 > 4 8 Li 0.48089797057257 0.86495918027732 0.63043515765051 6.941 > 4 9 Li 0.98089797057257 0.63504081972268 0.38043515765051 6.941 > 5 10 Li 0.98089797057257 0.63504081972268 0.88043515765051 6.941 > 5 11 Li 0.01910202942743 0.36495918027732 0.38043515765051 6.941 > 6 12 Li 0.01910202942743 0.36495918027732 0.88043515765051 6.941 > 6 13 Li 0.48089797057257 0.86495918027732 0.36956484234949 6.941 > 7 14 Li 0.48089797057257 0.86495918027732 0.86956484234949 6.941 > 7 15 Li 0.51910202942743 0.13504081972268 0.36956484234949 6.941 > 8 16 Li 0.51910202942743 0.13504081972268 0.86956484234949 6.941 > 8 *17 Li 0.20451760733578 0.42109054215900 0.00000000000000 6.941 > 9 18 Li 0.20451760733578 0.42109054215900 0.50000000000000 6.941 > 9 19 Li 0.79548239266422 0.57890945784100 0.00000000000000 6.941 > 10 20 Li 0.79548239266422 0.57890945784100 0.50000000000000 6.941 > 10 21 Li 0.70451760733578 0.07890945784100 0.25000000000000 6.941 > 11 22 Li 0.70451760733578 0.07890945784100 0.75000000000000 6.941 > 11 23 Li 0.29548239266422 0.92109054215900 0.25000000000000 6.941 > 12 24 Li 0.29548239266422 0.92109054215900 0.75000000000000 6.941 > 12 *25 N 0.30202057063693 0.01767027405892 0.11819123882789 14.007 > 13 26 N 0.30202057063693 0.01767027405892 0.61819123882789 14.007 > 13 27 N 0.69797942936307 0.98232972594108 0.11819123882789 14.007 > 14 28 N 0.69797942936307 0.98232972594108 0.61819123882789 14.007 > 14 29 N 0.80202057063693 0.48232972594108 0.13180876117211 14.007 > 15 30 N 0.80202057063693 0.48232972594108 0.63180876117211 14.007 > 15 31 N 0.19797942936307 0.51767027405892 0.13180876117211 14.007 > 16 32 N 0.19797942936307 0.51767027405892 0.63180876117211 14.007 > 16 33 N 0.69797942936307 0.98232972594108 0.38180876117211 14.007 > 17 34 N 0.69797942936307 0.98232972594108 0.88180876117211 14.007 > 17 35 N 0.30202057063693 0.01767027405892 0.38180876117211 14.007 > 18 36 N 0.30202057063693 0.01767027405892 0.88180876117211 14.007 > 18 37 N 0.19797942936307 0.51767027405892 0.36819123882789 14.007 > 19 38 N 0.19797942936307 0.51767027405892 0.86819123882789 14.007 > 19 39 N 0.80202057063693 0.48232972594108 0.36819123882789 14.007 > 20 40 N 0.80202057063693 0.48232972594108 0.86819123882789 14.007 > 20 *41 N 0.07157421670696 0.22069720291940 0.00000000000000 14.007 > 21 42 N 0.07157421670696 0.22069720291940 0.50000000000000 14.007 > 21 43 N 0.92842578329304 0.77930279708060 0.00000000000000 14.007 > 22 44 N 0.92842578329304 0.77930279708060 0.50000000000000 14.007 > 22 45 N 0.57157421670696 0.27930279708060 0.25000000000000 14.007 > 23 46 N 0.57157421670696 0.27930279708060 0.75000000000000 14.007 > 23 47 N 0.42842578329304 0.72069720291940 0.25000000000000 14.007 > 24 48 N 0.42842578329304 0.72069720291940 0.75000000000000 14.007 > 24 *49 N 0.45494186719252 0.28392360426231 0.00000000000000 14.007 > 25 50 N 0.45494186719252 0.28392360426231 0.50000000000000 14.007 > 25 51 N 0.54505813280748 0.71607639573769 0.00000000000000 14.007 > 26 52 N 0.54505813280748 0.71607639573769 0.50000000000000 14.007 > 26 53 N 0.95494186719252 0.21607639573769 0.25000000000000 14.007 > 27 54 N 0.95494186719252 0.21607639573769 0.75000000000000 14.007 > 27 55 N 0.04505813280748 0.78392360426231 0.25000000000000 14.007 > 28 56 N 0.04505813280748 0.78392360426231 0.75000000000000 14.007 > 28 *57 Sr 0.24070013130242 0.75219697792587 0.00000000000000 87.620 > 29 58 Sr 0.24070013130242 0.75219697792587 0.50000000000000 87.620 > 29 59 Sr 0.75929986869758 0.24780302207413 0.00000000000000 87.620 > 30 60 Sr 0.75929986869758 0.24780302207413 0.50000000000000 87.620 > 30 61 Sr 0.74070013130242 0.74780302207413 0.25000000000000 87.620 > 31 62 Sr 0.74070013130242 0.74780302207413 0.75000000000000 87.620 > 31 63 Sr 0.25929986869758 0.25219697792587 0.25000000000000 87.620 > 32 64 Sr 0.25929986869758 0.25219697792587 0.75000000000000 87.620 > 32 *65 Sr 0.00000000000000 0.00000000000000 0.12994378681813 87.620 > 33 66 Sr 0.00000000000000 0.00000000000000 0.62994378681813 87.620 > 33 67 Sr 0.50000000000000 0.50000000000000 0.12005621318187 87.620 > 34 68 Sr 0.50000000000000 0.50000000000000 0.62005621318187 87.620 > 34 69 Sr 0.00000000000000 0.00000000000000 0.37005621318187 87.620 > 35 70 Sr 0.00000000000000 0.00000000000000 0.87005621318187 87.620 > 35 71 Sr 0.50000000000000 0.50000000000000 0.37994378681813 87.620 > 36 72 Sr 0.50000000000000 0.50000000000000 0.87994378681813 87.620 > 36 *73 Nb 0.28583542807825 0.13680768413590 0.00000000000000 92.906 > 37 74 Nb 0.28583542807825 0.13680768413590 0.50000000000000 92.906 > 37 75 Nb 0.71416457192175 0.86319231586410 0.00000000000000 92.906 > 38 76 Nb 0.71416457192175 0.86319231586410 0.50000000000000 92.906 > 38 77 Nb 0.78583542807825 0.36319231586410 0.25000000000000 92.906 > 39 78 Nb 0.78583542807825 0.36319231586410 0.75000000000000 92.906 > 39 79 Nb 0.21416457192175 0.63680768413590 0.25000000000000 92.906 > 40 80 Nb 0.21416457192175 0.63680768413590 0.75000000000000 92.906 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9484508 0.0000000 0.0000000 0.0000000 5.6433938 0.0000000 0.0000000 0.0000000 5.9897511 -------------------------- Born effective charges -------------------------- 1 Li 0.9811059 0.0128938 -0.3172115 0.1615903 0.8611564 0.1297623 -0.1427013 0.2091222 0.8281518 2 Li 0.9811059 0.0128938 0.3172115 0.1615903 0.8611564 -0.1297623 0.1427013 -0.2091222 0.8281518 3 Li 0.9811059 -0.0128938 0.3172115 -0.1615903 0.8611564 0.1297623 0.1427013 0.2091222 0.8281518 4 Li 0.9811059 -0.0128938 -0.3172115 -0.1615903 0.8611564 -0.1297623 -0.1427013 -0.2091222 0.8281518 5 Li 0.9811059 0.0128938 -0.3172115 0.1615903 0.8611564 0.1297623 -0.1427013 0.2091222 0.8281518 6 Li 0.9811059 0.0128938 0.3172115 0.1615903 0.8611564 -0.1297623 0.1427013 -0.2091222 0.8281518 7 Li 0.9811059 -0.0128938 0.3172115 -0.1615903 0.8611564 0.1297623 0.1427013 0.2091222 0.8281518 8 Li 0.9811059 -0.0128938 -0.3172115 -0.1615903 0.8611564 -0.1297623 -0.1427013 -0.2091222 0.8281518 9 Li 0.6902381 -0.0397947 0.0000000 -0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 10 Li 0.6902381 -0.0397947 0.0000000 -0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 11 Li 0.6902381 0.0397947 0.0000000 0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 12 Li 0.6902381 0.0397947 0.0000000 0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 13 N -1.9021401 0.0692153 -0.0053603 0.0869431 -2.4270285 0.7851882 -0.0055867 0.9520348 -3.2792198 14 N -1.9021401 0.0692153 0.0053603 0.0869431 -2.4270285 -0.7851882 0.0055867 -0.9520348 -3.2792198 15 N -1.9021401 -0.0692153 0.0053603 -0.0869431 -2.4270285 0.7851882 0.0055867 0.9520348 -3.2792198 16 N -1.9021401 -0.0692153 -0.0053603 -0.0869431 -2.4270285 -0.7851882 -0.0055867 -0.9520348 -3.2792198 17 N -1.9021401 0.0692153 -0.0053603 0.0869431 -2.4270285 0.7851882 -0.0055867 0.9520348 -3.2792198 18 N -1.9021401 0.0692153 0.0053603 0.0869431 -2.4270285 -0.7851882 0.0055867 -0.9520348 -3.2792198 19 N -1.9021401 -0.0692153 0.0053603 -0.0869431 -2.4270285 0.7851882 0.0055867 0.9520348 -3.2792198 20 N -1.9021401 -0.0692153 -0.0053603 -0.0869431 -2.4270285 -0.7851882 -0.0055867 -0.9520348 -3.2792198 21 N -3.8865774 0.6803106 0.0000000 0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 22 N -3.8865774 0.6803106 0.0000000 0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 23 N -3.8865774 -0.6803106 0.0000000 -0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 24 N -3.8865774 -0.6803106 0.0000000 -0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 25 N -3.3561221 -1.2534799 0.0000000 -1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 26 N -3.3561221 -1.2534799 0.0000000 -1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 27 N -3.3561221 1.2534799 0.0000000 1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 28 N -3.3561221 1.2534799 0.0000000 1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 29 Sr 3.0013960 -0.0794196 0.0000000 0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 30 Sr 3.0013960 -0.0794196 0.0000000 0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 31 Sr 3.0013960 0.0794196 0.0000000 -0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 32 Sr 3.0013960 0.0794196 0.0000000 -0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 33 Sr 2.2493034 0.0060935 0.0000000 0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 34 Sr 2.2493034 -0.0060935 0.0000000 -0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 35 Sr 2.2493034 0.0060935 0.0000000 0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 36 Sr 2.2493034 -0.0060935 0.0000000 -0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 37 Nb 3.1438304 0.2060757 0.0000000 0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 38 Nb 3.1438304 0.2060757 0.0000000 0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 39 Nb 3.1438304 -0.2060757 0.0000000 -0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 40 Nb 3.1438304 -0.2060757 0.0000000 -0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 ---------------------------------------------------------------------------- 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: 1917 Number of blocks in projector: 1917 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: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1869), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 438), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.345 Solver_block: 200 / 640 - Time: 2.466 Solver_block: 300 / 640 - Time: 2.410 Solver_block: 400 / 640 - Time: 2.234 Solver_block: 500 / 640 - Time: 2.185 Solver_block: 600 / 640 - Time: 2.182 Solver_block: 640 / 640 - Time: 0.945 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.906 --------------------------------- 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: 1917 Number of blocks in projector: 1917 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: 454 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 346 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 257 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 257 Use standard eigh solver. Tree of FC basis block matrices: - (1917, 1869), data: False |-- (257, 249), data: True |-- (257, 249), data: True |-- (257, 249), data: True |-- (346, 342), data: True |-- (346, 342), data: True |-- (454, 438), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:17:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:17:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.655348150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.914034600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.965997390000000 Atomic positions (fractional): 1 Li 0.01910202942743 0.36495918027732 0.23912968469897 6.941 2 Li 0.98089797057257 0.63504081972268 0.23912968469897 6.941 3 Li 0.51910202942743 0.13504081972268 0.26087031530103 6.941 4 Li 0.48089797057257 0.86495918027732 0.26087031530103 6.941 5 Li 0.98089797057257 0.63504081972268 0.76087031530103 6.941 6 Li 0.01910202942743 0.36495918027732 0.76087031530103 6.941 7 Li 0.48089797057257 0.86495918027732 0.73912968469897 6.941 8 Li 0.51910202942743 0.13504081972268 0.73912968469897 6.941 9 Li 0.20451760733578 0.42109054215900 0.00000000000000 6.941 10 Li 0.79548239266422 0.57890945784100 0.00000000000000 6.941 11 Li 0.70451760733578 0.07890945784100 0.50000000000000 6.941 12 Li 0.29548239266422 0.92109054215900 0.50000000000000 6.941 13 N 0.30202057063693 0.01767027405892 0.23638247765577 14.007 14 N 0.69797942936307 0.98232972594108 0.23638247765577 14.007 15 N 0.80202057063693 0.48232972594108 0.26361752234423 14.007 16 N 0.19797942936307 0.51767027405892 0.26361752234423 14.007 17 N 0.69797942936307 0.98232972594108 0.76361752234423 14.007 18 N 0.30202057063693 0.01767027405892 0.76361752234423 14.007 19 N 0.19797942936307 0.51767027405892 0.73638247765577 14.007 20 N 0.80202057063693 0.48232972594108 0.73638247765577 14.007 21 N 0.07157421670696 0.22069720291940 0.00000000000000 14.007 22 N 0.92842578329304 0.77930279708060 0.00000000000000 14.007 23 N 0.57157421670696 0.27930279708060 0.50000000000000 14.007 24 N 0.42842578329304 0.72069720291940 0.50000000000000 14.007 25 N 0.45494186719252 0.28392360426231 0.00000000000000 14.007 26 N 0.54505813280748 0.71607639573769 0.00000000000000 14.007 27 N 0.95494186719252 0.21607639573769 0.50000000000000 14.007 28 N 0.04505813280748 0.78392360426231 0.50000000000000 14.007 29 Sr 0.24070013130242 0.75219697792587 0.00000000000000 87.620 30 Sr 0.75929986869758 0.24780302207413 0.00000000000000 87.620 31 Sr 0.74070013130242 0.74780302207413 0.50000000000000 87.620 32 Sr 0.25929986869758 0.25219697792587 0.50000000000000 87.620 33 Sr 0.00000000000000 0.00000000000000 0.25988757363627 87.620 34 Sr 0.50000000000000 0.50000000000000 0.24011242636373 87.620 35 Sr 0.00000000000000 0.00000000000000 0.74011242636373 87.620 36 Sr 0.50000000000000 0.50000000000000 0.75988757363627 87.620 37 Nb 0.28583542807825 0.13680768413590 0.00000000000000 92.906 38 Nb 0.71416457192175 0.86319231586410 0.00000000000000 92.906 39 Nb 0.78583542807825 0.36319231586410 0.50000000000000 92.906 40 Nb 0.21416457192175 0.63680768413590 0.50000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.655348150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.914034600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.931994780000000 Atomic positions (fractional): 1 Li 0.01910202942743 0.36495918027732 0.11956484234949 6.941 > 1 2 Li 0.01910202942743 0.36495918027732 0.61956484234949 6.941 > 1 3 Li 0.98089797057257 0.63504081972268 0.11956484234949 6.941 > 3 4 Li 0.98089797057257 0.63504081972268 0.61956484234949 6.941 > 3 5 Li 0.51910202942743 0.13504081972268 0.13043515765051 6.941 > 5 6 Li 0.51910202942743 0.13504081972268 0.63043515765051 6.941 > 5 7 Li 0.48089797057257 0.86495918027732 0.13043515765051 6.941 > 7 8 Li 0.48089797057257 0.86495918027732 0.63043515765051 6.941 > 7 9 Li 0.98089797057257 0.63504081972268 0.38043515765051 6.941 > 9 10 Li 0.98089797057257 0.63504081972268 0.88043515765051 6.941 > 9 11 Li 0.01910202942743 0.36495918027732 0.38043515765051 6.941 > 11 12 Li 0.01910202942743 0.36495918027732 0.88043515765051 6.941 > 11 13 Li 0.48089797057257 0.86495918027732 0.36956484234949 6.941 > 13 14 Li 0.48089797057257 0.86495918027732 0.86956484234949 6.941 > 13 15 Li 0.51910202942743 0.13504081972268 0.36956484234949 6.941 > 15 16 Li 0.51910202942743 0.13504081972268 0.86956484234949 6.941 > 15 17 Li 0.20451760733578 0.42109054215900 0.00000000000000 6.941 > 17 18 Li 0.20451760733578 0.42109054215900 0.50000000000000 6.941 > 17 19 Li 0.79548239266422 0.57890945784100 0.00000000000000 6.941 > 19 20 Li 0.79548239266422 0.57890945784100 0.50000000000000 6.941 > 19 21 Li 0.70451760733578 0.07890945784100 0.25000000000000 6.941 > 21 22 Li 0.70451760733578 0.07890945784100 0.75000000000000 6.941 > 21 23 Li 0.29548239266422 0.92109054215900 0.25000000000000 6.941 > 23 24 Li 0.29548239266422 0.92109054215900 0.75000000000000 6.941 > 23 25 N 0.30202057063693 0.01767027405892 0.11819123882789 14.007 > 25 26 N 0.30202057063693 0.01767027405892 0.61819123882789 14.007 > 25 27 N 0.69797942936307 0.98232972594108 0.11819123882789 14.007 > 27 28 N 0.69797942936307 0.98232972594108 0.61819123882789 14.007 > 27 29 N 0.80202057063693 0.48232972594108 0.13180876117211 14.007 > 29 30 N 0.80202057063693 0.48232972594108 0.63180876117211 14.007 > 29 31 N 0.19797942936307 0.51767027405892 0.13180876117211 14.007 > 31 32 N 0.19797942936307 0.51767027405892 0.63180876117211 14.007 > 31 33 N 0.69797942936307 0.98232972594108 0.38180876117211 14.007 > 33 34 N 0.69797942936307 0.98232972594108 0.88180876117211 14.007 > 33 35 N 0.30202057063693 0.01767027405892 0.38180876117211 14.007 > 35 36 N 0.30202057063693 0.01767027405892 0.88180876117211 14.007 > 35 37 N 0.19797942936307 0.51767027405892 0.36819123882789 14.007 > 37 38 N 0.19797942936307 0.51767027405892 0.86819123882789 14.007 > 37 39 N 0.80202057063693 0.48232972594108 0.36819123882789 14.007 > 39 40 N 0.80202057063693 0.48232972594108 0.86819123882789 14.007 > 39 41 N 0.07157421670696 0.22069720291940 0.00000000000000 14.007 > 41 42 N 0.07157421670696 0.22069720291940 0.50000000000000 14.007 > 41 43 N 0.92842578329304 0.77930279708060 0.00000000000000 14.007 > 43 44 N 0.92842578329304 0.77930279708060 0.50000000000000 14.007 > 43 45 N 0.57157421670696 0.27930279708060 0.25000000000000 14.007 > 45 46 N 0.57157421670696 0.27930279708060 0.75000000000000 14.007 > 45 47 N 0.42842578329304 0.72069720291940 0.25000000000000 14.007 > 47 48 N 0.42842578329304 0.72069720291940 0.75000000000000 14.007 > 47 49 N 0.45494186719252 0.28392360426231 0.00000000000000 14.007 > 49 50 N 0.45494186719252 0.28392360426231 0.50000000000000 14.007 > 49 51 N 0.54505813280748 0.71607639573769 0.00000000000000 14.007 > 51 52 N 0.54505813280748 0.71607639573769 0.50000000000000 14.007 > 51 53 N 0.95494186719252 0.21607639573769 0.25000000000000 14.007 > 53 54 N 0.95494186719252 0.21607639573769 0.75000000000000 14.007 > 53 55 N 0.04505813280748 0.78392360426231 0.25000000000000 14.007 > 55 56 N 0.04505813280748 0.78392360426231 0.75000000000000 14.007 > 55 57 Sr 0.24070013130242 0.75219697792587 0.00000000000000 87.620 > 57 58 Sr 0.24070013130242 0.75219697792587 0.50000000000000 87.620 > 57 59 Sr 0.75929986869758 0.24780302207413 0.00000000000000 87.620 > 59 60 Sr 0.75929986869758 0.24780302207413 0.50000000000000 87.620 > 59 61 Sr 0.74070013130242 0.74780302207413 0.25000000000000 87.620 > 61 62 Sr 0.74070013130242 0.74780302207413 0.75000000000000 87.620 > 61 63 Sr 0.25929986869758 0.25219697792587 0.25000000000000 87.620 > 63 64 Sr 0.25929986869758 0.25219697792587 0.75000000000000 87.620 > 63 65 Sr 0.00000000000000 0.00000000000000 0.12994378681813 87.620 > 65 66 Sr 0.00000000000000 0.00000000000000 0.62994378681813 87.620 > 65 67 Sr 0.50000000000000 0.50000000000000 0.12005621318187 87.620 > 67 68 Sr 0.50000000000000 0.50000000000000 0.62005621318187 87.620 > 67 69 Sr 0.00000000000000 0.00000000000000 0.37005621318187 87.620 > 69 70 Sr 0.00000000000000 0.00000000000000 0.87005621318187 87.620 > 69 71 Sr 0.50000000000000 0.50000000000000 0.37994378681813 87.620 > 71 72 Sr 0.50000000000000 0.50000000000000 0.87994378681813 87.620 > 71 73 Nb 0.28583542807825 0.13680768413590 0.00000000000000 92.906 > 73 74 Nb 0.28583542807825 0.13680768413590 0.50000000000000 92.906 > 73 75 Nb 0.71416457192175 0.86319231586410 0.00000000000000 92.906 > 75 76 Nb 0.71416457192175 0.86319231586410 0.50000000000000 92.906 > 75 77 Nb 0.78583542807825 0.36319231586410 0.25000000000000 92.906 > 77 78 Nb 0.78583542807825 0.36319231586410 0.75000000000000 92.906 > 77 79 Nb 0.21416457192175 0.63680768413590 0.25000000000000 92.906 > 79 80 Nb 0.21416457192175 0.63680768413590 0.75000000000000 92.906 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9484508 0.0000000 0.0000000 0.0000000 5.6433938 0.0000000 0.0000000 0.0000000 5.9897511 -------------------------- Born effective charges -------------------------- 1 Li 0.9811059 0.0128938 -0.3172115 0.1615903 0.8611564 0.1297623 -0.1427013 0.2091222 0.8281518 2 Li 0.9811059 0.0128938 0.3172115 0.1615903 0.8611564 -0.1297623 0.1427013 -0.2091222 0.8281518 3 Li 0.9811059 -0.0128938 0.3172115 -0.1615903 0.8611564 0.1297623 0.1427013 0.2091222 0.8281518 4 Li 0.9811059 -0.0128938 -0.3172115 -0.1615903 0.8611564 -0.1297623 -0.1427013 -0.2091222 0.8281518 5 Li 0.9811059 0.0128938 -0.3172115 0.1615903 0.8611564 0.1297623 -0.1427013 0.2091222 0.8281518 6 Li 0.9811059 0.0128938 0.3172115 0.1615903 0.8611564 -0.1297623 0.1427013 -0.2091222 0.8281518 7 Li 0.9811059 -0.0128938 0.3172115 -0.1615903 0.8611564 0.1297623 0.1427013 0.2091222 0.8281518 8 Li 0.9811059 -0.0128938 -0.3172115 -0.1615903 0.8611564 -0.1297623 -0.1427013 -0.2091222 0.8281518 9 Li 0.6902381 -0.0397947 0.0000000 -0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 10 Li 0.6902381 -0.0397947 0.0000000 -0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 11 Li 0.6902381 0.0397947 0.0000000 0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 12 Li 0.6902381 0.0397947 0.0000000 0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 13 N -1.9021401 0.0692153 -0.0053603 0.0869431 -2.4270285 0.7851882 -0.0055867 0.9520348 -3.2792198 14 N -1.9021401 0.0692153 0.0053603 0.0869431 -2.4270285 -0.7851882 0.0055867 -0.9520348 -3.2792198 15 N -1.9021401 -0.0692153 0.0053603 -0.0869431 -2.4270285 0.7851882 0.0055867 0.9520348 -3.2792198 16 N -1.9021401 -0.0692153 -0.0053603 -0.0869431 -2.4270285 -0.7851882 -0.0055867 -0.9520348 -3.2792198 17 N -1.9021401 0.0692153 -0.0053603 0.0869431 -2.4270285 0.7851882 -0.0055867 0.9520348 -3.2792198 18 N -1.9021401 0.0692153 0.0053603 0.0869431 -2.4270285 -0.7851882 0.0055867 -0.9520348 -3.2792198 19 N -1.9021401 -0.0692153 0.0053603 -0.0869431 -2.4270285 0.7851882 0.0055867 0.9520348 -3.2792198 20 N -1.9021401 -0.0692153 -0.0053603 -0.0869431 -2.4270285 -0.7851882 -0.0055867 -0.9520348 -3.2792198 21 N -3.8865774 0.6803106 0.0000000 0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 22 N -3.8865774 0.6803106 0.0000000 0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 23 N -3.8865774 -0.6803106 0.0000000 -0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 24 N -3.8865774 -0.6803106 0.0000000 -0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 25 N -3.3561221 -1.2534799 0.0000000 -1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 26 N -3.3561221 -1.2534799 0.0000000 -1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 27 N -3.3561221 1.2534799 0.0000000 1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 28 N -3.3561221 1.2534799 0.0000000 1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 29 Sr 3.0013960 -0.0794196 0.0000000 0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 30 Sr 3.0013960 -0.0794196 0.0000000 0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 31 Sr 3.0013960 0.0794196 0.0000000 -0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 32 Sr 3.0013960 0.0794196 0.0000000 -0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 33 Sr 2.2493034 0.0060935 0.0000000 0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 34 Sr 2.2493034 -0.0060935 0.0000000 -0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 35 Sr 2.2493034 0.0060935 0.0000000 0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 36 Sr 2.2493034 -0.0060935 0.0000000 -0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 37 Nb 3.1438304 0.2060757 0.0000000 0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 38 Nb 3.1438304 0.2060757 0.0000000 0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 39 Nb 3.1438304 -0.2060757 0.0000000 -0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 40 Nb 3.1438304 -0.2060757 0.0000000 -0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 10:18:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:18:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.655348150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.914034600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.965997390000000 Atomic positions (fractional): 1 Li 0.01910202942743 0.36495918027732 0.23912968469897 6.941 2 Li 0.98089797057257 0.63504081972268 0.23912968469897 6.941 3 Li 0.51910202942743 0.13504081972268 0.26087031530103 6.941 4 Li 0.48089797057257 0.86495918027732 0.26087031530103 6.941 5 Li 0.98089797057257 0.63504081972268 0.76087031530103 6.941 6 Li 0.01910202942743 0.36495918027732 0.76087031530103 6.941 7 Li 0.48089797057257 0.86495918027732 0.73912968469897 6.941 8 Li 0.51910202942743 0.13504081972268 0.73912968469897 6.941 9 Li 0.20451760733578 0.42109054215900 0.00000000000000 6.941 10 Li 0.79548239266422 0.57890945784100 0.00000000000000 6.941 11 Li 0.70451760733578 0.07890945784100 0.50000000000000 6.941 12 Li 0.29548239266422 0.92109054215900 0.50000000000000 6.941 13 N 0.30202057063693 0.01767027405892 0.23638247765577 14.007 14 N 0.69797942936307 0.98232972594108 0.23638247765577 14.007 15 N 0.80202057063693 0.48232972594108 0.26361752234423 14.007 16 N 0.19797942936307 0.51767027405892 0.26361752234423 14.007 17 N 0.69797942936307 0.98232972594108 0.76361752234423 14.007 18 N 0.30202057063693 0.01767027405892 0.76361752234423 14.007 19 N 0.19797942936307 0.51767027405892 0.73638247765577 14.007 20 N 0.80202057063693 0.48232972594108 0.73638247765577 14.007 21 N 0.07157421670696 0.22069720291940 0.00000000000000 14.007 22 N 0.92842578329304 0.77930279708060 0.00000000000000 14.007 23 N 0.57157421670696 0.27930279708060 0.50000000000000 14.007 24 N 0.42842578329304 0.72069720291940 0.50000000000000 14.007 25 N 0.45494186719252 0.28392360426231 0.00000000000000 14.007 26 N 0.54505813280748 0.71607639573769 0.00000000000000 14.007 27 N 0.95494186719252 0.21607639573769 0.50000000000000 14.007 28 N 0.04505813280748 0.78392360426231 0.50000000000000 14.007 29 Sr 0.24070013130242 0.75219697792587 0.00000000000000 87.620 30 Sr 0.75929986869758 0.24780302207413 0.00000000000000 87.620 31 Sr 0.74070013130242 0.74780302207413 0.50000000000000 87.620 32 Sr 0.25929986869758 0.25219697792587 0.50000000000000 87.620 33 Sr 0.00000000000000 0.00000000000000 0.25988757363627 87.620 34 Sr 0.50000000000000 0.50000000000000 0.24011242636373 87.620 35 Sr 0.00000000000000 0.00000000000000 0.74011242636373 87.620 36 Sr 0.50000000000000 0.50000000000000 0.75988757363627 87.620 37 Nb 0.28583542807825 0.13680768413590 0.00000000000000 92.906 38 Nb 0.71416457192175 0.86319231586410 0.00000000000000 92.906 39 Nb 0.78583542807825 0.36319231586410 0.50000000000000 92.906 40 Nb 0.21416457192175 0.63680768413590 0.50000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.655348150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.914034600000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.931994780000000 Atomic positions (fractional): 1 Li 0.01910202942743 0.36495918027732 0.11956484234949 6.941 > 1 2 Li 0.01910202942743 0.36495918027732 0.61956484234949 6.941 > 1 3 Li 0.98089797057257 0.63504081972268 0.11956484234949 6.941 > 3 4 Li 0.98089797057257 0.63504081972268 0.61956484234949 6.941 > 3 5 Li 0.51910202942743 0.13504081972268 0.13043515765051 6.941 > 5 6 Li 0.51910202942743 0.13504081972268 0.63043515765051 6.941 > 5 7 Li 0.48089797057257 0.86495918027732 0.13043515765051 6.941 > 7 8 Li 0.48089797057257 0.86495918027732 0.63043515765051 6.941 > 7 9 Li 0.98089797057257 0.63504081972268 0.38043515765051 6.941 > 9 10 Li 0.98089797057257 0.63504081972268 0.88043515765051 6.941 > 9 11 Li 0.01910202942743 0.36495918027732 0.38043515765051 6.941 > 11 12 Li 0.01910202942743 0.36495918027732 0.88043515765051 6.941 > 11 13 Li 0.48089797057257 0.86495918027732 0.36956484234949 6.941 > 13 14 Li 0.48089797057257 0.86495918027732 0.86956484234949 6.941 > 13 15 Li 0.51910202942743 0.13504081972268 0.36956484234949 6.941 > 15 16 Li 0.51910202942743 0.13504081972268 0.86956484234949 6.941 > 15 17 Li 0.20451760733578 0.42109054215900 0.00000000000000 6.941 > 17 18 Li 0.20451760733578 0.42109054215900 0.50000000000000 6.941 > 17 19 Li 0.79548239266422 0.57890945784100 0.00000000000000 6.941 > 19 20 Li 0.79548239266422 0.57890945784100 0.50000000000000 6.941 > 19 21 Li 0.70451760733578 0.07890945784100 0.25000000000000 6.941 > 21 22 Li 0.70451760733578 0.07890945784100 0.75000000000000 6.941 > 21 23 Li 0.29548239266422 0.92109054215900 0.25000000000000 6.941 > 23 24 Li 0.29548239266422 0.92109054215900 0.75000000000000 6.941 > 23 25 N 0.30202057063693 0.01767027405892 0.11819123882789 14.007 > 25 26 N 0.30202057063693 0.01767027405892 0.61819123882789 14.007 > 25 27 N 0.69797942936307 0.98232972594108 0.11819123882789 14.007 > 27 28 N 0.69797942936307 0.98232972594108 0.61819123882789 14.007 > 27 29 N 0.80202057063693 0.48232972594108 0.13180876117211 14.007 > 29 30 N 0.80202057063693 0.48232972594108 0.63180876117211 14.007 > 29 31 N 0.19797942936307 0.51767027405892 0.13180876117211 14.007 > 31 32 N 0.19797942936307 0.51767027405892 0.63180876117211 14.007 > 31 33 N 0.69797942936307 0.98232972594108 0.38180876117211 14.007 > 33 34 N 0.69797942936307 0.98232972594108 0.88180876117211 14.007 > 33 35 N 0.30202057063693 0.01767027405892 0.38180876117211 14.007 > 35 36 N 0.30202057063693 0.01767027405892 0.88180876117211 14.007 > 35 37 N 0.19797942936307 0.51767027405892 0.36819123882789 14.007 > 37 38 N 0.19797942936307 0.51767027405892 0.86819123882789 14.007 > 37 39 N 0.80202057063693 0.48232972594108 0.36819123882789 14.007 > 39 40 N 0.80202057063693 0.48232972594108 0.86819123882789 14.007 > 39 41 N 0.07157421670696 0.22069720291940 0.00000000000000 14.007 > 41 42 N 0.07157421670696 0.22069720291940 0.50000000000000 14.007 > 41 43 N 0.92842578329304 0.77930279708060 0.00000000000000 14.007 > 43 44 N 0.92842578329304 0.77930279708060 0.50000000000000 14.007 > 43 45 N 0.57157421670696 0.27930279708060 0.25000000000000 14.007 > 45 46 N 0.57157421670696 0.27930279708060 0.75000000000000 14.007 > 45 47 N 0.42842578329304 0.72069720291940 0.25000000000000 14.007 > 47 48 N 0.42842578329304 0.72069720291940 0.75000000000000 14.007 > 47 49 N 0.45494186719252 0.28392360426231 0.00000000000000 14.007 > 49 50 N 0.45494186719252 0.28392360426231 0.50000000000000 14.007 > 49 51 N 0.54505813280748 0.71607639573769 0.00000000000000 14.007 > 51 52 N 0.54505813280748 0.71607639573769 0.50000000000000 14.007 > 51 53 N 0.95494186719252 0.21607639573769 0.25000000000000 14.007 > 53 54 N 0.95494186719252 0.21607639573769 0.75000000000000 14.007 > 53 55 N 0.04505813280748 0.78392360426231 0.25000000000000 14.007 > 55 56 N 0.04505813280748 0.78392360426231 0.75000000000000 14.007 > 55 57 Sr 0.24070013130242 0.75219697792587 0.00000000000000 87.620 > 57 58 Sr 0.24070013130242 0.75219697792587 0.50000000000000 87.620 > 57 59 Sr 0.75929986869758 0.24780302207413 0.00000000000000 87.620 > 59 60 Sr 0.75929986869758 0.24780302207413 0.50000000000000 87.620 > 59 61 Sr 0.74070013130242 0.74780302207413 0.25000000000000 87.620 > 61 62 Sr 0.74070013130242 0.74780302207413 0.75000000000000 87.620 > 61 63 Sr 0.25929986869758 0.25219697792587 0.25000000000000 87.620 > 63 64 Sr 0.25929986869758 0.25219697792587 0.75000000000000 87.620 > 63 65 Sr 0.00000000000000 0.00000000000000 0.12994378681813 87.620 > 65 66 Sr 0.00000000000000 0.00000000000000 0.62994378681813 87.620 > 65 67 Sr 0.50000000000000 0.50000000000000 0.12005621318187 87.620 > 67 68 Sr 0.50000000000000 0.50000000000000 0.62005621318187 87.620 > 67 69 Sr 0.00000000000000 0.00000000000000 0.37005621318187 87.620 > 69 70 Sr 0.00000000000000 0.00000000000000 0.87005621318187 87.620 > 69 71 Sr 0.50000000000000 0.50000000000000 0.37994378681813 87.620 > 71 72 Sr 0.50000000000000 0.50000000000000 0.87994378681813 87.620 > 71 73 Nb 0.28583542807825 0.13680768413590 0.00000000000000 92.906 > 73 74 Nb 0.28583542807825 0.13680768413590 0.50000000000000 92.906 > 73 75 Nb 0.71416457192175 0.86319231586410 0.00000000000000 92.906 > 75 76 Nb 0.71416457192175 0.86319231586410 0.50000000000000 92.906 > 75 77 Nb 0.78583542807825 0.36319231586410 0.25000000000000 92.906 > 77 78 Nb 0.78583542807825 0.36319231586410 0.75000000000000 92.906 > 77 79 Nb 0.21416457192175 0.63680768413590 0.25000000000000 92.906 > 79 80 Nb 0.21416457192175 0.63680768413590 0.75000000000000 92.906 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9484508 0.0000000 0.0000000 0.0000000 5.6433938 0.0000000 0.0000000 0.0000000 5.9897511 -------------------------- Born effective charges -------------------------- 1 Li 0.9811059 0.0128938 -0.3172115 0.1615903 0.8611564 0.1297623 -0.1427013 0.2091222 0.8281518 2 Li 0.9811059 0.0128938 0.3172115 0.1615903 0.8611564 -0.1297623 0.1427013 -0.2091222 0.8281518 3 Li 0.9811059 -0.0128938 0.3172115 -0.1615903 0.8611564 0.1297623 0.1427013 0.2091222 0.8281518 4 Li 0.9811059 -0.0128938 -0.3172115 -0.1615903 0.8611564 -0.1297623 -0.1427013 -0.2091222 0.8281518 5 Li 0.9811059 0.0128938 -0.3172115 0.1615903 0.8611564 0.1297623 -0.1427013 0.2091222 0.8281518 6 Li 0.9811059 0.0128938 0.3172115 0.1615903 0.8611564 -0.1297623 0.1427013 -0.2091222 0.8281518 7 Li 0.9811059 -0.0128938 0.3172115 -0.1615903 0.8611564 0.1297623 0.1427013 0.2091222 0.8281518 8 Li 0.9811059 -0.0128938 -0.3172115 -0.1615903 0.8611564 -0.1297623 -0.1427013 -0.2091222 0.8281518 9 Li 0.6902381 -0.0397947 0.0000000 -0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 10 Li 0.6902381 -0.0397947 0.0000000 -0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 11 Li 0.6902381 0.0397947 0.0000000 0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 12 Li 0.6902381 0.0397947 0.0000000 0.0900516 1.1299159 0.0000000 0.0000000 0.0000000 1.2110446 13 N -1.9021401 0.0692153 -0.0053603 0.0869431 -2.4270285 0.7851882 -0.0055867 0.9520348 -3.2792198 14 N -1.9021401 0.0692153 0.0053603 0.0869431 -2.4270285 -0.7851882 0.0055867 -0.9520348 -3.2792198 15 N -1.9021401 -0.0692153 0.0053603 -0.0869431 -2.4270285 0.7851882 0.0055867 0.9520348 -3.2792198 16 N -1.9021401 -0.0692153 -0.0053603 -0.0869431 -2.4270285 -0.7851882 -0.0055867 -0.9520348 -3.2792198 17 N -1.9021401 0.0692153 -0.0053603 0.0869431 -2.4270285 0.7851882 -0.0055867 0.9520348 -3.2792198 18 N -1.9021401 0.0692153 0.0053603 0.0869431 -2.4270285 -0.7851882 0.0055867 -0.9520348 -3.2792198 19 N -1.9021401 -0.0692153 0.0053603 -0.0869431 -2.4270285 0.7851882 0.0055867 0.9520348 -3.2792198 20 N -1.9021401 -0.0692153 -0.0053603 -0.0869431 -2.4270285 -0.7851882 -0.0055867 -0.9520348 -3.2792198 21 N -3.8865774 0.6803106 0.0000000 0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 22 N -3.8865774 0.6803106 0.0000000 0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 23 N -3.8865774 -0.6803106 0.0000000 -0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 24 N -3.8865774 -0.6803106 0.0000000 -0.2364482 -2.0741367 0.0000000 0.0000000 0.0000000 -2.0006145 25 N -3.3561221 -1.2534799 0.0000000 -1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 26 N -3.3561221 -1.2534799 0.0000000 -1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 27 N -3.3561221 1.2534799 0.0000000 1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 28 N -3.3561221 1.2534799 0.0000000 1.0297490 -3.1689578 0.0000000 0.0000000 0.0000000 -1.9806408 29 Sr 3.0013960 -0.0794196 0.0000000 0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 30 Sr 3.0013960 -0.0794196 0.0000000 0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 31 Sr 3.0013960 0.0794196 0.0000000 -0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 32 Sr 3.0013960 0.0794196 0.0000000 -0.0308031 2.4610432 0.0000000 0.0000000 0.0000000 2.7601547 33 Sr 2.2493034 0.0060935 0.0000000 0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 34 Sr 2.2493034 -0.0060935 0.0000000 -0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 35 Sr 2.2493034 0.0060935 0.0000000 0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 36 Sr 2.2493034 -0.0060935 0.0000000 -0.4290426 2.4834393 0.0000000 0.0000000 0.0000000 2.2670491 37 Nb 3.1438304 0.2060757 0.0000000 0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 38 Nb 3.1438304 0.2060757 0.0000000 0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 39 Nb 3.1438304 -0.2060757 0.0000000 -0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 40 Nb 3.1438304 -0.2060757 0.0000000 -0.3066427 2.3004404 0.0000000 0.0000000 0.0000000 2.6451430 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 7 ] 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: 0.51, Number of G-points: 319, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.767 ( 0.000 0.000 0.000) 0.000 3.816 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.889 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.670 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.686 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 7.375 ( 0.000 0.000 0.000) 0.000 7.395 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 8.147 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.855 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.290 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 9.774 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 9.800 ( 0.000 0.000 0.000) 0.000 10.017 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.299 ( 0.000 0.000 0.000) 0.000 10.405 ( 0.000 0.000 0.000) 0.000 10.539 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.633 ( 0.000 0.000 0.000) 0.000 10.662 ( 0.000 0.000 0.000) 0.000 10.827 ( 0.000 0.000 0.000) 0.000 10.854 ( 0.000 0.000 0.000) 0.000 11.166 ( 0.000 0.000 0.000) 0.000 11.356 ( 0.000 0.000 0.000) 0.000 11.499 ( 0.000 0.000 0.000) 0.000 11.567 ( 0.000 0.000 0.000) 0.000 11.967 ( 0.000 0.000 0.000) 0.000 12.019 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.407 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 12.531 ( 0.000 0.000 0.000) 0.000 12.731 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 13.065 ( 0.000 0.000 0.000) 0.000 13.185 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.478 ( 0.000 0.000 0.000) 0.000 13.548 ( 0.000 0.000 0.000) 0.000 13.575 ( 0.000 0.000 0.000) 0.000 13.599 ( 0.000 0.000 0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 13.950 ( 0.000 0.000 0.000) 0.000 13.970 ( 0.000 0.000 0.000) 0.000 13.984 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 14.796 ( 0.000 0.000 0.000) 0.000 14.879 ( 0.000 0.000 0.000) 0.000 15.303 ( 0.000 0.000 0.000) 0.000 15.606 ( 0.000 0.000 0.000) 0.000 15.713 ( 0.000 0.000 0.000) 0.000 15.782 ( 0.000 0.000 0.000) 0.000 15.799 ( 0.000 0.000 0.000) 0.000 15.989 ( 0.000 0.000 0.000) 0.000 16.087 ( 0.000 0.000 0.000) 0.000 16.115 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 18.121 ( 0.000 0.000 0.000) 0.000 18.270 ( 0.000 0.000 0.000) 0.000 18.480 ( 0.000 0.000 0.000) 0.000 19.456 ( 0.000 0.000 0.000) 0.000 19.732 ( 0.000 0.000 0.000) 0.000 19.822 ( 0.000 0.000 0.000) 0.000 20.194 ( 0.000 0.000 0.000) 0.000 20.266 ( 0.000 0.000 0.000) 0.000 20.266 ( 0.000 0.000 0.000) 0.000 20.288 ( 0.000 0.000 0.000) 0.000 20.479 ( 0.000 0.000 0.000) 0.000 21.545 ( 0.000 0.000 0.000) 0.000 23.285 ( 0.000 0.000 0.000) 0.000 23.337 ( 0.000 0.000 0.000) 0.000 23.771 ( 0.000 0.000 0.000) 0.000 23.851 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 32.797 0.000 0.000) 32.797 0.733 ( 37.180 0.000 0.000) 37.180 0.950 ( 45.396 0.000 0.000) 45.396 1.661 ( 2.890 0.000 0.000) 2.890 1.903 ( -3.135 0.000 0.000) 3.135 2.070 ( 10.257 0.000 0.000) 10.257 2.076 ( 3.670 0.000 0.000) 3.670 2.148 ( 8.012 0.000 0.000) 8.012 2.439 ( -0.348 0.000 0.000) 0.348 2.820 ( -11.912 0.000 0.000) 11.912 2.906 ( -7.612 0.000 0.000) 7.612 2.907 ( -5.549 0.000 0.000) 5.549 3.028 ( -7.389 0.000 0.000) 7.389 3.055 ( -0.506 0.000 0.000) 0.506 3.197 ( 1.489 0.000 0.000) 1.489 3.444 ( -2.980 0.000 0.000) 2.980 3.482 ( 7.664 0.000 0.000) 7.664 3.593 ( -2.024 0.000 0.000) 2.024 3.632 ( -4.719 0.000 0.000) 4.719 3.806 ( -4.186 0.000 0.000) 4.186 3.900 ( -0.312 0.000 0.000) 0.312 3.926 ( 9.003 0.000 0.000) 9.003 3.937 ( -3.091 0.000 0.000) 3.091 4.022 ( 1.301 0.000 0.000) 1.301 4.152 ( -3.299 0.000 0.000) 3.299 4.418 ( -3.087 0.000 0.000) 3.087 4.476 ( -0.808 0.000 0.000) 0.808 4.661 ( 4.328 0.000 0.000) 4.328 4.717 ( 7.213 0.000 0.000) 7.213 4.742 ( 0.989 0.000 0.000) 0.989 5.012 ( -0.895 0.000 0.000) 0.895 5.075 ( 3.403 0.000 0.000) 3.403 5.497 ( -0.917 0.000 0.000) 0.917 5.753 ( -4.197 0.000 0.000) 4.197 5.868 ( -8.506 0.000 0.000) 8.506 5.951 ( -2.598 0.000 0.000) 2.598 6.101 ( -0.488 0.000 0.000) 0.488 6.390 ( 8.506 0.000 0.000) 8.506 6.561 ( -6.630 0.000 0.000) 6.630 6.752 ( 2.170 0.000 0.000) 2.170 7.104 ( -0.346 0.000 0.000) 0.346 7.290 ( -8.769 0.000 0.000) 8.769 7.344 ( -5.423 0.000 0.000) 5.423 7.467 ( -0.941 0.000 0.000) 0.941 7.734 ( -17.215 0.000 0.000) 17.215 7.821 ( 3.237 0.000 0.000) 3.237 8.031 ( 0.432 0.000 0.000) 0.432 8.063 ( -8.298 0.000 0.000) 8.298 8.312 ( 3.298 0.000 0.000) 3.298 8.393 ( 3.859 0.000 0.000) 3.859 8.518 ( 6.907 0.000 0.000) 6.907 8.592 ( 7.311 0.000 0.000) 7.311 8.832 ( -2.076 0.000 0.000) 2.076 9.150 ( -10.407 0.000 0.000) 10.407 9.245 ( 6.887 0.000 0.000) 6.887 9.483 ( 0.951 0.000 0.000) 0.951 9.738 ( -2.439 0.000 0.000) 2.439 9.836 ( 3.849 0.000 0.000) 3.849 9.940 ( -4.138 0.000 0.000) 4.138 10.006 ( 16.168 0.000 0.000) 16.168 10.291 ( -6.585 0.000 0.000) 6.585 10.363 ( 5.470 0.000 0.000) 5.470 10.450 ( -7.796 0.000 0.000) 7.796 10.472 ( 11.260 0.000 0.000) 11.260 10.513 ( -10.921 0.000 0.000) 10.921 10.788 ( 11.736 0.000 0.000) 11.736 10.790 ( -5.383 0.000 0.000) 5.383 10.812 ( -1.559 0.000 0.000) 1.559 11.239 ( 6.513 0.000 0.000) 6.513 11.317 ( -1.806 0.000 0.000) 1.806 11.413 ( 5.818 0.000 0.000) 5.818 11.454 ( -4.929 0.000 0.000) 4.929 11.613 ( 4.021 0.000 0.000) 4.021 11.985 ( -4.903 0.000 0.000) 4.903 12.007 ( -0.877 0.000 0.000) 0.877 12.068 ( 9.181 0.000 0.000) 9.181 12.379 ( -2.924 0.000 0.000) 2.924 12.503 ( 0.684 0.000 0.000) 0.684 12.513 ( -1.167 0.000 0.000) 1.167 12.721 ( -4.120 0.000 0.000) 4.120 12.834 ( 6.692 0.000 0.000) 6.692 13.083 ( 1.928 0.000 0.000) 1.928 13.181 ( -0.457 0.000 0.000) 0.457 13.235 ( 4.009 0.000 0.000) 4.009 13.484 ( 0.611 0.000 0.000) 0.611 13.545 ( -0.369 0.000 0.000) 0.369 13.550 ( -4.859 0.000 0.000) 4.859 13.567 ( -0.697 0.000 0.000) 0.697 13.675 ( 0.755 0.000 0.000) 0.755 13.922 ( -2.839 0.000 0.000) 2.839 13.939 ( -3.117 0.000 0.000) 3.117 13.940 ( -4.354 0.000 0.000) 4.354 14.641 ( 0.365 0.000 0.000) 0.365 14.823 ( 2.695 0.000 0.000) 2.695 14.845 ( -3.261 0.000 0.000) 3.261 15.259 ( -5.533 0.000 0.000) 5.533 15.612 ( 0.694 0.000 0.000) 0.694 15.766 ( -1.552 0.000 0.000) 1.552 15.811 ( 1.173 0.000 0.000) 1.173 15.958 ( -1.923 0.000 0.000) 1.923 16.080 ( 3.137 0.000 0.000) 3.137 16.091 ( 0.432 0.000 0.000) 0.432 16.144 ( 2.809 0.000 0.000) 2.809 16.329 ( -0.451 0.000 0.000) 0.451 18.187 ( 6.477 0.000 0.000) 6.477 18.515 ( 3.002 0.000 0.000) 3.002 19.449 ( -0.183 0.000 0.000) 0.183 19.740 ( 0.775 0.000 0.000) 0.775 19.818 ( -0.384 0.000 0.000) 0.384 19.993 ( -8.657 0.000 0.000) 8.657 20.197 ( 0.358 0.000 0.000) 0.358 20.261 ( -0.575 0.000 0.000) 0.575 20.384 ( 9.520 0.000 0.000) 9.520 20.557 ( 7.655 0.000 0.000) 7.655 21.464 ( -8.140 0.000 0.000) 8.140 21.600 ( -8.555 0.000 0.000) 8.555 23.305 ( 1.873 0.000 0.000) 1.873 23.347 ( 0.924 0.000 0.000) 0.924 23.848 ( -0.209 0.000 0.000) 0.209 23.855 ( -0.034 0.000 0.000) 0.034 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 29.701 0.000 0.000) 29.701 1.409 ( 32.081 0.000 0.000) 32.081 1.673 ( 28.630 0.000 0.000) 28.630 1.730 ( 3.929 0.000 0.000) 3.929 1.851 ( -2.457 0.000 0.000) 2.457 2.102 ( -2.272 0.000 0.000) 2.272 2.151 ( -5.633 0.000 0.000) 5.633 2.429 ( 15.404 0.000 0.000) 15.404 2.444 ( 1.385 0.000 0.000) 1.385 2.543 ( -16.334 0.000 0.000) 16.334 2.735 ( -11.833 0.000 0.000) 11.833 2.845 ( 10.772 0.000 0.000) 10.772 2.850 ( -10.345 0.000 0.000) 10.345 3.066 ( 1.938 0.000 0.000) 1.938 3.203 ( -1.980 0.000 0.000) 1.980 3.411 ( 1.057 0.000 0.000) 1.057 3.560 ( -0.798 0.000 0.000) 0.798 3.609 ( 1.043 0.000 0.000) 1.043 3.653 ( -9.499 0.000 0.000) 9.499 3.655 ( 0.823 0.000 0.000) 0.823 3.789 ( -4.292 0.000 0.000) 4.292 3.940 ( 2.256 0.000 0.000) 2.256 4.030 ( -0.784 0.000 0.000) 0.784 4.049 ( -0.488 0.000 0.000) 0.488 4.131 ( 6.020 0.000 0.000) 6.020 4.339 ( -3.070 0.000 0.000) 3.070 4.401 ( -5.909 0.000 0.000) 5.909 4.728 ( -11.590 0.000 0.000) 11.590 4.746 ( 3.793 0.000 0.000) 3.793 4.771 ( 1.724 0.000 0.000) 1.724 5.120 ( 13.551 0.000 0.000) 13.551 5.193 ( 7.832 0.000 0.000) 7.832 5.494 ( 1.103 0.000 0.000) 1.103 5.651 ( -5.879 0.000 0.000) 5.879 5.752 ( -2.249 0.000 0.000) 2.249 5.871 ( -5.240 0.000 0.000) 5.240 6.062 ( -2.153 0.000 0.000) 2.153 6.361 ( -13.372 0.000 0.000) 13.372 6.604 ( 13.126 0.000 0.000) 13.126 6.831 ( 5.852 0.000 0.000) 5.852 7.107 ( 1.202 0.000 0.000) 1.202 7.120 ( -8.339 0.000 0.000) 8.339 7.148 ( -13.201 0.000 0.000) 13.201 7.394 ( -15.639 0.000 0.000) 15.639 7.513 ( 5.082 0.000 0.000) 5.082 7.861 ( -11.579 0.000 0.000) 11.579 7.905 ( 5.103 0.000 0.000) 5.103 8.051 ( -0.378 0.000 0.000) 0.378 8.385 ( 3.899 0.000 0.000) 3.899 8.525 ( -3.509 0.000 0.000) 3.509 8.532 ( 9.830 0.000 0.000) 9.830 8.711 ( 4.398 0.000 0.000) 4.398 8.791 ( -1.951 0.000 0.000) 1.951 8.951 ( -10.304 0.000 0.000) 10.304 9.495 ( 16.495 0.000 0.000) 16.495 9.532 ( 4.427 0.000 0.000) 4.427 9.748 ( 4.487 0.000 0.000) 4.487 9.857 ( -4.963 0.000 0.000) 4.963 9.930 ( 5.430 0.000 0.000) 5.430 10.140 ( -6.575 0.000 0.000) 6.575 10.162 ( -9.432 0.000 0.000) 9.432 10.233 ( -14.320 0.000 0.000) 14.320 10.413 ( 9.732 0.000 0.000) 9.732 10.471 ( 5.295 0.000 0.000) 5.295 10.681 ( -5.472 0.000 0.000) 5.472 10.757 ( 15.503 0.000 0.000) 15.503 10.762 ( -3.954 0.000 0.000) 3.954 10.999 ( 9.911 0.000 0.000) 9.911 11.254 ( -5.657 0.000 0.000) 5.657 11.307 ( -9.290 0.000 0.000) 9.290 11.387 ( 8.552 0.000 0.000) 8.552 11.564 ( 9.116 0.000 0.000) 9.116 11.658 ( -1.321 0.000 0.000) 1.321 11.875 ( -6.358 0.000 0.000) 6.358 12.023 ( 3.785 0.000 0.000) 3.785 12.246 ( 3.584 0.000 0.000) 3.584 12.316 ( 1.092 0.000 0.000) 1.092 12.503 ( 0.193 0.000 0.000) 0.193 12.515 ( 0.333 0.000 0.000) 0.333 12.614 ( -6.753 0.000 0.000) 6.753 12.978 ( 7.414 0.000 0.000) 7.414 13.146 ( 4.786 0.000 0.000) 4.786 13.160 ( -1.963 0.000 0.000) 1.963 13.340 ( 6.619 0.000 0.000) 6.619 13.423 ( -7.845 0.000 0.000) 7.845 13.500 ( 0.933 0.000 0.000) 0.933 13.534 ( -0.708 0.000 0.000) 0.708 13.548 ( -1.617 0.000 0.000) 1.617 13.704 ( 2.439 0.000 0.000) 2.439 13.836 ( -5.435 0.000 0.000) 5.435 13.849 ( -4.227 0.000 0.000) 4.227 13.860 ( -4.737 0.000 0.000) 4.737 14.658 ( 1.474 0.000 0.000) 1.474 14.770 ( -4.053 0.000 0.000) 4.053 14.897 ( 4.876 0.000 0.000) 4.876 15.134 ( -6.877 0.000 0.000) 6.877 15.636 ( 1.767 0.000 0.000) 1.767 15.727 ( -2.442 0.000 0.000) 2.442 15.842 ( 1.945 0.000 0.000) 1.945 15.921 ( -1.967 0.000 0.000) 1.967 16.104 ( 0.858 0.000 0.000) 0.858 16.122 ( 0.957 0.000 0.000) 0.957 16.209 ( 3.591 0.000 0.000) 3.591 16.312 ( -1.427 0.000 0.000) 1.427 18.345 ( 9.019 0.000 0.000) 9.019 18.556 ( 0.193 0.000 0.000) 0.193 19.479 ( 3.976 0.000 0.000) 3.976 19.760 ( 1.255 0.000 0.000) 1.255 19.805 ( -10.456 0.000 0.000) 10.456 19.806 ( -0.876 0.000 0.000) 0.876 20.208 ( 0.761 0.000 0.000) 0.761 20.246 ( -0.967 0.000 0.000) 0.967 20.603 ( 12.893 0.000 0.000) 12.893 20.749 ( 11.214 0.000 0.000) 11.214 21.256 ( -12.295 0.000 0.000) 12.295 21.382 ( -13.243 0.000 0.000) 13.243 23.344 ( 1.883 0.000 0.000) 1.883 23.365 ( 0.761 0.000 0.000) 0.761 23.845 ( -0.038 0.000 0.000) 0.038 23.852 ( -0.208 0.000 0.000) 0.208 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -22.176 0.000 0.000) 22.176 1.767 ( 22.176 0.000 0.000) 22.176 1.800 ( -3.116 0.000 0.000) 3.116 1.800 ( 3.116 0.000 0.000) 3.116 1.916 ( -18.680 0.000 0.000) 18.680 1.916 ( 18.680 0.000 0.000) 18.680 2.197 ( -18.727 0.000 0.000) 18.727 2.197 ( 18.727 0.000 0.000) 18.727 2.523 ( -7.857 0.000 0.000) 7.857 2.523 ( 7.857 0.000 0.000) 7.857 2.650 ( -10.268 0.000 0.000) 10.268 2.650 ( 10.268 0.000 0.000) 10.268 3.130 ( -4.361 0.000 0.000) 4.361 3.130 ( 4.361 0.000 0.000) 4.361 3.296 ( -26.444 0.000 0.000) 26.444 3.296 ( 26.444 0.000 0.000) 26.444 3.492 ( -6.696 0.000 0.000) 6.696 3.492 ( 6.696 0.000 0.000) 6.696 3.591 ( -1.783 0.000 0.000) 1.783 3.591 ( 1.783 0.000 0.000) 1.783 3.937 ( -9.812 0.000 0.000) 9.812 3.937 ( 9.812 0.000 0.000) 9.812 3.993 ( -2.777 0.000 0.000) 2.777 3.993 ( 2.777 0.000 0.000) 2.777 4.274 ( -6.857 0.000 0.000) 6.857 4.274 ( 6.857 0.000 0.000) 6.857 4.442 ( -13.841 0.000 0.000) 13.841 4.442 ( 13.841 0.000 0.000) 13.841 4.789 ( -0.443 0.000 0.000) 0.443 4.789 ( 0.443 0.000 0.000) 0.443 5.291 ( -0.717 0.000 0.000) 0.717 5.291 ( 0.717 0.000 0.000) 0.717 5.547 ( -4.365 0.000 0.000) 4.365 5.547 ( 4.365 0.000 0.000) 4.365 5.776 ( -3.865 0.000 0.000) 3.865 5.776 ( 3.865 0.000 0.000) 3.865 6.115 ( -9.369 0.000 0.000) 9.369 6.115 ( 9.369 0.000 0.000) 9.369 6.875 ( -14.585 0.000 0.000) 14.585 6.875 ( 14.585 0.000 0.000) 14.585 6.966 ( -7.769 0.000 0.000) 7.769 6.966 ( 7.769 0.000 0.000) 7.769 7.176 ( -6.792 0.000 0.000) 6.792 7.176 ( 6.792 0.000 0.000) 6.792 7.653 ( -9.360 0.000 0.000) 9.360 7.653 ( 9.360 0.000 0.000) 9.360 8.001 ( -4.363 0.000 0.000) 4.363 8.001 ( 4.363 0.000 0.000) 4.363 8.455 ( -3.420 0.000 0.000) 3.420 8.455 ( 3.420 0.000 0.000) 3.420 8.732 ( -8.670 0.000 0.000) 8.670 8.732 ( 8.670 0.000 0.000) 8.670 8.772 ( -4.066 0.000 0.000) 4.066 8.772 ( 4.066 0.000 0.000) 4.066 9.640 ( -4.987 0.000 0.000) 4.987 9.640 ( 4.987 0.000 0.000) 4.987 9.915 ( -12.191 0.000 0.000) 12.191 9.915 ( 12.191 0.000 0.000) 12.191 9.924 ( -15.292 0.000 0.000) 15.292 9.924 ( 15.292 0.000 0.000) 15.292 10.035 ( -4.834 0.000 0.000) 4.834 10.035 ( 4.834 0.000 0.000) 4.834 10.560 ( -2.948 0.000 0.000) 2.948 10.560 ( 2.948 0.000 0.000) 2.948 10.648 ( -7.092 0.000 0.000) 7.092 10.648 ( 7.092 0.000 0.000) 7.092 11.044 ( -13.997 0.000 0.000) 13.997 11.044 ( 13.997 0.000 0.000) 13.997 11.165 ( -7.292 0.000 0.000) 7.292 11.165 ( 7.292 0.000 0.000) 7.292 11.554 ( -8.148 0.000 0.000) 8.148 11.554 ( 8.148 0.000 0.000) 8.148 11.736 ( -8.232 0.000 0.000) 8.232 11.736 ( 8.232 0.000 0.000) 8.232 12.145 ( -7.537 0.000 0.000) 7.537 12.145 ( 7.537 0.000 0.000) 7.537 12.467 ( -8.455 0.000 0.000) 8.455 12.467 ( 8.455 0.000 0.000) 8.455 12.513 ( -0.516 0.000 0.000) 0.516 12.513 ( 0.516 0.000 0.000) 0.516 13.097 ( -4.741 0.000 0.000) 4.741 13.097 ( 4.741 0.000 0.000) 4.741 13.268 ( -7.663 0.000 0.000) 7.663 13.268 ( 7.663 0.000 0.000) 7.663 13.474 ( -6.349 0.000 0.000) 6.349 13.474 ( 6.349 0.000 0.000) 6.349 13.518 ( -0.935 0.000 0.000) 0.935 13.518 ( 0.935 0.000 0.000) 0.935 13.770 ( -4.273 0.000 0.000) 4.273 13.770 ( 4.273 0.000 0.000) 4.273 13.787 ( -1.096 0.000 0.000) 1.096 13.787 ( 1.096 0.000 0.000) 1.096 14.700 ( -2.978 0.000 0.000) 2.978 14.700 ( 2.978 0.000 0.000) 2.978 15.006 ( -6.291 0.000 0.000) 6.291 15.006 ( 6.291 0.000 0.000) 6.291 15.678 ( -2.490 0.000 0.000) 2.490 15.678 ( 2.490 0.000 0.000) 2.490 15.882 ( -2.097 0.000 0.000) 2.097 15.882 ( 2.097 0.000 0.000) 2.097 16.121 ( -0.736 0.000 0.000) 0.736 16.121 ( 0.736 0.000 0.000) 0.736 16.272 ( -2.747 0.000 0.000) 2.747 16.272 ( 2.747 0.000 0.000) 2.747 18.499 ( -6.067 0.000 0.000) 6.067 18.499 ( 6.067 0.000 0.000) 6.067 19.610 ( -9.189 0.000 0.000) 9.189 19.610 ( 9.189 0.000 0.000) 9.189 19.785 ( -1.266 0.000 0.000) 1.266 19.785 ( 1.266 0.000 0.000) 1.266 20.226 ( -1.030 0.000 0.000) 1.030 20.226 ( 1.030 0.000 0.000) 1.030 20.839 ( -8.023 0.000 0.000) 8.023 20.839 ( 8.023 0.000 0.000) 8.023 21.147 ( -7.432 0.000 0.000) 7.432 21.147 ( 7.432 0.000 0.000) 7.432 23.369 ( -0.538 0.000 0.000) 0.538 23.369 ( 0.538 0.000 0.000) 0.538 23.848 ( -0.238 0.000 0.000) 0.238 23.848 ( 0.238 0.000 0.000) 0.238 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 28.003 0.000) 28.003 0.657 ( 0.000 34.273 0.000) 34.273 1.171 ( 0.000 60.491 0.000) 60.491 1.595 ( 0.000 -3.772 0.000) 3.772 1.965 ( 0.000 0.921 0.000) 0.921 1.982 ( 0.000 5.454 0.000) 5.454 1.995 ( 0.000 -1.221 0.000) 1.221 2.061 ( 0.000 -1.718 0.000) 1.718 2.413 ( 0.000 -2.722 0.000) 2.722 2.879 ( 0.000 -12.839 0.000) 12.839 2.980 ( 0.000 2.970 0.000) 2.970 2.987 ( 0.000 -4.842 0.000) 4.842 3.071 ( 0.000 11.336 0.000) 11.336 3.106 ( 0.000 1.951 0.000) 1.951 3.353 ( 0.000 11.266 0.000) 11.266 3.427 ( 0.000 1.870 0.000) 1.870 3.511 ( 0.000 -10.092 0.000) 10.092 3.530 ( 0.000 5.081 0.000) 5.081 3.791 ( 0.000 -5.123 0.000) 5.123 3.825 ( 0.000 5.695 0.000) 5.695 3.828 ( 0.000 -0.346 0.000) 0.346 3.964 ( 0.000 -3.018 0.000) 3.018 3.981 ( 0.000 -2.825 0.000) 2.825 4.003 ( 0.000 9.194 0.000) 9.194 4.230 ( 0.000 -0.074 0.000) 0.074 4.484 ( 0.000 2.507 0.000) 2.507 4.498 ( 0.000 4.241 0.000) 4.241 4.635 ( 0.000 2.210 0.000) 2.210 4.730 ( 0.000 -0.325 0.000) 0.325 4.903 ( 0.000 -10.813 0.000) 10.813 4.997 ( 0.000 -6.217 0.000) 6.217 5.076 ( 0.000 -7.129 0.000) 7.129 5.568 ( 0.000 5.981 0.000) 5.981 5.886 ( 0.000 9.608 0.000) 9.608 5.953 ( 0.000 -1.656 0.000) 1.656 6.025 ( 0.000 -4.679 0.000) 4.679 6.083 ( 0.000 4.359 0.000) 4.359 6.240 ( 0.000 -6.406 0.000) 6.406 6.337 ( 0.000 4.025 0.000) 4.025 6.689 ( 0.000 0.302 0.000) 0.302 6.738 ( 0.000 -0.112 0.000) 0.112 7.364 ( 0.000 -14.288 0.000) 14.288 7.409 ( 0.000 3.740 0.000) 3.740 7.453 ( 0.000 1.909 0.000) 1.909 7.680 ( 0.000 -3.544 0.000) 3.544 7.901 ( 0.000 2.233 0.000) 2.233 8.040 ( 0.000 -8.665 0.000) 8.665 8.249 ( 0.000 -2.731 0.000) 2.731 8.278 ( 0.000 -3.382 0.000) 3.382 8.426 ( 0.000 3.268 0.000) 3.268 8.476 ( 0.000 -5.872 0.000) 5.872 8.490 ( 0.000 -0.231 0.000) 0.231 8.909 ( 0.000 5.161 0.000) 5.161 9.271 ( 0.000 -2.003 0.000) 2.003 9.370 ( 0.000 4.082 0.000) 4.082 9.569 ( 0.000 8.510 0.000) 8.510 9.774 ( 0.000 0.904 0.000) 0.904 9.805 ( 0.000 3.892 0.000) 3.892 9.904 ( 0.000 9.394 0.000) 9.394 10.008 ( 0.000 -2.155 0.000) 2.155 10.219 ( 0.000 -7.359 0.000) 7.359 10.241 ( 0.000 1.584 0.000) 1.584 10.347 ( 0.000 -5.859 0.000) 5.859 10.616 ( 0.000 8.131 0.000) 8.131 10.664 ( 0.000 1.267 0.000) 1.267 10.668 ( 0.000 0.974 0.000) 0.974 10.802 ( 0.000 -1.919 0.000) 1.919 10.852 ( 0.000 -0.213 0.000) 0.213 10.852 ( 0.000 -0.213 0.000) 0.213 11.126 ( 0.000 -3.586 0.000) 3.586 11.419 ( 0.000 -7.110 0.000) 7.110 11.446 ( 0.000 -10.750 0.000) 10.750 11.534 ( 0.000 -3.709 0.000) 3.709 11.930 ( 0.000 -9.486 0.000) 9.486 11.988 ( 0.000 1.379 0.000) 1.379 12.013 ( 0.000 -0.451 0.000) 0.451 12.466 ( 0.000 5.677 0.000) 5.677 12.497 ( 0.000 -0.144 0.000) 0.144 12.525 ( 0.000 -0.636 0.000) 0.636 12.785 ( 0.000 5.436 0.000) 5.436 12.797 ( 0.000 1.851 0.000) 1.851 13.131 ( 0.000 7.631 0.000) 7.631 13.172 ( 0.000 -2.287 0.000) 2.287 13.255 ( 0.000 6.951 0.000) 6.951 13.487 ( 0.000 0.913 0.000) 0.913 13.546 ( 0.000 -0.268 0.000) 0.268 13.603 ( 0.000 0.421 0.000) 0.421 13.663 ( 0.000 -0.522 0.000) 0.522 13.729 ( 0.000 3.367 0.000) 3.367 13.909 ( 0.000 -4.280 0.000) 4.280 13.926 ( 0.000 -4.697 0.000) 4.697 13.976 ( 0.000 -0.921 0.000) 0.921 14.656 ( 0.000 1.835 0.000) 1.835 14.865 ( 0.000 -1.500 0.000) 1.500 15.324 ( 0.000 2.194 0.000) 2.194 15.614 ( 0.000 0.844 0.000) 0.844 15.643 ( 0.000 -3.054 0.000) 3.054 15.727 ( 0.000 1.406 0.000) 1.406 15.762 ( 0.000 -1.960 0.000) 1.960 15.831 ( 0.000 3.270 0.000) 3.270 15.963 ( 0.000 -2.637 0.000) 2.637 16.138 ( 0.000 -1.191 0.000) 1.191 16.141 ( 0.000 2.554 0.000) 2.554 16.325 ( 0.000 -0.849 0.000) 0.849 18.147 ( 0.000 2.568 0.000) 2.568 18.274 ( 0.000 0.356 0.000) 0.356 18.585 ( 0.000 5.504 0.000) 5.504 19.385 ( 0.000 -7.395 0.000) 7.395 19.737 ( 0.000 0.483 0.000) 0.483 19.814 ( 0.000 -0.784 0.000) 0.784 20.199 ( 0.000 0.525 0.000) 0.525 20.256 ( 0.000 -1.019 0.000) 1.019 20.262 ( 0.000 -0.478 0.000) 0.478 20.269 ( 0.000 -1.714 0.000) 1.714 21.605 ( 0.000 6.132 0.000) 6.132 22.437 ( 0.000 -10.469 0.000) 10.469 23.378 ( 0.000 8.082 0.000) 8.082 23.399 ( 0.000 2.734 0.000) 2.734 23.728 ( 0.000 -4.003 0.000) 4.003 23.851 ( 0.000 -0.638 0.000) 0.638 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 17.832 21.300 0.000) 27.778 0.904 ( 28.595 15.535 0.000) 32.542 1.530 ( 26.826 43.786 0.000) 51.350 1.628 ( 3.159 -3.335 0.000) 4.594 1.899 ( -3.461 -0.107 0.000) 3.463 2.062 ( 3.087 -1.213 0.000) 3.317 2.079 ( 6.924 -0.043 0.000) 6.925 2.165 ( 13.352 3.547 0.000) 13.815 2.417 ( 0.699 -1.636 0.000) 1.779 2.846 ( -11.836 3.213 0.000) 12.264 2.892 ( -9.573 -3.193 0.000) 10.092 2.901 ( 2.297 -10.548 0.000) 10.795 3.019 ( -5.641 10.046 0.000) 11.521 3.052 ( -5.033 3.516 0.000) 6.139 3.342 ( -1.380 10.157 0.000) 10.250 3.470 ( 0.305 -11.230 0.000) 11.234 3.488 ( -3.321 4.249 0.000) 5.393 3.522 ( 6.956 2.872 0.000) 7.525 3.775 ( -6.873 4.364 0.000) 8.141 3.797 ( -4.267 -0.967 0.000) 4.375 3.821 ( -2.430 1.236 0.000) 2.726 3.937 ( -1.432 -0.225 0.000) 1.450 3.943 ( 3.174 2.839 0.000) 4.259 3.999 ( 1.574 -2.594 0.000) 3.034 4.210 ( -0.662 5.956 0.000) 5.993 4.397 ( -5.818 -0.584 0.000) 5.847 4.569 ( -1.670 3.406 0.000) 3.793 4.670 ( 3.167 0.939 0.000) 3.303 4.739 ( -1.564 -1.385 0.000) 2.089 4.743 ( 1.370 0.049 0.000) 1.371 4.939 ( -0.192 -7.126 0.000) 7.129 5.038 ( 4.152 -4.622 0.000) 6.212 5.558 ( -0.631 6.354 0.000) 6.385 5.837 ( -4.664 8.848 0.000) 10.002 5.916 ( -10.663 3.493 0.000) 11.221 5.936 ( -2.830 -1.389 0.000) 3.153 6.112 ( 0.429 1.157 0.000) 1.234 6.324 ( 8.169 -6.570 0.000) 10.484 6.497 ( -2.638 -6.556 0.000) 7.067 6.751 ( 2.996 -0.131 0.000) 2.999 6.866 ( 11.918 -9.271 0.000) 15.099 7.250 ( -9.265 -12.189 0.000) 15.310 7.343 ( -8.647 3.115 0.000) 9.190 7.460 ( 3.212 2.022 0.000) 3.796 7.740 ( 5.046 -3.567 0.000) 6.180 7.834 ( -13.785 1.525 0.000) 13.869 7.998 ( -4.907 -5.992 0.000) 7.744 8.078 ( -6.837 1.946 0.000) 7.109 8.290 ( 3.799 -1.944 0.000) 4.268 8.435 ( 2.319 3.288 0.000) 4.024 8.501 ( 2.870 -3.090 0.000) 4.217 8.555 ( 5.185 -2.834 0.000) 5.909 8.895 ( -1.568 5.602 0.000) 5.817 9.154 ( -8.490 0.200 0.000) 8.492 9.298 ( -0.463 4.927 0.000) 4.948 9.557 ( 0.575 6.692 0.000) 6.717 9.769 ( -2.407 3.285 0.000) 4.072 9.878 ( 5.104 4.586 0.000) 6.861 9.946 ( -3.281 -0.850 0.000) 3.389 10.035 ( 12.906 2.526 0.000) 13.151 10.210 ( -9.321 -5.596 0.000) 10.872 10.257 ( 1.628 -8.246 0.000) 8.405 10.404 ( 6.290 -1.469 0.000) 6.459 10.554 ( -8.007 1.094 0.000) 8.082 10.599 ( 0.750 8.567 0.000) 8.600 10.771 ( -5.200 -1.097 0.000) 5.314 10.788 ( -2.917 -2.582 0.000) 3.895 10.826 ( 12.619 3.837 0.000) 13.189 11.035 ( 9.821 -11.827 0.000) 15.372 11.223 ( 8.340 -1.111 0.000) 8.414 11.410 ( -2.852 -3.792 0.000) 4.745 11.533 ( 1.011 -1.028 0.000) 1.442 11.535 ( 7.177 -7.217 0.000) 10.178 11.888 ( -4.005 -9.210 0.000) 10.043 12.007 ( 0.257 0.247 0.000) 0.356 12.068 ( 7.220 -0.223 0.000) 7.224 12.437 ( -2.990 5.670 0.000) 6.410 12.495 ( -0.734 -1.115 0.000) 1.335 12.512 ( -0.312 -0.186 0.000) 0.363 12.755 ( -4.319 2.035 0.000) 4.775 12.861 ( 6.814 3.795 0.000) 7.799 13.142 ( 1.273 6.709 0.000) 6.829 13.207 ( 3.197 -1.706 0.000) 3.624 13.249 ( -0.221 5.801 0.000) 5.805 13.491 ( 0.443 0.739 0.000) 0.862 13.541 ( -0.634 -0.265 0.000) 0.687 13.557 ( -4.369 0.635 0.000) 4.415 13.665 ( -4.084 6.672 0.000) 7.823 13.668 ( 0.581 -0.698 0.000) 0.909 13.862 ( -4.251 -4.995 0.000) 6.559 13.897 ( -2.860 -4.433 0.000) 5.276 13.950 ( -2.836 -0.278 0.000) 2.850 14.655 ( 0.135 1.718 0.000) 1.724 14.835 ( -2.829 -1.059 0.000) 3.021 15.072 ( -13.676 16.283 0.000) 21.265 15.278 ( -6.220 1.944 0.000) 6.517 15.620 ( 0.645 0.806 0.000) 1.032 15.750 ( -1.160 -1.578 0.000) 1.958 15.832 ( 0.635 2.032 0.000) 2.128 15.942 ( 0.882 -1.687 0.000) 1.904 16.033 ( 5.115 -3.181 0.000) 6.023 16.100 ( -1.262 -0.134 0.000) 1.269 16.165 ( 2.352 2.094 0.000) 3.150 16.322 ( -0.328 -0.722 0.000) 0.793 18.220 ( 7.157 3.424 0.000) 7.934 18.563 ( 3.670 4.838 0.000) 6.072 19.158 ( 25.787 -34.911 0.000) 43.402 19.487 ( 14.307 -18.175 0.000) 23.131 19.744 ( 0.752 0.460 0.000) 0.882 19.812 ( -0.234 -0.632 0.000) 0.674 20.201 ( 0.228 0.394 0.000) 0.455 20.247 ( 6.784 -1.816 0.000) 7.023 20.256 ( -0.567 -0.469 0.000) 0.736 20.412 ( 9.929 -2.859 0.000) 10.332 21.517 ( -8.806 5.421 0.000) 10.340 22.014 ( -29.179 9.990 0.000) 30.842 23.380 ( 0.353 6.449 0.000) 6.459 23.392 ( 0.795 4.824 0.000) 4.889 23.763 ( 1.688 -5.654 0.000) 5.901 23.857 ( -0.029 -1.354 0.000) 1.354 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 26.941 5.196 0.000) 27.437 1.471 ( 27.789 5.683 0.000) 28.364 1.704 ( 4.288 -2.462 0.000) 4.944 1.842 ( -2.652 -0.517 0.000) 2.702 1.953 ( 14.954 20.574 0.000) 25.435 2.073 ( -2.812 -2.835 0.000) 3.993 2.137 ( -3.757 -2.556 0.000) 4.544 2.454 ( 3.675 1.717 0.000) 4.056 2.491 ( 7.078 7.159 0.000) 10.067 2.611 ( -9.519 6.332 0.000) 11.433 2.754 ( 3.120 -2.628 0.000) 4.079 2.831 ( -12.232 9.215 0.000) 15.315 2.973 ( 2.242 8.019 0.000) 8.327 2.988 ( 5.507 -6.564 0.000) 8.568 3.269 ( -6.443 4.559 0.000) 7.893 3.447 ( -3.115 -8.984 0.000) 9.509 3.463 ( 1.581 5.188 0.000) 5.423 3.662 ( -1.535 7.572 0.000) 7.726 3.668 ( -7.744 1.475 0.000) 7.884 3.728 ( 8.266 -2.860 0.000) 8.747 3.774 ( -2.307 4.006 0.000) 4.623 3.946 ( 1.840 0.505 0.000) 1.908 3.990 ( 1.257 -2.873 0.000) 3.136 4.015 ( -0.315 -1.683 0.000) 1.712 4.211 ( 0.172 7.400 0.000) 7.402 4.273 ( -5.210 -3.732 0.000) 6.409 4.446 ( -5.602 1.094 0.000) 5.708 4.732 ( -9.962 -0.070 0.000) 9.962 4.736 ( 3.308 -0.588 0.000) 3.360 4.775 ( 1.535 0.132 0.000) 1.541 5.057 ( 13.469 -7.575 0.000) 15.453 5.165 ( 7.749 -3.164 0.000) 8.370 5.562 ( 1.433 7.084 0.000) 7.228 5.728 ( -6.121 8.050 0.000) 10.113 5.746 ( -4.875 -0.565 0.000) 4.908 5.847 ( -6.191 -2.544 0.000) 6.693 6.081 ( -1.915 2.067 0.000) 2.817 6.336 ( -11.790 -2.599 0.000) 12.073 6.527 ( 12.255 -7.818 0.000) 14.537 6.836 ( 5.486 0.470 0.000) 5.506 6.986 ( 1.391 -5.820 0.000) 5.984 7.033 ( -12.694 -11.820 0.000) 17.345 7.205 ( -3.969 4.616 0.000) 6.088 7.482 ( -16.846 6.174 0.000) 17.941 7.538 ( 5.262 2.764 0.000) 5.944 7.851 ( -9.462 -1.336 0.000) 9.556 7.860 ( 6.243 -4.181 0.000) 7.514 8.039 ( -1.755 -1.599 0.000) 2.374 8.372 ( 4.270 -1.090 0.000) 4.407 8.505 ( -2.293 -2.205 0.000) 3.181 8.524 ( 6.070 -0.398 0.000) 6.083 8.644 ( 2.863 -4.697 0.000) 5.501 8.858 ( -1.103 5.580 0.000) 5.688 9.017 ( -5.908 4.868 0.000) 7.655 9.401 ( 9.976 -4.930 0.000) 11.128 9.600 ( 3.551 3.864 0.000) 5.248 9.756 ( 2.539 1.621 0.000) 3.012 9.850 ( -4.676 -1.559 0.000) 4.929 9.937 ( -9.684 -7.054 0.000) 11.980 10.085 ( 5.886 10.694 0.000) 12.206 10.111 ( -10.588 -4.481 0.000) 11.497 10.336 ( 11.500 -6.932 0.000) 13.428 10.399 ( -5.317 8.299 0.000) 9.856 10.508 ( 3.116 0.223 0.000) 3.124 10.652 ( -6.052 -2.010 0.000) 6.377 10.728 ( -4.124 -2.150 0.000) 4.651 10.755 ( 12.534 0.204 0.000) 12.535 11.033 ( 8.404 3.143 0.000) 8.972 11.152 ( 1.232 -8.202 0.000) 8.294 11.292 ( -7.919 -1.167 0.000) 8.004 11.403 ( 9.673 1.657 0.000) 9.814 11.589 ( 4.722 -0.102 0.000) 4.723 11.635 ( 1.338 -2.413 0.000) 2.759 11.800 ( -4.815 -7.148 0.000) 8.619 12.042 ( 4.429 1.947 0.000) 4.838 12.229 ( 6.569 -1.709 0.000) 6.788 12.364 ( -2.565 4.942 0.000) 5.568 12.487 ( 0.314 -1.440 0.000) 1.474 12.511 ( -0.151 -0.713 0.000) 0.729 12.637 ( -7.620 1.615 0.000) 7.789 13.008 ( 7.700 3.229 0.000) 8.349 13.189 ( 3.834 4.681 0.000) 6.051 13.208 ( -2.423 4.683 0.000) 5.273 13.321 ( 6.568 -1.709 0.000) 6.786 13.434 ( -7.320 1.143 0.000) 7.409 13.505 ( 0.687 0.500 0.000) 0.850 13.532 ( -0.633 -0.221 0.000) 0.670 13.591 ( -4.623 3.492 0.000) 5.794 13.692 ( 2.035 -1.235 0.000) 2.380 13.779 ( -3.036 -3.730 0.000) 4.810 13.826 ( -4.186 -3.549 0.000) 5.488 13.871 ( -4.966 0.347 0.000) 4.978 14.669 ( 1.410 1.302 0.000) 1.919 14.770 ( -3.528 -0.055 0.000) 3.528 14.979 ( 0.673 7.338 0.000) 7.369 15.151 ( -6.547 1.595 0.000) 6.738 15.641 ( 1.577 0.568 0.000) 1.676 15.719 ( -1.996 -0.765 0.000) 2.137 15.855 ( 1.755 1.382 0.000) 2.234 15.931 ( -1.547 0.924 0.000) 1.802 16.085 ( 1.033 -1.988 0.000) 2.241 16.103 ( 0.779 -1.636 0.000) 1.812 16.221 ( 3.092 1.156 0.000) 3.301 16.309 ( -1.180 -0.344 0.000) 1.230 18.390 ( 9.453 4.760 0.000) 10.584 18.606 ( 0.095 5.248 0.000) 5.249 19.347 ( 5.945 -13.548 0.000) 14.795 19.614 ( -3.345 -17.781 0.000) 18.093 19.764 ( 1.179 0.359 0.000) 1.232 19.804 ( -0.668 -0.265 0.000) 0.719 20.209 ( 0.587 0.079 0.000) 0.592 20.242 ( -0.919 -0.410 0.000) 1.006 20.535 ( 18.344 -5.339 0.000) 19.105 20.646 ( 14.149 -4.383 0.000) 14.812 21.292 ( -13.333 3.748 0.000) 13.850 21.517 ( -22.601 6.989 0.000) 23.657 23.398 ( 1.149 4.592 0.000) 4.733 23.410 ( 0.763 5.089 0.000) 5.146 23.791 ( 1.394 -4.358 0.000) 4.576 23.845 ( -1.132 -1.899 0.000) 2.211 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -24.313 0.901 0.000) 24.329 1.766 ( 24.313 0.901 0.000) 24.329 1.776 ( -2.849 -2.232 0.000) 3.619 1.776 ( 2.849 -2.232 0.000) 3.619 1.912 ( -14.789 -0.268 0.000) 14.792 1.912 ( 14.789 -0.268 0.000) 14.792 2.291 ( -14.654 6.240 0.000) 15.928 2.291 ( 14.654 6.240 0.000) 15.928 2.587 ( -10.755 6.509 0.000) 12.571 2.587 ( 10.755 6.509 0.000) 12.571 2.687 ( -8.429 4.619 0.000) 9.611 2.687 ( 8.429 4.619 0.000) 9.611 3.123 ( -7.951 -1.088 0.000) 8.026 3.123 ( 7.951 -1.088 0.000) 8.026 3.287 ( -16.771 -0.999 0.000) 16.801 3.287 ( 16.771 -0.999 0.000) 16.801 3.536 ( -5.564 4.262 0.000) 7.009 3.536 ( 5.564 4.262 0.000) 7.009 3.650 ( -2.628 6.837 0.000) 7.325 3.650 ( 2.628 6.837 0.000) 7.325 3.948 ( -7.851 1.617 0.000) 8.016 3.948 ( 7.851 1.617 0.000) 8.016 3.988 ( -2.160 -0.504 0.000) 2.218 3.988 ( 2.160 -0.504 0.000) 2.218 4.212 ( -3.875 -4.964 0.000) 6.298 4.212 ( 3.875 -4.964 0.000) 6.298 4.488 ( -10.883 3.542 0.000) 11.445 4.488 ( 10.883 3.542 0.000) 11.445 4.782 ( -1.121 -0.595 0.000) 1.269 4.782 ( 1.121 -0.595 0.000) 1.269 5.242 ( -2.675 -5.647 0.000) 6.248 5.242 ( 2.675 -5.647 0.000) 6.248 5.620 ( -4.560 7.645 0.000) 8.902 5.620 ( 4.560 7.645 0.000) 8.902 5.741 ( -3.535 -3.616 0.000) 5.056 5.741 ( 3.535 -3.616 0.000) 5.056 6.123 ( -7.797 0.885 0.000) 7.847 6.123 ( 7.797 0.885 0.000) 7.847 6.778 ( -13.473 -9.855 0.000) 16.692 6.778 ( 13.473 -9.855 0.000) 16.692 6.942 ( -4.905 -1.637 0.000) 5.171 6.942 ( 4.905 -1.637 0.000) 5.171 7.241 ( -7.676 5.619 0.000) 9.512 7.241 ( 7.676 5.619 0.000) 9.512 7.671 ( -8.505 1.598 0.000) 8.654 7.671 ( 8.505 1.598 0.000) 8.654 7.972 ( -5.033 -3.099 0.000) 5.910 7.972 ( 5.033 -3.099 0.000) 5.910 8.446 ( -3.434 -0.830 0.000) 3.532 8.446 ( 3.434 -0.830 0.000) 3.532 8.628 ( -3.989 -4.654 0.000) 6.129 8.628 ( 3.989 -4.654 0.000) 6.129 8.905 ( -5.402 7.374 0.000) 9.141 8.905 ( 5.402 7.374 0.000) 9.141 9.610 ( -8.038 -7.747 0.000) 11.163 9.610 ( 8.038 -7.747 0.000) 11.163 9.773 ( -1.030 -0.642 0.000) 1.213 9.773 ( 1.030 -0.642 0.000) 1.213 9.885 ( -10.412 -2.066 0.000) 10.615 9.885 ( 10.412 -2.066 0.000) 10.615 10.255 ( -9.062 12.780 0.000) 15.667 10.255 ( 9.062 12.780 0.000) 15.667 10.517 ( -6.464 -8.314 0.000) 10.531 10.517 ( 6.464 -8.314 0.000) 10.531 10.626 ( -5.766 1.547 0.000) 5.970 10.626 ( 5.766 1.547 0.000) 5.970 11.001 ( -11.879 -3.693 0.000) 12.440 11.001 ( 11.879 -3.693 0.000) 12.440 11.182 ( -4.953 0.892 0.000) 5.032 11.182 ( 4.953 0.892 0.000) 5.032 11.571 ( -7.021 1.373 0.000) 7.154 11.571 ( 7.021 1.373 0.000) 7.154 11.698 ( -5.843 -3.684 0.000) 6.907 11.698 ( 5.843 -3.684 0.000) 6.907 12.171 ( -7.657 2.592 0.000) 8.084 12.171 ( 7.657 2.592 0.000) 8.084 12.473 ( -9.106 0.443 0.000) 9.117 12.473 ( 9.106 0.443 0.000) 9.117 12.501 ( -0.829 -1.226 0.000) 1.480 12.501 ( 0.829 -1.226 0.000) 1.480 13.135 ( -5.194 3.869 0.000) 6.476 13.135 ( 5.194 3.869 0.000) 6.476 13.293 ( -6.774 2.581 0.000) 7.248 13.293 ( 6.774 2.581 0.000) 7.248 13.465 ( -7.843 -1.074 0.000) 7.916 13.465 ( 7.843 -1.074 0.000) 7.916 13.519 ( -0.740 0.052 0.000) 0.742 13.519 ( 0.740 0.052 0.000) 0.742 13.748 ( -3.657 -2.278 0.000) 4.308 13.748 ( 3.657 -2.278 0.000) 4.308 13.784 ( -3.237 -0.275 0.000) 3.249 13.784 ( 3.237 -0.275 0.000) 3.249 14.709 ( -2.707 0.824 0.000) 2.829 14.709 ( 2.707 0.824 0.000) 2.829 15.039 ( -4.834 3.110 0.000) 5.748 15.039 ( 4.834 3.110 0.000) 5.748 15.678 ( -2.145 0.023 0.000) 2.145 15.678 ( 2.145 0.023 0.000) 2.145 15.894 ( -2.090 1.270 0.000) 2.446 15.894 ( 2.090 1.270 0.000) 2.446 16.103 ( -0.723 -1.858 0.000) 1.994 16.103 ( 0.723 -1.858 0.000) 1.994 16.275 ( -2.368 0.287 0.000) 2.386 16.275 ( 2.368 0.287 0.000) 2.386 18.547 ( -6.094 5.178 0.000) 7.997 18.547 ( 6.094 5.178 0.000) 7.997 19.485 ( -8.037 -12.265 0.000) 14.664 19.485 ( 8.037 -12.265 0.000) 14.664 19.787 ( -1.108 0.116 0.000) 1.114 19.787 ( 1.108 0.116 0.000) 1.114 20.223 ( -0.908 -0.232 0.000) 0.937 20.223 ( 0.908 -0.232 0.000) 0.937 20.815 ( -5.917 -2.339 0.000) 6.362 20.815 ( 5.917 -2.339 0.000) 6.362 21.166 ( -9.203 1.763 0.000) 9.371 21.166 ( 9.203 1.763 0.000) 9.371 23.414 ( -0.343 4.528 0.000) 4.541 23.414 ( 0.343 4.528 0.000) 4.541 23.819 ( -1.484 -2.966 0.000) 3.316 23.819 ( 1.484 -2.966 0.000) 3.316 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 20.922 0.000) 20.922 1.260 ( 0.000 29.466 0.000) 29.466 1.494 ( 0.000 -7.048 0.000) 7.048 1.964 ( 0.000 -6.863 0.000) 6.863 1.990 ( 0.000 1.033 0.000) 1.033 1.993 ( 0.000 1.809 0.000) 1.809 2.127 ( 0.000 10.153 0.000) 10.153 2.214 ( 0.000 45.017 0.000) 45.017 2.370 ( 0.000 -0.982 0.000) 0.982 2.629 ( 0.000 -13.306 0.000) 13.306 2.759 ( 0.000 -13.677 0.000) 13.677 3.079 ( 0.000 7.541 0.000) 7.541 3.257 ( 0.000 10.846 0.000) 10.846 3.276 ( 0.000 -12.057 0.000) 12.057 3.338 ( 0.000 16.111 0.000) 16.111 3.476 ( 0.000 -1.720 0.000) 1.720 3.550 ( 0.000 9.400 0.000) 9.400 3.644 ( 0.000 6.352 0.000) 6.352 3.650 ( 0.000 -9.770 0.000) 9.770 3.807 ( 0.000 -2.001 0.000) 2.001 3.863 ( 0.000 -8.714 0.000) 8.714 3.902 ( 0.000 -4.932 0.000) 4.932 3.944 ( 0.000 6.040 0.000) 6.040 4.131 ( 0.000 2.098 0.000) 2.098 4.302 ( 0.000 8.567 0.000) 8.567 4.537 ( 0.000 3.104 0.000) 3.104 4.569 ( 0.000 2.985 0.000) 2.985 4.679 ( 0.000 -9.800 0.000) 9.800 4.682 ( 0.000 2.480 0.000) 2.480 4.725 ( 0.000 -0.194 0.000) 0.194 4.822 ( 0.000 -11.886 0.000) 11.886 4.897 ( 0.000 -11.311 0.000) 11.311 5.716 ( 0.000 9.259 0.000) 9.259 5.920 ( 0.000 -1.618 0.000) 1.618 5.942 ( 0.000 -3.515 0.000) 3.515 6.085 ( 0.000 -9.574 0.000) 9.574 6.151 ( 0.000 18.433 0.000) 18.433 6.187 ( 0.000 6.455 0.000) 6.455 6.375 ( 0.000 -0.800 0.000) 0.800 6.699 ( 0.000 0.848 0.000) 0.848 6.732 ( 0.000 -0.523 0.000) 0.523 7.002 ( 0.000 -23.010 0.000) 23.010 7.502 ( 0.000 3.152 0.000) 3.152 7.515 ( 0.000 7.503 0.000) 7.503 7.616 ( 0.000 -3.002 0.000) 3.002 7.867 ( 0.000 -9.735 0.000) 9.735 7.962 ( 0.000 4.837 0.000) 4.837 8.187 ( 0.000 -3.752 0.000) 3.752 8.215 ( 0.000 -2.582 0.000) 2.582 8.329 ( 0.000 -9.078 0.000) 9.078 8.471 ( 0.000 1.479 0.000) 1.479 8.487 ( 0.000 -0.079 0.000) 0.079 9.021 ( 0.000 6.214 0.000) 6.214 9.216 ( 0.000 -3.836 0.000) 3.836 9.499 ( 0.000 9.375 0.000) 9.375 9.755 ( 0.000 10.659 0.000) 10.659 9.815 ( 0.000 3.661 0.000) 3.661 9.872 ( 0.000 -4.163 0.000) 4.163 9.956 ( 0.000 2.808 0.000) 2.808 10.062 ( 0.000 -8.658 0.000) 8.658 10.124 ( 0.000 13.380 0.000) 13.380 10.212 ( 0.000 -7.327 0.000) 7.327 10.255 ( 0.000 -1.009 0.000) 1.009 10.592 ( 0.000 -8.847 0.000) 8.847 10.691 ( 0.000 2.337 0.000) 2.337 10.809 ( 0.000 2.150 0.000) 2.150 10.833 ( 0.000 -2.493 0.000) 2.493 10.836 ( 0.000 13.689 0.000) 13.689 10.847 ( 0.000 -0.263 0.000) 0.263 11.069 ( 0.000 -1.519 0.000) 1.519 11.239 ( 0.000 -10.075 0.000) 10.075 11.279 ( 0.000 -7.563 0.000) 7.563 11.444 ( 0.000 -3.780 0.000) 3.780 11.711 ( 0.000 -12.934 0.000) 12.934 12.005 ( 0.000 0.429 0.000) 0.429 12.007 ( 0.000 -0.085 0.000) 0.085 12.492 ( 0.000 -0.170 0.000) 0.170 12.510 ( 0.000 -0.900 0.000) 0.900 12.591 ( 0.000 7.029 0.000) 7.029 12.789 ( 0.000 -2.558 0.000) 2.558 12.908 ( 0.000 6.960 0.000) 6.960 13.114 ( 0.000 -3.814 0.000) 3.814 13.336 ( 0.000 12.957 0.000) 12.957 13.420 ( 0.000 10.132 0.000) 10.132 13.509 ( 0.000 1.393 0.000) 1.393 13.538 ( 0.000 -0.563 0.000) 0.563 13.613 ( 0.000 0.532 0.000) 0.532 13.650 ( 0.000 -0.798 0.000) 0.798 13.776 ( 0.000 -4.599 0.000) 4.599 13.797 ( 0.000 -8.881 0.000) 8.881 13.823 ( 0.000 1.075 0.000) 1.075 13.947 ( 0.000 -2.268 0.000) 2.268 14.704 ( 0.000 3.135 0.000) 3.135 14.825 ( 0.000 -2.716 0.000) 2.716 15.383 ( 0.000 4.052 0.000) 4.052 15.566 ( 0.000 -4.878 0.000) 4.878 15.637 ( 0.000 1.608 0.000) 1.608 15.718 ( 0.000 -2.497 0.000) 2.497 15.766 ( 0.000 2.757 0.000) 2.757 15.900 ( 0.000 -3.836 0.000) 3.836 15.913 ( 0.000 5.210 0.000) 5.210 16.095 ( 0.000 -3.403 0.000) 3.403 16.198 ( 0.000 3.306 0.000) 3.306 16.300 ( 0.000 -1.827 0.000) 1.827 18.206 ( 0.000 3.319 0.000) 3.319 18.277 ( 0.000 -0.261 0.000) 0.261 18.734 ( 0.000 10.200 0.000) 10.200 19.196 ( 0.000 -12.177 0.000) 12.177 19.750 ( 0.000 0.935 0.000) 0.935 19.795 ( 0.000 -1.235 0.000) 1.235 20.213 ( 0.000 0.906 0.000) 0.906 20.234 ( 0.000 -1.088 0.000) 1.088 20.237 ( 0.000 -1.439 0.000) 1.439 20.249 ( 0.000 -0.860 0.000) 0.860 21.760 ( 0.000 10.092 0.000) 10.092 22.210 ( 0.000 -12.980 0.000) 12.980 23.455 ( 0.000 3.991 0.000) 3.991 23.557 ( 0.000 9.375 0.000) 9.375 23.639 ( 0.000 -5.203 0.000) 5.203 23.812 ( 0.000 -3.649 0.000) 3.649 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 17.318 14.765 0.000) 22.758 1.271 ( 3.727 26.015 0.000) 26.280 1.545 ( 4.854 -5.380 0.000) 7.246 1.918 ( -3.654 2.472 0.000) 4.411 1.975 ( 1.525 -9.016 0.000) 9.144 2.035 ( 0.502 -1.784 0.000) 1.853 2.170 ( 5.021 15.085 0.000) 15.899 2.406 ( 3.931 1.245 0.000) 4.123 2.468 ( 19.887 27.458 0.000) 33.903 2.685 ( 5.725 -11.814 0.000) 13.128 2.753 ( -2.843 -7.422 0.000) 7.948 2.952 ( -10.186 8.084 0.000) 13.004 3.138 ( -6.680 1.808 0.000) 6.921 3.256 ( -8.284 13.833 0.000) 16.124 3.321 ( 2.715 0.382 0.000) 2.742 3.511 ( -7.109 5.926 0.000) 9.255 3.559 ( 6.513 -1.174 0.000) 6.618 3.578 ( -1.856 5.304 0.000) 5.619 3.652 ( 1.921 -9.043 0.000) 9.245 3.772 ( -3.201 -1.750 0.000) 3.648 3.912 ( 2.571 -3.319 0.000) 4.198 3.927 ( 2.711 -3.745 0.000) 4.623 3.957 ( -1.681 6.726 0.000) 6.933 4.103 ( -8.614 11.426 0.000) 14.310 4.270 ( 2.679 -1.535 0.000) 3.088 4.428 ( -7.478 2.191 0.000) 7.792 4.581 ( -9.615 -5.959 0.000) 11.312 4.623 ( 6.252 -2.692 0.000) 6.807 4.696 ( 1.482 1.799 0.000) 2.331 4.742 ( 1.562 -0.243 0.000) 1.581 4.791 ( -3.002 -7.513 0.000) 8.091 4.909 ( 7.527 -8.368 0.000) 11.256 5.718 ( 0.482 10.196 0.000) 10.208 5.905 ( -2.814 -1.395 0.000) 3.141 5.934 ( -7.527 -1.788 0.000) 7.737 6.045 ( -4.597 7.013 0.000) 8.385 6.167 ( -0.614 5.002 0.000) 5.040 6.200 ( 5.613 -0.041 0.000) 5.613 6.378 ( -1.986 -5.543 0.000) 5.888 6.755 ( 4.567 0.701 0.000) 4.621 6.795 ( 6.836 -1.291 0.000) 6.956 6.919 ( -7.770 -21.500 0.000) 22.861 7.417 ( -6.994 4.920 0.000) 8.551 7.548 ( 2.894 6.789 0.000) 7.380 7.641 ( 1.300 -6.217 0.000) 6.352 7.862 ( -1.198 -8.252 0.000) 8.339 7.874 ( -9.011 3.307 0.000) 9.599 8.061 ( -6.823 -3.690 0.000) 7.757 8.266 ( 5.219 0.123 0.000) 5.220 8.405 ( 3.718 -6.212 0.000) 7.239 8.481 ( 1.306 1.362 0.000) 1.887 8.513 ( 2.651 -1.509 0.000) 3.050 9.010 ( -1.603 6.228 0.000) 6.431 9.152 ( -4.762 -0.718 0.000) 4.816 9.424 ( -5.637 8.431 0.000) 10.142 9.670 ( -4.338 2.956 0.000) 5.249 9.842 ( 0.215 3.839 0.000) 3.845 9.883 ( -3.981 -2.833 0.000) 4.886 9.983 ( 2.392 2.744 0.000) 3.640 10.040 ( 2.509 -5.424 0.000) 5.976 10.159 ( 1.429 1.952 0.000) 2.419 10.169 ( -0.003 3.493 0.000) 3.493 10.378 ( 7.446 -2.226 0.000) 7.771 10.494 ( -7.248 -7.454 0.000) 10.397 10.732 ( 1.196 4.753 0.000) 4.901 10.746 ( -5.952 -0.570 0.000) 5.979 10.769 ( -3.206 0.088 0.000) 3.208 10.871 ( 8.139 -3.691 0.000) 8.936 10.972 ( 8.393 8.606 0.000) 12.021 11.220 ( 11.767 1.152 0.000) 11.824 11.354 ( 3.683 -1.274 0.000) 3.897 11.389 ( 11.636 -7.516 0.000) 13.852 11.421 ( -0.082 -8.569 0.000) 8.570 11.680 ( -2.395 -12.146 0.000) 12.380 12.018 ( 1.759 0.937 0.000) 1.993 12.057 ( 5.006 -0.870 0.000) 5.081 12.477 ( -1.333 -0.521 0.000) 1.431 12.498 ( -0.735 -1.158 0.000) 1.372 12.562 ( -3.034 7.022 0.000) 7.649 12.755 ( -3.720 -2.171 0.000) 4.307 12.962 ( 5.190 6.166 0.000) 8.060 13.154 ( 3.981 -3.655 0.000) 5.404 13.324 ( -1.047 11.667 0.000) 11.714 13.399 ( -2.131 9.350 0.000) 9.589 13.508 ( -0.086 0.998 0.000) 1.002 13.534 ( -0.438 -0.530 0.000) 0.688 13.571 ( -4.081 0.678 0.000) 4.137 13.651 ( 0.204 -1.031 0.000) 1.051 13.742 ( -4.657 -7.687 0.000) 8.988 13.778 ( -1.830 -7.961 0.000) 8.169 13.778 ( -2.636 5.369 0.000) 5.982 13.926 ( -2.335 -2.248 0.000) 3.241 14.700 ( -0.226 2.925 0.000) 2.934 14.805 ( -1.864 -2.140 0.000) 2.839 15.274 ( -11.770 5.909 0.000) 13.170 15.324 ( -9.482 2.405 0.000) 9.783 15.642 ( 0.473 1.500 0.000) 1.573 15.714 ( -0.448 -2.145 0.000) 2.191 15.870 ( 0.161 1.364 0.000) 1.373 15.902 ( 4.625 -2.145 0.000) 5.098 15.997 ( 4.422 0.001 0.000) 4.422 16.082 ( -1.112 -1.934 0.000) 2.231 16.213 ( 1.463 2.818 0.000) 3.175 16.301 ( 0.040 -1.573 0.000) 1.573 18.308 ( 9.638 5.734 0.000) 11.215 18.601 ( 20.880 -8.095 0.000) 22.394 18.784 ( 6.922 2.410 0.000) 7.330 19.227 ( 3.125 -13.642 0.000) 13.996 19.757 ( 0.658 0.863 0.000) 1.086 19.796 ( 0.109 -1.040 0.000) 1.045 20.212 ( -0.067 0.740 0.000) 0.743 20.244 ( -0.511 -0.812 0.000) 0.959 20.252 ( 5.948 1.471 0.000) 6.127 20.353 ( 9.010 -3.386 0.000) 9.625 21.653 ( -10.697 8.700 0.000) 13.788 21.997 ( -19.646 -7.212 0.000) 20.928 23.463 ( 0.922 4.521 0.000) 4.614 23.550 ( -0.467 9.051 0.000) 9.063 23.658 ( 1.675 -5.573 0.000) 5.819 23.807 ( -0.679 -4.097 0.000) 4.153 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 15.732 15.110 0.000) 21.813 1.569 ( 17.216 3.746 0.000) 17.619 1.654 ( 5.812 -2.511 0.000) 6.331 1.859 ( -2.068 2.862 0.000) 3.531 2.009 ( -3.184 -3.769 0.000) 4.934 2.017 ( 0.686 -10.594 0.000) 10.617 2.227 ( -0.961 9.735 0.000) 9.782 2.523 ( 8.430 5.819 0.000) 10.243 2.571 ( -13.840 -3.948 0.000) 14.392 2.730 ( 3.605 7.033 0.000) 7.903 2.836 ( 1.227 7.243 0.000) 7.346 2.841 ( 9.891 -8.922 0.000) 13.320 3.036 ( -13.673 11.613 0.000) 17.938 3.170 ( 7.866 12.469 0.000) 14.743 3.314 ( -11.865 -0.758 0.000) 11.889 3.338 ( -2.436 -0.275 0.000) 2.452 3.581 ( 1.355 6.709 0.000) 6.845 3.677 ( 10.751 -0.131 0.000) 10.752 3.698 ( -4.090 1.307 0.000) 4.294 3.787 ( 5.420 0.355 0.000) 5.431 3.863 ( 1.065 10.397 0.000) 10.452 3.949 ( 1.635 -0.434 0.000) 1.692 3.972 ( 1.222 -2.419 0.000) 2.710 4.008 ( -3.007 3.697 0.000) 4.766 4.199 ( -7.311 -3.668 0.000) 8.179 4.348 ( -6.085 2.033 0.000) 6.416 4.465 ( 0.452 3.808 0.000) 3.834 4.728 ( -5.948 0.186 0.000) 5.951 4.736 ( 2.336 0.618 0.000) 2.416 4.771 ( 1.057 -0.585 0.000) 1.208 4.835 ( 13.736 -14.063 0.000) 19.658 5.058 ( 6.244 -8.528 0.000) 10.570 5.734 ( -9.309 -0.594 0.000) 9.327 5.745 ( 2.504 11.843 0.000) 12.104 5.786 ( -8.595 -3.449 0.000) 9.261 5.932 ( -6.432 12.098 0.000) 13.701 6.135 ( -2.040 3.502 0.000) 4.052 6.273 ( -7.798 -3.801 0.000) 8.675 6.348 ( 9.257 -9.243 0.000) 13.081 6.740 ( -10.214 -18.503 0.000) 21.135 6.851 ( 4.904 1.174 0.000) 5.042 6.913 ( 3.608 -2.431 0.000) 4.351 7.307 ( -2.834 6.281 0.000) 6.891 7.534 ( -11.593 -2.013 0.000) 11.767 7.612 ( 3.787 4.922 0.000) 6.210 7.802 ( -4.874 -3.941 0.000) 6.268 7.806 ( 3.539 0.296 0.000) 3.551 7.978 ( -3.537 -4.912 0.000) 6.053 8.362 ( 4.409 0.356 0.000) 4.423 8.447 ( 0.617 -3.522 0.000) 3.576 8.524 ( 2.910 0.263 0.000) 2.922 8.574 ( 2.685 -2.649 0.000) 3.772 8.964 ( -1.444 5.407 0.000) 5.596 9.080 ( -3.347 1.272 0.000) 3.580 9.367 ( 0.626 1.416 0.000) 1.548 9.580 ( -6.146 -7.181 0.000) 9.452 9.813 ( -1.051 4.256 0.000) 4.384 9.828 ( 0.357 5.725 0.000) 5.736 9.949 ( -4.618 1.585 0.000) 4.882 10.062 ( -9.146 1.214 0.000) 9.226 10.159 ( 7.550 -11.109 0.000) 13.431 10.293 ( 9.740 10.432 0.000) 14.272 10.398 ( -3.908 -10.697 0.000) 11.388 10.491 ( 2.806 1.343 0.000) 3.111 10.663 ( -1.696 2.659 0.000) 3.154 10.719 ( -2.470 0.260 0.000) 2.483 10.788 ( 5.486 3.565 0.000) 6.542 11.002 ( 4.410 -7.443 0.000) 8.651 11.098 ( 2.560 3.855 0.000) 4.628 11.281 ( -6.364 -0.548 0.000) 6.387 11.446 ( 10.564 2.828 0.000) 10.936 11.524 ( 6.324 -5.142 0.000) 8.151 11.575 ( 5.915 -3.687 0.000) 6.970 11.653 ( -0.513 -7.717 0.000) 7.734 12.088 ( 5.885 2.761 0.000) 6.501 12.189 ( 7.752 -2.410 0.000) 8.118 12.461 ( -0.053 -1.022 0.000) 1.023 12.477 ( -5.194 6.427 0.000) 8.264 12.485 ( -0.622 -1.787 0.000) 1.893 12.643 ( -7.781 -1.371 0.000) 7.901 13.090 ( 7.581 5.118 0.000) 9.146 13.258 ( 6.142 -2.488 0.000) 6.626 13.314 ( 0.495 8.006 0.000) 8.022 13.342 ( -3.305 6.682 0.000) 7.455 13.460 ( -5.900 1.344 0.000) 6.051 13.514 ( -0.095 0.269 0.000) 0.286 13.525 ( -0.541 -0.594 0.000) 0.803 13.602 ( -8.848 -4.026 0.000) 9.721 13.664 ( 1.140 -1.541 0.000) 1.917 13.736 ( -2.332 -5.560 0.000) 6.029 13.754 ( -0.074 2.285 0.000) 2.286 13.859 ( -4.279 -1.570 0.000) 4.558 14.703 ( 0.671 2.125 0.000) 2.229 14.764 ( -2.181 -0.753 0.000) 2.307 15.112 ( -4.006 5.857 0.000) 7.096 15.182 ( -6.025 1.289 0.000) 6.161 15.656 ( 1.018 1.002 0.000) 1.429 15.700 ( -0.969 -1.179 0.000) 1.526 15.889 ( 1.678 2.051 0.000) 2.650 15.946 ( 0.293 0.284 0.000) 0.408 16.042 ( 0.733 -1.842 0.000) 1.982 16.069 ( -0.122 -1.886 0.000) 1.890 16.248 ( 1.922 1.631 0.000) 2.521 16.298 ( -0.468 -0.840 0.000) 0.962 18.520 ( 10.924 9.059 0.000) 14.192 18.749 ( 0.295 9.900 0.000) 9.904 19.030 ( 11.867 -17.726 0.000) 21.332 19.276 ( 0.110 -16.988 0.000) 16.989 19.773 ( 0.924 0.609 0.000) 1.106 19.797 ( -0.143 -0.517 0.000) 0.537 20.212 ( 0.143 0.296 0.000) 0.329 20.231 ( -0.735 -0.625 0.000) 0.965 20.489 ( 17.528 0.110 0.000) 17.529 20.578 ( 13.881 -3.467 0.000) 14.307 21.383 ( -15.864 5.573 0.000) 16.814 21.559 ( -23.728 -1.767 0.000) 23.793 23.489 ( 1.617 5.275 0.000) 5.518 23.540 ( -0.727 7.695 0.000) 7.729 23.697 ( 2.314 -5.415 0.000) 5.889 23.784 ( -1.734 -4.557 0.000) 4.876 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -1.741 -1.981 0.000) 2.638 1.733 ( 1.741 -1.981 0.000) 2.638 1.818 ( -18.789 4.277 0.000) 19.270 1.818 ( 18.789 4.277 0.000) 19.270 1.907 ( -7.092 -0.225 0.000) 7.095 1.907 ( 7.092 -0.225 0.000) 7.095 2.315 ( -11.065 -3.353 0.000) 11.562 2.315 ( 11.065 -3.353 0.000) 11.562 2.742 ( -13.996 9.154 0.000) 16.724 2.742 ( 13.996 9.154 0.000) 16.724 2.816 ( -4.655 7.170 0.000) 8.549 2.816 ( 4.655 7.170 0.000) 8.549 3.075 ( -12.396 -4.178 0.000) 13.081 3.075 ( 12.396 -4.178 0.000) 13.081 3.272 ( -3.320 -0.382 0.000) 3.341 3.272 ( 3.320 -0.382 0.000) 3.341 3.626 ( -3.191 4.544 0.000) 5.552 3.626 ( 3.191 4.544 0.000) 5.552 3.823 ( -1.257 9.174 0.000) 9.259 3.823 ( 1.257 9.174 0.000) 9.259 3.974 ( -0.827 -0.937 0.000) 1.250 3.974 ( 0.827 -0.937 0.000) 1.250 4.000 ( -4.002 1.919 0.000) 4.439 4.000 ( 4.002 1.919 0.000) 4.439 4.152 ( -10.341 1.868 0.000) 10.509 4.152 ( 10.341 1.868 0.000) 10.509 4.561 ( -8.570 4.832 0.000) 9.838 4.561 ( 8.570 4.832 0.000) 9.838 4.772 ( -1.088 -0.388 0.000) 1.155 4.772 ( 1.088 -0.388 0.000) 1.155 5.062 ( -7.195 -13.597 0.000) 15.383 5.062 ( 7.195 -13.597 0.000) 15.383 5.661 ( -2.123 -3.916 0.000) 4.455 5.661 ( 2.123 -3.916 0.000) 4.455 5.818 ( -5.033 12.637 0.000) 13.602 5.818 ( 5.033 12.637 0.000) 13.602 6.143 ( -3.971 1.029 0.000) 4.102 6.143 ( 3.971 1.029 0.000) 4.102 6.540 ( -10.344 -14.415 0.000) 17.742 6.540 ( 10.344 -14.415 0.000) 17.742 6.922 ( -2.135 -0.510 0.000) 2.195 6.922 ( 2.135 -0.510 0.000) 2.195 7.344 ( -6.633 4.714 0.000) 8.138 7.344 ( 6.633 4.714 0.000) 8.138 7.699 ( -5.216 1.093 0.000) 5.329 7.699 ( 5.216 1.093 0.000) 5.329 7.897 ( -4.888 -4.215 0.000) 6.455 7.897 ( 4.888 -4.215 0.000) 6.455 8.429 ( -2.395 -0.802 0.000) 2.526 8.429 ( 2.395 -0.802 0.000) 2.526 8.578 ( -2.112 -0.943 0.000) 2.313 8.578 ( 2.112 -0.943 0.000) 2.313 9.000 ( -4.401 2.371 0.000) 4.999 9.000 ( 4.401 2.371 0.000) 4.999 9.445 ( -6.670 -6.769 0.000) 9.503 9.445 ( 6.670 -6.769 0.000) 9.503 9.853 ( -4.403 5.468 0.000) 7.020 9.853 ( 4.403 5.468 0.000) 7.020 9.896 ( -6.715 4.342 0.000) 7.997 9.896 ( 6.715 4.342 0.000) 7.997 10.298 ( -6.461 -13.390 0.000) 14.867 10.298 ( 6.461 -13.390 0.000) 14.867 10.457 ( -6.012 8.098 0.000) 10.086 10.457 ( 6.012 8.098 0.000) 10.086 10.673 ( -2.000 2.365 0.000) 3.097 10.673 ( 2.000 2.365 0.000) 3.097 10.940 ( -8.755 -1.976 0.000) 8.976 10.940 ( 8.755 -1.976 0.000) 8.976 11.170 ( -5.480 -2.344 0.000) 5.960 11.170 ( 5.480 -2.344 0.000) 5.960 11.592 ( -3.899 0.679 0.000) 3.958 11.592 ( 3.899 0.679 0.000) 3.958 11.623 ( -3.403 -3.566 0.000) 4.929 11.623 ( 3.403 -3.566 0.000) 4.929 12.226 ( -6.203 2.707 0.000) 6.768 12.226 ( 6.203 2.707 0.000) 6.768 12.471 ( -0.821 -1.679 0.000) 1.869 12.471 ( 0.821 -1.679 0.000) 1.869 12.479 ( -7.512 0.140 0.000) 7.513 12.479 ( 7.512 0.140 0.000) 7.513 13.229 ( -6.322 5.765 0.000) 8.556 13.229 ( 6.322 5.765 0.000) 8.556 13.357 ( -4.102 3.899 0.000) 5.660 13.357 ( 4.102 3.899 0.000) 5.660 13.425 ( -8.899 -3.296 0.000) 9.490 13.425 ( 8.899 -3.296 0.000) 9.490 13.517 ( -0.286 -0.385 0.000) 0.480 13.517 ( 0.286 -0.385 0.000) 0.480 13.694 ( -1.949 -3.049 0.000) 3.619 13.694 ( 1.949 -3.049 0.000) 3.619 13.782 ( -3.072 0.150 0.000) 3.075 13.782 ( 3.072 0.150 0.000) 3.075 14.726 ( -1.649 0.837 0.000) 1.849 14.726 ( 1.649 0.837 0.000) 1.849 15.100 ( -2.181 2.861 0.000) 3.598 15.100 ( 2.181 2.861 0.000) 3.598 15.679 ( -1.226 0.023 0.000) 1.226 15.679 ( 1.226 0.023 0.000) 1.226 15.926 ( -1.886 1.985 0.000) 2.739 15.926 ( 1.886 1.985 0.000) 2.739 16.059 ( -0.970 -2.569 0.000) 2.746 16.059 ( 0.970 -2.569 0.000) 2.746 16.281 ( -1.355 0.286 0.000) 1.385 16.281 ( 1.355 0.286 0.000) 1.385 18.690 ( -6.222 10.037 0.000) 11.809 18.690 ( 6.222 10.037 0.000) 11.809 19.207 ( -6.797 -16.128 0.000) 17.502 19.207 ( 6.797 -16.128 0.000) 17.502 19.789 ( -0.653 0.119 0.000) 0.663 19.789 ( 0.653 0.119 0.000) 0.663 20.219 ( -0.542 -0.235 0.000) 0.591 20.219 ( 0.542 -0.235 0.000) 0.591 20.769 ( -3.192 -2.127 0.000) 3.836 20.769 ( 3.192 -2.127 0.000) 3.836 21.199 ( -6.179 1.476 0.000) 6.353 21.199 ( 6.179 1.476 0.000) 6.353 23.520 ( -1.394 6.260 0.000) 6.414 23.520 ( 1.394 6.260 0.000) 6.414 23.743 ( -2.355 -4.934 0.000) 5.467 23.743 ( 2.355 -4.934 0.000) 5.467 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 -12.011 0.000) 12.011 1.322 ( 0.000 12.011 0.000) 12.011 1.721 ( 0.000 -18.951 0.000) 18.951 1.721 ( 0.000 18.951 0.000) 18.951 2.013 ( 0.000 -0.285 0.000) 0.285 2.013 ( 0.000 0.285 0.000) 0.285 2.364 ( 0.000 -14.626 0.000) 14.626 2.364 ( 0.000 14.626 0.000) 14.626 2.421 ( 0.000 -7.467 0.000) 7.467 2.421 ( 0.000 7.467 0.000) 7.467 2.992 ( 0.000 -22.232 0.000) 22.232 2.992 ( 0.000 22.232 0.000) 22.232 3.294 ( 0.000 -15.691 0.000) 15.691 3.294 ( 0.000 15.691 0.000) 15.691 3.458 ( 0.000 -10.109 0.000) 10.109 3.458 ( 0.000 10.109 0.000) 10.109 3.631 ( 0.000 -12.994 0.000) 12.994 3.631 ( 0.000 12.994 0.000) 12.994 3.694 ( 0.000 -2.375 0.000) 2.375 3.694 ( 0.000 2.375 0.000) 2.375 3.807 ( 0.000 -4.339 0.000) 4.339 3.807 ( 0.000 4.339 0.000) 4.339 4.055 ( 0.000 -6.632 0.000) 6.632 4.055 ( 0.000 6.632 0.000) 6.632 4.516 ( 0.000 -11.137 0.000) 11.137 4.516 ( 0.000 11.137 0.000) 11.137 4.610 ( 0.000 -1.911 0.000) 1.911 4.610 ( 0.000 1.911 0.000) 1.911 4.696 ( 0.000 -7.443 0.000) 7.443 4.696 ( 0.000 7.443 0.000) 7.443 4.716 ( 0.000 -1.027 0.000) 1.027 4.716 ( 0.000 1.027 0.000) 1.027 5.899 ( 0.000 -10.055 0.000) 10.055 5.899 ( 0.000 10.055 0.000) 10.055 5.906 ( 0.000 -0.389 0.000) 0.389 5.906 ( 0.000 0.389 0.000) 0.389 6.307 ( 0.000 -5.788 0.000) 5.788 6.307 ( 0.000 5.788 0.000) 5.788 6.554 ( 0.000 -23.808 0.000) 23.808 6.554 ( 0.000 23.808 0.000) 23.808 6.718 ( 0.000 -0.990 0.000) 0.990 6.718 ( 0.000 0.990 0.000) 0.990 7.562 ( 0.000 -3.069 0.000) 3.069 7.562 ( 0.000 3.069 0.000) 3.069 7.681 ( 0.000 -9.854 0.000) 9.854 7.681 ( 0.000 9.854 0.000) 9.854 8.086 ( 0.000 -7.497 0.000) 7.497 8.086 ( 0.000 7.497 0.000) 7.497 8.206 ( 0.000 -2.361 0.000) 2.361 8.206 ( 0.000 2.361 0.000) 2.361 8.485 ( 0.000 -0.233 0.000) 0.233 8.485 ( 0.000 0.233 0.000) 0.233 9.130 ( 0.000 -5.331 0.000) 5.331 9.130 ( 0.000 5.331 0.000) 5.331 9.698 ( 0.000 -11.085 0.000) 11.085 9.698 ( 0.000 11.085 0.000) 11.085 9.914 ( 0.000 -6.838 0.000) 6.838 9.914 ( 0.000 6.838 0.000) 6.838 9.942 ( 0.000 -8.105 0.000) 8.105 9.942 ( 0.000 8.105 0.000) 8.105 10.189 ( 0.000 -4.926 0.000) 4.926 10.189 ( 0.000 4.926 0.000) 4.926 10.378 ( 0.000 -13.168 0.000) 13.168 10.378 ( 0.000 13.168 0.000) 13.168 10.756 ( 0.000 -4.632 0.000) 4.632 10.756 ( 0.000 4.632 0.000) 4.632 10.839 ( 0.000 -0.808 0.000) 0.808 10.839 ( 0.000 0.808 0.000) 0.808 11.092 ( 0.000 -12.675 0.000) 12.675 11.092 ( 0.000 12.675 0.000) 12.675 11.097 ( 0.000 -4.760 0.000) 4.760 11.097 ( 0.000 4.760 0.000) 4.760 11.492 ( 0.000 -8.866 0.000) 8.866 11.492 ( 0.000 8.866 0.000) 8.866 12.008 ( 0.000 -0.016 0.000) 0.016 12.008 ( 0.000 0.016 0.000) 0.016 12.495 ( 0.000 -0.540 0.000) 0.540 12.495 ( 0.000 0.540 0.000) 0.540 12.711 ( 0.000 -5.546 0.000) 5.546 12.711 ( 0.000 5.546 0.000) 5.546 13.027 ( 0.000 -5.559 0.000) 5.559 13.027 ( 0.000 5.559 0.000) 5.559 13.520 ( 0.000 -2.111 0.000) 2.111 13.520 ( 0.000 2.111 0.000) 2.111 13.583 ( 0.000 -8.794 0.000) 8.794 13.583 ( 0.000 8.794 0.000) 8.794 13.614 ( 0.000 -10.113 0.000) 10.113 13.614 ( 0.000 10.113 0.000) 10.113 13.643 ( 0.000 -1.615 0.000) 1.615 13.643 ( 0.000 1.615 0.000) 1.615 13.891 ( 0.000 -3.681 0.000) 3.681 13.891 ( 0.000 3.681 0.000) 3.681 14.767 ( 0.000 -3.391 0.000) 3.391 14.767 ( 0.000 3.391 0.000) 3.391 15.470 ( 0.000 -5.124 0.000) 5.124 15.470 ( 0.000 5.124 0.000) 5.124 15.673 ( 0.000 -2.214 0.000) 2.214 15.673 ( 0.000 2.214 0.000) 2.214 15.827 ( 0.000 -3.725 0.000) 3.725 15.827 ( 0.000 3.725 0.000) 3.725 16.013 ( 0.000 -5.168 0.000) 5.168 16.013 ( 0.000 5.168 0.000) 5.168 16.257 ( 0.000 -2.804 0.000) 2.804 16.257 ( 0.000 2.804 0.000) 2.804 18.257 ( 0.000 -1.938 0.000) 1.938 18.257 ( 0.000 1.938 0.000) 1.938 18.955 ( 0.000 -12.965 0.000) 12.965 18.955 ( 0.000 12.965 0.000) 12.965 19.771 ( 0.000 -1.245 0.000) 1.245 19.771 ( 0.000 1.245 0.000) 1.245 20.223 ( 0.000 -0.014 0.000) 0.014 20.223 ( 0.000 0.014 0.000) 0.014 20.231 ( 0.000 -1.027 0.000) 1.027 20.231 ( 0.000 1.027 0.000) 1.027 21.971 ( 0.000 -12.264 0.000) 12.264 21.971 ( 0.000 12.264 0.000) 12.264 23.541 ( 0.000 -5.080 0.000) 5.080 23.541 ( 0.000 5.080 0.000) 5.080 23.713 ( 0.000 -6.972 0.000) 6.972 23.713 ( 0.000 6.972 0.000) 6.972 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 9.231 -8.370 0.000) 12.461 1.421 ( 9.231 8.370 0.000) 12.461 1.705 ( -0.261 -19.351 0.000) 19.353 1.705 ( -0.261 19.351 0.000) 19.353 1.984 ( -2.535 -3.762 0.000) 4.536 1.984 ( -2.535 3.762 0.000) 4.536 2.422 ( 4.354 -13.875 0.000) 14.542 2.422 ( 4.354 13.875 0.000) 14.542 2.490 ( 6.761 -8.023 0.000) 10.492 2.490 ( 6.761 8.023 0.000) 10.492 2.951 ( -6.785 -10.225 0.000) 12.271 2.951 ( -6.785 10.225 0.000) 12.271 3.337 ( 4.582 -16.651 0.000) 17.270 3.337 ( 4.582 16.651 0.000) 17.270 3.480 ( -11.561 -8.415 0.000) 14.299 3.480 ( -11.561 8.415 0.000) 14.299 3.491 ( 6.349 -8.069 0.000) 10.267 3.491 ( 6.349 8.069 0.000) 10.267 3.701 ( -0.560 -6.398 0.000) 6.423 3.701 ( -0.560 6.398 0.000) 6.423 3.877 ( 4.560 -1.584 0.000) 4.827 3.877 ( 4.560 1.584 0.000) 4.827 4.104 ( 2.694 -9.684 0.000) 10.051 4.104 ( 2.694 9.684 0.000) 10.051 4.331 ( -13.323 -8.765 0.000) 15.948 4.331 ( -13.323 8.765 0.000) 15.948 4.586 ( -2.939 -5.143 0.000) 5.924 4.586 ( -2.939 5.143 0.000) 5.924 4.728 ( 1.173 -1.348 0.000) 1.787 4.728 ( 1.173 1.348 0.000) 1.787 4.760 ( 6.598 -6.038 0.000) 8.944 4.760 ( 6.598 6.038 0.000) 8.944 5.899 ( -3.801 -1.005 0.000) 3.932 5.899 ( -3.801 1.005 0.000) 3.932 5.920 ( 2.104 -10.923 0.000) 11.124 5.920 ( 2.104 10.923 0.000) 11.124 6.274 ( -2.947 -5.822 0.000) 6.525 6.274 ( -2.947 5.822 0.000) 6.525 6.499 ( -5.047 -22.139 0.000) 22.707 6.499 ( -5.047 22.139 0.000) 22.707 6.774 ( 5.296 -1.160 0.000) 5.422 6.774 ( 5.296 1.160 0.000) 5.422 7.523 ( -3.985 -6.168 0.000) 7.344 7.523 ( -3.985 6.168 0.000) 7.344 7.698 ( 1.290 -8.869 0.000) 8.962 7.698 ( 1.290 8.869 0.000) 8.962 7.963 ( -7.039 -5.820 0.000) 9.133 7.963 ( -7.039 5.820 0.000) 9.133 8.304 ( 5.579 -3.953 0.000) 6.838 8.304 ( 5.579 3.953 0.000) 6.838 8.495 ( 1.254 -0.611 0.000) 1.395 8.495 ( 1.254 0.611 0.000) 1.395 9.110 ( -2.094 -3.997 0.000) 4.512 9.110 ( -2.094 3.997 0.000) 4.512 9.594 ( -8.599 -8.710 0.000) 12.240 9.594 ( -8.599 8.710 0.000) 12.240 9.921 ( 0.984 -5.361 0.000) 5.450 9.921 ( 0.984 5.361 0.000) 5.450 9.930 ( -0.712 -5.622 0.000) 5.667 9.930 ( -0.712 5.622 0.000) 5.667 10.284 ( 8.145 -7.788 0.000) 11.269 10.284 ( 8.145 7.788 0.000) 11.269 10.318 ( -5.819 -10.108 0.000) 11.664 10.318 ( -5.819 10.108 0.000) 11.664 10.759 ( -4.320 -1.144 0.000) 4.469 10.759 ( -4.320 1.144 0.000) 4.469 10.799 ( 3.707 -3.441 0.000) 5.058 10.799 ( 3.707 3.441 0.000) 5.058 11.186 ( 6.660 -12.525 0.000) 14.186 11.186 ( 6.660 12.525 0.000) 14.186 11.273 ( 13.319 -4.602 0.000) 14.092 11.273 ( 13.319 4.602 0.000) 14.092 11.467 ( -1.195 -9.541 0.000) 9.616 11.467 ( -1.195 9.541 0.000) 9.616 12.038 ( 3.309 -1.106 0.000) 3.489 12.038 ( 3.309 1.106 0.000) 3.489 12.479 ( -1.333 -0.666 0.000) 1.490 12.479 ( -1.333 0.666 0.000) 1.490 12.681 ( -3.211 -5.411 0.000) 6.292 12.681 ( -3.211 5.411 0.000) 6.292 13.071 ( 4.338 -5.255 0.000) 6.815 13.071 ( 4.338 5.255 0.000) 6.815 13.512 ( -1.161 -3.735 0.000) 3.911 13.512 ( -1.161 3.735 0.000) 3.911 13.541 ( -3.323 -4.716 0.000) 5.769 13.541 ( -3.323 4.716 0.000) 5.769 13.579 ( -3.507 -9.491 0.000) 10.118 13.579 ( -3.507 9.491 0.000) 10.118 13.650 ( 0.446 -2.697 0.000) 2.733 13.650 ( 0.446 2.697 0.000) 2.733 13.867 ( -2.312 -4.005 0.000) 4.625 13.867 ( -2.312 4.005 0.000) 4.625 14.757 ( -0.885 -2.943 0.000) 3.073 14.757 ( -0.885 2.943 0.000) 3.073 15.337 ( -9.809 -1.297 0.000) 9.894 15.337 ( -9.809 1.297 0.000) 9.894 15.675 ( 0.122 -1.995 0.000) 1.999 15.675 ( 0.122 1.995 0.000) 1.999 15.879 ( 3.147 -0.321 0.000) 3.164 15.879 ( 3.147 0.321 0.000) 3.164 16.032 ( 1.225 -2.974 0.000) 3.216 16.032 ( 1.225 2.974 0.000) 3.216 16.264 ( 0.646 -2.425 0.000) 2.509 16.264 ( 0.646 2.425 0.000) 2.509 18.431 ( 15.356 -7.660 0.000) 17.160 18.431 ( 15.356 7.660 0.000) 17.160 18.972 ( 1.414 -13.066 0.000) 13.143 18.972 ( 1.414 13.066 0.000) 13.143 19.776 ( 0.445 -1.101 0.000) 1.188 19.776 ( 0.445 1.101 0.000) 1.188 20.228 ( -0.348 -0.911 0.000) 0.975 20.228 ( -0.348 0.911 0.000) 0.975 20.293 ( 7.607 -2.844 0.000) 8.121 20.293 ( 7.607 2.844 0.000) 8.121 21.829 ( -13.948 -9.774 0.000) 17.031 21.829 ( -13.948 9.774 0.000) 17.031 23.556 ( 1.434 -5.282 0.000) 5.473 23.556 ( 1.434 5.282 0.000) 5.473 23.703 ( -0.944 -6.997 0.000) 7.060 23.703 ( -0.944 6.997 0.000) 7.060 ======================= Grid point 25 (15/64) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 9.067 -1.846 0.000) 9.253 1.614 ( 9.067 1.846 0.000) 9.253 1.762 ( 6.513 -15.787 0.000) 17.078 1.762 ( 6.513 15.787 0.000) 17.078 1.933 ( -2.404 -4.307 0.000) 4.932 1.933 ( -2.404 4.307 0.000) 4.932 2.410 ( -8.132 -10.462 0.000) 13.251 2.410 ( -8.132 10.462 0.000) 13.251 2.667 ( 11.301 -9.117 0.000) 14.520 2.667 ( 11.301 9.117 0.000) 14.520 2.850 ( 0.392 -4.379 0.000) 4.396 2.850 ( 0.392 4.379 0.000) 4.396 3.228 ( -14.132 -8.091 0.000) 16.284 3.228 ( -14.132 8.091 0.000) 16.284 3.331 ( -4.024 -4.736 0.000) 6.215 3.331 ( -4.024 4.736 0.000) 6.215 3.684 ( -0.889 -3.461 0.000) 3.574 3.684 ( -0.889 3.461 0.000) 3.574 3.749 ( 14.799 -4.766 0.000) 15.548 3.749 ( 14.799 4.766 0.000) 15.548 3.942 ( 2.129 -0.580 0.000) 2.207 3.942 ( 2.129 0.580 0.000) 2.207 4.065 ( -5.162 -2.749 0.000) 5.849 4.065 ( -5.162 2.749 0.000) 5.849 4.198 ( 0.343 -11.622 0.000) 11.627 4.198 ( 0.343 11.622 0.000) 11.627 4.585 ( 3.396 -7.997 0.000) 8.689 4.585 ( 3.396 7.997 0.000) 8.689 4.754 ( 1.301 -1.146 0.000) 1.734 4.754 ( 1.301 1.146 0.000) 1.734 4.865 ( 2.167 -10.559 0.000) 10.779 4.865 ( 2.167 10.559 0.000) 10.779 5.738 ( -10.337 -1.383 0.000) 10.429 5.738 ( -10.337 1.383 0.000) 10.429 5.968 ( 2.468 -9.969 0.000) 10.270 5.968 ( 2.468 9.969 0.000) 10.270 6.203 ( -4.091 -3.648 0.000) 5.481 6.203 ( -4.091 3.648 0.000) 5.481 6.395 ( -4.784 -15.815 0.000) 16.522 6.395 ( -4.784 15.815 0.000) 16.522 6.877 ( 4.271 -1.620 0.000) 4.568 6.877 ( 4.271 1.620 0.000) 4.568 7.434 ( -4.081 -6.963 0.000) 8.071 7.434 ( -4.081 6.963 0.000) 8.071 7.712 ( 0.001 -5.395 0.000) 5.395 7.712 ( 0.001 5.395 0.000) 5.395 7.872 ( -2.575 -5.619 0.000) 6.181 7.872 ( -2.575 5.619 0.000) 6.181 8.389 ( 3.168 -2.448 0.000) 4.004 8.389 ( 3.168 2.448 0.000) 4.004 8.538 ( 2.861 -1.355 0.000) 3.166 8.538 ( 2.861 1.355 0.000) 3.166 9.054 ( -3.310 -3.781 0.000) 5.025 9.054 ( -3.310 3.781 0.000) 5.025 9.442 ( -6.050 -6.234 0.000) 8.687 9.442 ( -6.050 6.234 0.000) 8.687 9.918 ( -0.487 -4.771 0.000) 4.795 9.918 ( -0.487 4.771 0.000) 4.795 9.961 ( 3.331 -8.978 0.000) 9.576 9.961 ( 3.331 8.978 0.000) 9.576 10.185 ( -7.213 -10.563 0.000) 12.791 10.185 ( -7.213 10.563 0.000) 12.791 10.450 ( 7.776 -5.745 0.000) 9.668 10.450 ( 7.776 5.745 0.000) 9.668 10.708 ( -1.297 -1.634 0.000) 2.086 10.708 ( -1.297 1.634 0.000) 2.086 10.877 ( 4.123 -5.818 0.000) 7.131 10.877 ( 4.123 5.818 0.000) 7.131 11.202 ( -4.538 -7.055 0.000) 8.388 11.202 ( -4.538 7.055 0.000) 8.388 11.506 ( 9.288 -3.551 0.000) 9.943 11.506 ( 9.288 3.551 0.000) 9.943 11.523 ( 5.658 -5.290 0.000) 7.746 11.523 ( 5.658 5.290 0.000) 7.746 12.141 ( 7.238 -2.776 0.000) 7.752 12.141 ( 7.238 2.776 0.000) 7.752 12.458 ( -0.637 -0.789 0.000) 1.014 12.458 ( -0.637 0.789 0.000) 1.014 12.584 ( -6.717 -4.698 0.000) 8.197 12.584 ( -6.717 4.698 0.000) 8.197 13.185 ( 7.272 -4.746 0.000) 8.684 13.185 ( 7.272 4.746 0.000) 8.684 13.447 ( -3.854 -4.585 0.000) 5.990 13.447 ( -3.854 4.585 0.000) 5.990 13.483 ( -6.327 -7.545 0.000) 9.847 13.483 ( -6.327 7.545 0.000) 9.847 13.513 ( -0.497 -0.366 0.000) 0.617 13.513 ( -0.497 0.366 0.000) 0.617 13.657 ( 0.238 -1.752 0.000) 1.768 13.657 ( 0.238 1.752 0.000) 1.768 13.814 ( -2.665 -3.141 0.000) 4.119 13.814 ( -2.665 3.141 0.000) 4.119 14.741 ( -0.619 -1.712 0.000) 1.820 14.741 ( -0.619 1.712 0.000) 1.820 15.182 ( -5.554 -1.623 0.000) 5.786 15.182 ( -5.554 1.623 0.000) 5.786 15.677 ( 0.132 -1.226 0.000) 1.233 15.677 ( 0.132 1.226 0.000) 1.233 15.928 ( 2.078 -1.939 0.000) 2.842 15.928 ( 2.078 1.939 0.000) 2.842 16.038 ( -0.607 -1.190 0.000) 1.336 16.038 ( -0.607 1.190 0.000) 1.336 16.277 ( 0.622 -1.393 0.000) 1.526 16.277 ( 0.622 1.393 0.000) 1.526 18.728 ( 13.348 -13.131 0.000) 18.724 18.728 ( 13.348 13.131 0.000) 18.724 18.985 ( -0.795 -13.913 0.000) 13.936 18.985 ( -0.795 13.913 0.000) 13.936 19.785 ( 0.460 -0.664 0.000) 0.808 19.785 ( 0.460 0.664 0.000) 0.808 20.220 ( -0.362 -0.553 0.000) 0.662 20.220 ( -0.362 0.553 0.000) 0.662 20.519 ( 15.145 -2.669 0.000) 15.379 20.519 ( 15.145 2.669 0.000) 15.379 21.487 ( -19.762 -5.200 0.000) 20.435 21.487 ( -19.762 5.200 0.000) 20.435 23.592 ( 2.171 -5.565 0.000) 5.974 23.592 ( 2.171 5.565 0.000) 5.974 23.678 ( -1.614 -6.595 0.000) 6.789 23.678 ( -1.614 6.595 0.000) 6.789 ======================= Grid point 27 (16/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.876 ( -0.000 -0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 -0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 3.000 ( -0.000 -0.000 0.000) 0.000 3.000 ( -0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.929 ( -0.000 -0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 -0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 3.971 ( -0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 -0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 -0.000 0.000) 0.000 4.675 ( -0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.829 ( -0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 -0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 -0.000 0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 9.014 ( 0.000 -0.000 0.000) 0.000 9.014 ( 0.000 -0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.913 ( 0.000 0.000 0.000) 0.000 9.913 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 -0.000 0.000) 0.000 10.034 ( -0.000 0.000 0.000) 0.000 10.074 ( -0.000 -0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 0.000 0.000) 0.000 10.534 ( -0.000 0.000 0.000) 0.000 10.697 ( -0.000 0.000 0.000) 0.000 10.697 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 11.129 ( 0.000 -0.000 0.000) 0.000 11.129 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.479 ( -0.000 -0.000 0.000) 0.000 12.479 ( 0.000 0.000 0.000) 0.000 13.322 ( -0.000 -0.000 0.000) 0.000 13.322 ( -0.000 0.000 0.000) 0.000 13.357 ( 0.000 -0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.508 ( 0.000 0.000 0.000) 0.000 13.508 ( 0.000 0.000 0.000) 0.000 13.659 ( 0.000 0.000 0.000) 0.000 13.659 ( 0.000 0.000 0.000) 0.000 13.785 ( 0.000 0.000 0.000) 0.000 13.785 ( 0.000 0.000 0.000) 0.000 14.735 ( 0.000 0.000 0.000) 0.000 14.735 ( 0.000 0.000 0.000) 0.000 15.129 ( 0.000 0.000 0.000) 0.000 15.129 ( 0.000 0.000 0.000) 0.000 15.679 ( 0.000 0.000 0.000) 0.000 15.679 ( 0.000 0.000 0.000) 0.000 15.952 ( 0.000 0.000 0.000) 0.000 15.952 ( 0.000 0.000 0.000) 0.000 16.026 ( 0.000 0.000 0.000) 0.000 16.026 ( -0.000 0.000 0.000) 0.000 16.284 ( 0.000 0.000 0.000) 0.000 16.284 ( 0.000 0.000 0.000) 0.000 18.916 ( 0.000 -0.000 0.000) 0.000 18.916 ( -0.000 0.000 0.000) 0.000 18.920 ( -0.000 -0.000 0.000) 0.000 18.920 ( 0.000 0.000 0.000) 0.000 19.790 ( 0.000 0.000 0.000) 0.000 19.790 ( 0.000 0.000 0.000) 0.000 20.216 ( 0.000 0.000 0.000) 0.000 20.216 ( 0.000 0.000 0.000) 0.000 20.747 ( 0.000 0.000 0.000) 0.000 20.747 ( 0.000 0.000 0.000) 0.000 21.214 ( -0.000 0.000 0.000) 0.000 21.214 ( 0.000 0.000 0.000) 0.000 23.626 ( 0.000 -0.000 0.000) 0.000 23.626 ( 0.000 0.000 0.000) 0.000 23.650 ( -0.000 -0.000 0.000) 0.000 23.650 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 0.000 0.000 29.678) 29.678 0.781 ( 0.000 0.000 37.311) 37.311 1.192 ( 0.000 0.000 54.632) 54.632 1.658 ( 0.000 0.000 2.569) 2.569 2.003 ( 0.000 0.000 7.075) 7.075 2.058 ( 0.000 0.000 3.313) 3.313 2.154 ( 0.000 0.000 7.829) 7.829 2.207 ( 0.000 0.000 19.993) 19.993 2.881 ( 0.000 0.000 -5.102) 5.102 2.996 ( 0.000 0.000 2.032) 2.032 3.118 ( 0.000 0.000 4.617) 4.617 3.119 ( 0.000 0.000 2.973) 2.973 3.126 ( 0.000 0.000 -7.913) 7.913 3.187 ( 0.000 0.000 15.004) 15.004 3.217 ( 0.000 0.000 3.932) 3.932 3.315 ( 0.000 0.000 -5.479) 5.479 3.642 ( 0.000 0.000 -0.364) 0.364 3.716 ( 0.000 0.000 0.140) 0.140 3.748 ( 0.000 0.000 -5.418) 5.418 3.769 ( 0.000 0.000 5.365) 5.365 3.784 ( 0.000 0.000 0.674) 0.674 4.031 ( 0.000 0.000 17.166) 17.166 4.035 ( 0.000 0.000 21.716) 21.716 4.053 ( 0.000 0.000 3.580) 3.580 4.320 ( 0.000 0.000 18.701) 18.701 4.432 ( 0.000 0.000 -0.611) 0.611 4.440 ( 0.000 0.000 -8.879) 8.879 4.536 ( 0.000 0.000 7.278) 7.278 4.727 ( 0.000 0.000 -1.213) 1.213 4.840 ( 0.000 0.000 9.378) 9.378 5.011 ( 0.000 0.000 -0.379) 0.379 5.071 ( 0.000 0.000 3.113) 3.113 5.696 ( 0.000 0.000 -7.804) 7.804 5.898 ( 0.000 0.000 -2.804) 2.804 5.975 ( 0.000 0.000 -10.231) 10.231 6.015 ( 0.000 0.000 1.250) 1.250 6.059 ( 0.000 0.000 -12.983) 12.983 6.094 ( 0.000 0.000 12.294) 12.294 6.417 ( 0.000 0.000 2.188) 2.188 6.670 ( 0.000 0.000 -1.056) 1.056 6.768 ( 0.000 0.000 3.689) 3.689 7.240 ( 0.000 0.000 -5.207) 5.207 7.462 ( 0.000 0.000 -3.713) 3.713 7.550 ( 0.000 0.000 5.122) 5.122 7.646 ( 0.000 0.000 -5.494) 5.494 7.847 ( 0.000 0.000 -2.521) 2.521 8.126 ( 0.000 0.000 -2.686) 2.686 8.131 ( 0.000 0.000 -0.910) 0.910 8.274 ( 0.000 0.000 -0.237) 0.237 8.298 ( 0.000 0.000 -0.662) 0.662 8.443 ( 0.000 0.000 -4.510) 4.510 8.481 ( 0.000 0.000 8.463) 8.463 8.931 ( 0.000 0.000 6.218) 6.218 9.233 ( 0.000 0.000 3.124) 3.124 9.309 ( 0.000 0.000 -0.871) 0.871 9.411 ( 0.000 0.000 -5.290) 5.290 9.666 ( 0.000 0.000 -6.338) 6.338 9.759 ( 0.000 0.000 -2.601) 2.601 9.900 ( 0.000 0.000 5.074) 5.074 9.998 ( 0.000 0.000 -0.740) 0.740 10.103 ( 0.000 0.000 -7.152) 7.152 10.348 ( 0.000 0.000 -3.183) 3.183 10.366 ( 0.000 0.000 -2.126) 2.126 10.470 ( 0.000 0.000 -6.356) 6.356 10.543 ( 0.000 0.000 2.504) 2.504 10.569 ( 0.000 0.000 -8.323) 8.323 10.893 ( 0.000 0.000 -6.460) 6.460 10.935 ( 0.000 0.000 7.897) 7.897 10.961 ( 0.000 0.000 8.042) 8.042 11.146 ( 0.000 0.000 -22.340) 22.340 11.330 ( 0.000 0.000 -2.164) 2.164 11.624 ( 0.000 0.000 5.260) 5.260 11.694 ( 0.000 0.000 -14.425) 14.425 11.974 ( 0.000 0.000 10.640) 10.640 12.020 ( 0.000 0.000 0.160) 0.160 12.254 ( 0.000 0.000 9.819) 9.819 12.399 ( 0.000 0.000 -2.438) 2.438 12.420 ( 0.000 0.000 -6.633) 6.633 12.541 ( 0.000 0.000 1.580) 1.580 12.722 ( 0.000 0.000 -0.231) 0.231 12.787 ( 0.000 0.000 1.842) 1.842 13.103 ( 0.000 0.000 3.394) 3.394 13.187 ( 0.000 0.000 0.800) 0.800 13.211 ( 0.000 0.000 1.541) 1.541 13.482 ( 0.000 0.000 0.324) 0.324 13.502 ( 0.000 0.000 -5.597) 5.597 13.559 ( 0.000 0.000 -6.826) 6.826 13.591 ( 0.000 0.000 -2.099) 2.099 13.749 ( 0.000 0.000 -2.988) 2.988 13.887 ( 0.000 0.000 -5.607) 5.607 14.130 ( 0.000 0.000 9.846) 9.846 14.386 ( 0.000 0.000 -0.594) 0.594 14.668 ( 0.000 0.000 2.703) 2.703 14.829 ( 0.000 0.000 3.087) 3.087 14.871 ( 0.000 0.000 -0.706) 0.706 15.272 ( 0.000 0.000 -2.929) 2.929 15.624 ( 0.000 0.000 1.874) 1.874 15.690 ( 0.000 0.000 -1.802) 1.802 15.844 ( 0.000 0.000 3.939) 3.939 15.846 ( 0.000 0.000 1.208) 1.208 15.983 ( 0.000 0.000 -7.073) 7.073 16.002 ( 0.000 0.000 1.172) 1.172 16.127 ( 0.000 0.000 -1.173) 1.173 16.295 ( 0.000 0.000 -3.654) 3.654 18.160 ( 0.000 0.000 3.692) 3.692 18.277 ( 0.000 0.000 0.637) 0.637 18.457 ( 0.000 0.000 -2.001) 2.001 19.284 ( 0.000 0.000 -14.159) 14.159 19.773 ( 0.000 0.000 3.247) 3.247 19.907 ( 0.000 0.000 6.659) 6.659 20.250 ( 0.000 0.000 -1.313) 1.313 20.301 ( 0.000 0.000 2.278) 2.278 20.330 ( 0.000 0.000 3.736) 3.736 20.546 ( 0.000 0.000 6.210) 6.210 21.620 ( 0.000 0.000 7.283) 7.283 22.633 ( 0.000 0.000 -4.867) 4.867 23.341 ( 0.000 0.000 4.930) 4.930 23.365 ( 0.000 0.000 2.674) 2.674 23.758 ( 0.000 0.000 -1.308) 1.308 23.831 ( 0.000 0.000 -1.921) 1.921 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 11.277 0.000 20.916) 23.762 0.862 ( 22.377 0.000 18.794) 29.222 1.634 ( 19.730 0.000 30.614) 36.421 1.712 ( 10.932 0.000 10.386) 15.079 2.039 ( -2.210 0.000 6.986) 7.327 2.049 ( 3.572 0.000 4.066) 5.412 2.203 ( -0.506 0.000 12.848) 12.858 2.239 ( 11.951 0.000 10.544) 15.937 2.763 ( -11.251 0.000 -2.909) 11.621 2.867 ( -16.439 0.000 18.681) 24.884 2.912 ( -7.577 0.000 1.051) 7.650 2.980 ( -9.147 0.000 -1.175) 9.222 3.075 ( -9.368 0.000 6.883) 11.625 3.171 ( 3.241 0.000 -5.560) 6.435 3.200 ( 3.084 0.000 12.290) 12.671 3.402 ( 6.427 0.000 -4.518) 7.856 3.568 ( -5.095 0.000 -2.575) 5.709 3.607 ( -0.815 0.000 7.752) 7.795 3.722 ( -4.782 0.000 13.827) 14.630 3.820 ( -4.199 0.000 3.669) 5.576 3.844 ( -1.135 0.000 0.197) 1.152 3.968 ( -5.924 0.000 11.150) 12.626 3.989 ( 8.495 0.000 0.093) 8.496 4.109 ( 6.453 0.000 10.758) 12.545 4.380 ( -4.831 0.000 2.139) 5.284 4.442 ( 4.522 0.000 15.654) 16.295 4.479 ( 2.359 0.000 -5.880) 6.336 4.563 ( 1.261 0.000 5.033) 5.189 4.783 ( 3.926 0.000 2.254) 4.527 4.859 ( 4.546 0.000 5.619) 7.228 5.018 ( -0.690 0.000 2.038) 2.151 5.075 ( 1.238 0.000 1.455) 1.910 5.636 ( -4.519 0.000 -9.004) 10.075 5.764 ( -7.473 0.000 14.228) 16.071 5.909 ( -6.093 0.000 1.284) 6.227 5.936 ( -6.381 0.000 1.246) 6.501 6.043 ( 1.840 0.000 -5.001) 5.329 6.209 ( 9.773 0.000 -13.860) 16.959 6.564 ( -0.464 0.000 -0.704) 0.843 6.756 ( 2.607 0.000 -0.521) 2.658 6.887 ( 11.752 0.000 -7.423) 13.900 7.204 ( -4.359 0.000 -3.782) 5.771 7.367 ( -8.812 0.000 -4.646) 9.962 7.467 ( -6.003 0.000 2.621) 6.550 7.695 ( 4.187 0.000 -7.404) 8.506 7.770 ( -11.148 0.000 1.870) 11.303 8.043 ( -0.605 0.000 1.215) 1.357 8.062 ( -5.809 0.000 -1.777) 6.075 8.309 ( 2.825 0.000 0.040) 2.825 8.379 ( 4.935 0.000 -1.665) 5.208 8.490 ( 2.749 0.000 -4.099) 4.936 8.594 ( 8.621 0.000 2.956) 9.114 8.899 ( -3.284 0.000 4.805) 5.820 9.172 ( -10.128 0.000 1.929) 10.310 9.254 ( 4.183 0.000 1.769) 4.542 9.401 ( 0.512 0.000 -7.221) 7.239 9.743 ( 4.859 0.000 -6.800) 8.358 9.759 ( 0.580 0.000 -0.375) 0.691 9.898 ( -4.616 0.000 -1.629) 4.895 10.060 ( 13.654 0.000 3.042) 13.989 10.217 ( -6.453 0.000 -6.508) 9.165 10.290 ( 8.085 0.000 -5.116) 9.568 10.326 ( -4.439 0.000 -4.493) 6.316 10.500 ( -7.234 0.000 -5.910) 9.341 10.584 ( 9.218 0.000 6.769) 11.437 10.631 ( 5.840 0.000 -8.170) 10.043 10.773 ( -6.233 0.000 -0.454) 6.249 10.966 ( 3.261 0.000 8.532) 9.134 11.133 ( 7.861 0.000 -4.744) 9.182 11.156 ( 3.155 0.000 -14.655) 14.991 11.373 ( 4.606 0.000 -3.287) 5.659 11.655 ( -9.007 0.000 -4.999) 10.301 11.663 ( 3.308 0.000 4.368) 5.479 11.869 ( -2.347 0.000 7.609) 7.962 12.009 ( -0.754 0.000 0.184) 0.776 12.234 ( -1.029 0.000 7.666) 7.735 12.369 ( -2.474 0.000 -0.968) 2.656 12.430 ( 0.888 0.000 -6.349) 6.411 12.506 ( -2.269 0.000 0.108) 2.272 12.743 ( -4.480 0.000 1.536) 4.736 12.800 ( 6.785 0.000 -1.548) 6.960 13.120 ( 1.768 0.000 3.219) 3.673 13.174 ( -1.329 0.000 -0.188) 1.343 13.251 ( 3.887 0.000 1.462) 4.152 13.462 ( -1.020 0.000 -2.952) 3.124 13.510 ( -1.691 0.000 -2.183) 2.762 13.547 ( -0.011 0.000 -4.776) 4.776 13.583 ( -0.425 0.000 -2.814) 2.845 13.662 ( -7.928 0.000 3.357) 8.609 13.804 ( -4.849 0.000 -6.303) 7.953 14.082 ( -4.576 0.000 9.185) 10.262 14.111 ( -9.395 0.000 8.751) 12.839 14.671 ( 0.417 0.000 2.751) 2.783 14.841 ( -2.044 0.000 -0.021) 2.044 14.852 ( 1.568 0.000 2.488) 2.941 15.230 ( -4.746 0.000 -2.626) 5.424 15.629 ( 0.654 0.000 1.789) 1.905 15.774 ( 0.879 0.000 -0.649) 1.093 15.846 ( 0.288 0.000 2.641) 2.657 15.866 ( 0.893 0.000 -6.101) 6.166 15.999 ( 1.411 0.000 -6.103) 6.264 16.028 ( 2.571 0.000 -0.613) 2.643 16.153 ( 2.557 0.000 -0.912) 2.715 16.320 ( 0.687 0.000 -2.454) 2.548 18.206 ( 5.264 0.000 1.861) 5.583 18.490 ( 2.787 0.000 -2.130) 3.507 18.991 ( 39.793 0.000 -36.586) 54.056 19.290 ( 0.958 0.000 -13.322) 13.357 19.779 ( 0.594 0.000 2.924) 2.983 19.903 ( -0.594 0.000 5.758) 5.788 20.129 ( -6.152 0.000 0.304) 6.159 20.270 ( -4.351 0.000 1.395) 4.569 20.469 ( 11.324 0.000 1.800) 11.467 20.670 ( 10.911 0.000 8.180) 13.636 21.537 ( -8.352 0.000 7.347) 11.124 22.207 ( -30.134 0.000 17.661) 34.928 23.347 ( 1.070 0.000 3.975) 4.117 23.374 ( 0.818 0.000 2.560) 2.688 23.808 ( 2.298 0.000 -2.957) 3.745 23.829 ( -0.089 0.000 -1.788) 1.790 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 29.495 0.000 -7.260) 30.375 1.322 ( 23.019 0.000 7.287) 24.145 1.759 ( 4.933 0.000 2.145) 5.379 1.964 ( -5.683 0.000 7.356) 9.295 2.013 ( 8.119 0.000 10.288) 13.105 2.148 ( 8.496 0.000 8.517) 12.030 2.182 ( -1.779 0.000 4.886) 5.200 2.441 ( -2.817 0.000 6.451) 7.039 2.475 ( -18.200 0.000 -0.814) 18.218 2.740 ( -1.791 0.000 14.339) 14.451 2.795 ( -10.083 0.000 -3.515) 10.678 2.851 ( -11.676 0.000 4.783) 12.618 2.923 ( 20.430 0.000 11.561) 23.474 3.255 ( 5.076 0.000 -2.601) 5.703 3.269 ( 4.184 0.000 16.300) 16.829 3.454 ( -1.438 0.000 -6.242) 6.406 3.546 ( -6.696 0.000 17.449) 18.690 3.556 ( 0.265 0.000 1.082) 1.113 3.653 ( 2.190 0.000 1.105) 2.453 3.801 ( -0.210 0.000 2.293) 2.302 3.820 ( -8.123 0.000 7.745) 11.223 3.824 ( 0.506 0.000 -2.834) 2.879 4.154 ( 9.229 0.000 2.766) 9.634 4.209 ( 2.064 0.000 17.751) 17.871 4.263 ( -6.639 0.000 6.394) 9.217 4.446 ( -5.784 0.000 5.462) 7.955 4.498 ( 1.600 0.000 16.581) 16.658 4.563 ( -1.470 0.000 -5.377) 5.574 4.822 ( 0.708 0.000 4.691) 4.744 4.931 ( -4.574 0.000 9.777) 10.794 5.062 ( 10.826 0.000 -5.330) 12.067 5.153 ( 5.644 0.000 -3.086) 6.433 5.593 ( 1.024 0.000 -6.638) 6.717 5.672 ( -2.238 0.000 13.341) 13.527 5.778 ( -6.337 0.000 2.881) 6.961 5.810 ( -6.718 0.000 -5.317) 8.567 6.071 ( 1.539 0.000 0.885) 1.775 6.291 ( -4.668 0.000 -5.947) 7.560 6.612 ( 9.868 0.000 0.928) 9.912 6.823 ( 4.749 0.000 -1.132) 4.882 7.027 ( 4.687 0.000 -4.365) 6.405 7.072 ( -8.226 0.000 -2.016) 8.470 7.160 ( -12.354 0.000 -2.063) 12.525 7.329 ( -10.458 0.000 -2.361) 10.722 7.579 ( -3.173 0.000 2.998) 4.365 7.738 ( -2.272 0.000 -8.301) 8.606 7.968 ( -1.014 0.000 2.352) 2.561 8.056 ( -0.157 0.000 0.093) 0.182 8.366 ( 2.846 0.000 -1.359) 3.154 8.450 ( -0.535 0.000 -5.259) 5.286 8.555 ( 7.460 0.000 0.669) 7.490 8.728 ( 5.073 0.000 1.309) 5.239 8.823 ( -4.169 0.000 1.549) 4.447 8.982 ( -9.597 0.000 3.147) 10.100 9.427 ( 11.936 0.000 -3.851) 12.542 9.446 ( 4.227 0.000 -7.436) 8.553 9.785 ( -0.142 0.000 -3.616) 3.619 9.833 ( 4.236 0.000 -7.506) 8.619 9.843 ( 1.342 0.000 4.420) 4.620 10.080 ( -5.159 0.000 -4.653) 6.948 10.136 ( -10.789 0.000 -6.319) 12.504 10.231 ( -7.805 0.000 4.015) 8.777 10.439 ( 8.718 0.000 0.798) 8.754 10.447 ( 6.562 0.000 -3.315) 7.352 10.667 ( -4.980 0.000 -1.528) 5.209 10.698 ( 0.496 0.000 -6.743) 6.762 10.800 ( 12.279 0.000 3.742) 12.837 11.054 ( 5.570 0.000 5.889) 8.106 11.121 ( -3.071 0.000 -11.753) 12.147 11.338 ( 7.125 0.000 2.095) 7.426 11.427 ( -9.652 0.000 0.559) 9.668 11.500 ( 7.669 0.000 -4.623) 8.955 11.696 ( -1.145 0.000 2.316) 2.584 11.835 ( -4.180 0.000 -1.292) 4.376 12.028 ( 3.819 0.000 0.554) 3.859 12.241 ( -1.320 0.000 -0.120) 1.326 12.332 ( 1.571 0.000 1.108) 1.922 12.445 ( 0.318 0.000 -5.753) 5.762 12.482 ( -0.082 0.000 -1.548) 1.550 12.628 ( -6.910 0.000 0.692) 6.945 12.942 ( 7.311 0.000 -2.563) 7.748 13.135 ( -2.773 0.000 -1.899) 3.361 13.175 ( 4.188 0.000 2.527) 4.891 13.350 ( 6.126 0.000 0.747) 6.171 13.412 ( -6.210 0.000 -1.100) 6.307 13.462 ( 0.155 0.000 -3.068) 3.072 13.545 ( -4.075 0.000 0.054) 4.075 13.562 ( -2.099 0.000 -4.920) 5.349 13.579 ( 2.292 0.000 -0.677) 2.390 13.721 ( -4.264 0.000 -5.340) 6.834 13.985 ( -4.332 0.000 8.241) 9.311 14.000 ( -3.970 0.000 6.339) 7.479 14.687 ( 1.358 0.000 2.701) 3.023 14.782 ( -3.281 0.000 1.142) 3.474 14.912 ( 4.090 0.000 1.389) 4.320 15.119 ( -6.179 0.000 -1.388) 6.333 15.653 ( 1.841 0.000 1.745) 2.536 15.749 ( -2.447 0.000 2.009) 3.166 15.855 ( 0.629 0.000 0.236) 0.672 15.872 ( -0.055 0.000 -5.181) 5.181 16.029 ( 1.683 0.000 -4.543) 4.845 16.065 ( 0.812 0.000 -2.504) 2.633 16.214 ( 3.417 0.000 -0.705) 3.489 16.312 ( -1.291 0.000 -1.212) 1.771 18.337 ( 7.634 0.000 -0.518) 7.651 18.526 ( -0.102 0.000 -2.608) 2.609 19.340 ( 4.530 0.000 -11.970) 12.798 19.435 ( 8.852 0.000 -27.177) 28.582 19.794 ( 0.882 0.000 2.073) 2.253 19.866 ( -3.257 0.000 3.197) 4.564 20.067 ( 0.406 0.000 -0.475) 0.625 20.189 ( -4.008 0.000 -1.366) 4.234 20.718 ( 14.446 0.000 3.998) 14.989 20.931 ( 15.821 0.000 10.444) 18.958 21.315 ( -14.148 0.000 7.659) 16.088 21.689 ( -23.734 0.000 19.118) 30.476 23.374 ( 1.418 0.000 2.748) 3.092 23.390 ( 0.646 0.000 2.307) 2.395 23.829 ( 0.090 0.000 -1.501) 1.504 23.831 ( 0.434 0.000 -1.834) 1.884 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -5.593 0.000 -8.442) 10.127 1.585 ( 5.593 0.000 -8.442) 10.127 1.840 ( -4.218 0.000 0.848) 4.302 1.840 ( 4.218 0.000 0.848) 4.302 2.133 ( -7.759 0.000 10.997) 13.459 2.133 ( 7.759 0.000 10.997) 13.459 2.182 ( -1.120 0.000 4.145) 4.294 2.182 ( 1.120 0.000 4.145) 4.294 2.532 ( -14.286 0.000 -1.099) 14.328 2.532 ( 14.286 0.000 -1.099) 14.328 2.738 ( -1.930 0.000 6.803) 7.072 2.738 ( 1.930 0.000 6.803) 7.072 3.330 ( -0.455 0.000 10.053) 10.064 3.330 ( 0.455 0.000 10.053) 10.064 3.364 ( -15.732 0.000 5.431) 16.643 3.364 ( 15.732 0.000 5.431) 16.643 3.456 ( -0.997 0.000 7.368) 7.435 3.456 ( 0.997 0.000 7.368) 7.435 3.695 ( -2.689 0.000 7.127) 7.617 3.695 ( 2.689 0.000 7.127) 7.617 3.853 ( -0.182 0.000 -5.798) 5.801 3.853 ( 0.182 0.000 -5.798) 5.801 4.180 ( -1.005 0.000 13.624) 13.661 4.180 ( 1.005 0.000 13.624) 13.661 4.323 ( -7.031 0.000 3.883) 8.032 4.323 ( 7.031 0.000 3.883) 8.032 4.519 ( -1.544 0.000 10.649) 10.760 4.519 ( 1.544 0.000 10.649) 10.760 4.852 ( -2.784 0.000 5.755) 6.393 4.852 ( 2.784 0.000 5.755) 6.393 5.206 ( -2.004 0.000 -7.451) 7.716 5.206 ( 2.004 0.000 -7.451) 7.716 5.651 ( -2.331 0.000 5.807) 6.257 5.651 ( 2.331 0.000 5.807) 6.257 5.710 ( -1.133 0.000 -3.662) 3.833 5.710 ( 1.133 0.000 -3.662) 3.833 6.144 ( -6.972 0.000 2.547) 7.422 6.144 ( 6.972 0.000 2.547) 7.422 6.874 ( -14.678 0.000 -0.337) 14.682 6.874 ( 14.678 0.000 -0.337) 14.682 6.938 ( -7.479 0.000 -2.505) 7.887 6.938 ( 7.479 0.000 -2.505) 7.887 7.135 ( -7.702 0.000 -2.053) 7.971 7.135 ( 7.702 0.000 -2.053) 7.971 7.630 ( -6.115 0.000 -2.966) 6.796 7.630 ( 6.115 0.000 -2.966) 6.796 8.016 ( -3.563 0.000 0.955) 3.689 8.016 ( 3.563 0.000 0.955) 3.689 8.414 ( -2.199 0.000 -3.352) 4.009 8.414 ( 2.199 0.000 -3.352) 4.009 8.722 ( -7.606 0.000 -0.867) 7.655 8.722 ( 7.606 0.000 -0.867) 7.655 8.820 ( -6.025 0.000 3.522) 6.979 8.820 ( 6.025 0.000 3.522) 6.979 9.538 ( -3.131 0.000 -7.944) 8.539 9.538 ( 3.131 0.000 -7.944) 8.539 9.836 ( -7.370 0.000 -6.280) 9.683 9.836 ( 7.370 0.000 -6.280) 9.683 9.937 ( -5.253 0.000 -1.434) 5.445 9.937 ( 5.253 0.000 -1.434) 5.445 10.060 ( -5.319 0.000 4.015) 6.664 10.060 ( 5.319 0.000 4.015) 6.664 10.549 ( -3.539 0.000 -2.244) 4.190 10.549 ( 3.539 0.000 -2.244) 4.190 10.643 ( -5.416 0.000 -1.610) 5.650 10.643 ( 5.416 0.000 -1.610) 5.650 11.014 ( -8.668 0.000 -3.305) 9.277 11.014 ( 8.668 0.000 -3.305) 9.277 11.188 ( -9.157 0.000 2.999) 9.636 11.188 ( 9.157 0.000 2.999) 9.636 11.535 ( -6.838 0.000 -1.270) 6.955 11.535 ( 6.838 0.000 -1.270) 6.955 11.717 ( -6.496 0.000 -1.754) 6.729 11.717 ( 6.496 0.000 -1.754) 6.729 12.142 ( -6.813 0.000 0.023) 6.813 12.142 ( 6.813 0.000 0.023) 6.813 12.420 ( -3.898 0.000 -3.913) 5.523 12.420 ( 3.898 0.000 -3.913) 5.523 12.510 ( -3.853 0.000 -0.375) 3.871 12.510 ( 3.853 0.000 -0.375) 3.871 13.062 ( -4.942 0.000 -2.727) 5.645 13.062 ( 4.942 0.000 -2.727) 5.645 13.282 ( -6.624 0.000 1.017) 6.701 13.282 ( 6.624 0.000 1.017) 6.701 13.469 ( -3.999 0.000 -0.573) 4.040 13.469 ( 3.999 0.000 -0.573) 4.040 13.494 ( -0.133 0.000 -3.379) 3.382 13.494 ( 0.133 0.000 -3.379) 3.382 13.641 ( -3.873 0.000 -3.309) 5.094 13.641 ( 3.873 0.000 -3.309) 5.094 13.950 ( -0.804 0.000 7.189) 7.234 13.950 ( 0.804 0.000 7.189) 7.234 14.725 ( -2.533 0.000 2.227) 3.373 14.725 ( 2.533 0.000 2.227) 3.373 15.005 ( -5.519 0.000 -0.070) 5.519 15.005 ( 5.519 0.000 -0.070) 5.519 15.698 ( -2.672 0.000 1.879) 3.266 15.698 ( 2.672 0.000 1.879) 3.266 15.867 ( -0.477 0.000 -2.395) 2.442 15.867 ( 0.477 0.000 -2.395) 2.442 16.059 ( -1.188 0.000 -3.341) 3.546 16.059 ( 1.188 0.000 -3.341) 3.546 16.274 ( -2.660 0.000 -0.836) 2.788 16.274 ( 2.660 0.000 -0.836) 2.788 18.470 ( -5.469 0.000 -2.357) 5.955 18.470 ( 5.469 0.000 -2.357) 5.955 19.445 ( -4.884 0.000 -14.622) 15.416 19.445 ( 4.884 0.000 -14.622) 15.416 19.815 ( -1.598 0.000 1.514) 2.201 19.815 ( 1.598 0.000 1.514) 2.201 20.115 ( -3.610 0.000 -2.401) 4.335 20.115 ( 3.610 0.000 -2.401) 4.335 21.016 ( -15.938 0.000 5.097) 16.733 21.016 ( 15.938 0.000 5.097) 16.733 21.275 ( -19.513 0.000 15.557) 24.955 21.275 ( 19.513 0.000 15.557) 24.955 23.393 ( -0.445 0.000 2.236) 2.279 23.393 ( 0.445 0.000 2.236) 2.279 23.832 ( -0.156 0.000 -1.381) 1.390 23.832 ( 0.156 0.000 -1.381) 1.390 ======================= Grid point 56 (21/64) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 20.733 27.488) 34.431 1.045 ( 0.000 26.952 20.255) 33.715 1.486 ( 0.000 32.141 36.331) 48.508 1.668 ( 0.000 0.805 4.803) 4.870 2.055 ( 0.000 5.403 7.150) 8.962 2.059 ( 0.000 1.099 4.951) 5.072 2.136 ( 0.000 -1.669 7.197) 7.388 2.172 ( 0.000 -3.098 17.008) 17.287 2.766 ( 0.000 -18.876 17.046) 25.434 2.917 ( 0.000 2.023 -4.358) 4.805 2.938 ( 0.000 -10.950 5.344) 12.184 3.004 ( 0.000 -2.262 2.272) 3.206 3.149 ( 0.000 -2.119 5.958) 6.323 3.275 ( 0.000 6.976 -8.312) 10.851 3.318 ( 0.000 12.330 15.658) 19.930 3.372 ( 0.000 5.080 -5.963) 7.834 3.462 ( 0.000 -11.900 -2.528) 12.166 3.692 ( 0.000 2.604 10.318) 10.642 3.729 ( 0.000 -1.708 4.035) 4.381 3.803 ( 0.000 0.051 -1.170) 1.171 3.945 ( 0.000 8.938 -3.475) 9.590 4.035 ( 0.000 1.482 17.972) 18.033 4.040 ( 0.000 -0.641 4.377) 4.424 4.131 ( 0.000 3.937 1.316) 4.151 4.283 ( 0.000 -3.910 18.543) 18.951 4.483 ( 0.000 4.825 -0.023) 4.825 4.558 ( 0.000 1.856 6.934) 7.178 4.609 ( 0.000 8.273 -7.410) 11.107 4.707 ( 0.000 -2.184 -2.626) 3.415 4.885 ( 0.000 2.468 2.404) 3.445 4.910 ( 0.000 -9.726 1.097) 9.788 5.026 ( 0.000 -4.992 3.444) 6.065 5.746 ( 0.000 3.880 -5.729) 6.919 5.841 ( 0.000 0.276 3.236) 3.248 5.926 ( 0.000 -3.632 -9.227) 9.916 5.981 ( 0.000 -2.401 4.164) 4.806 6.091 ( 0.000 1.341 -11.017) 11.098 6.162 ( 0.000 5.760 7.174) 9.200 6.386 ( 0.000 -2.872 0.747) 2.967 6.673 ( 0.000 0.128 -1.069) 1.076 6.765 ( 0.000 -0.295 3.482) 3.494 7.275 ( 0.000 -15.634 -6.018) 16.752 7.289 ( 0.000 4.981 -3.713) 6.212 7.636 ( 0.000 4.915 6.054) 7.798 7.685 ( 0.000 0.757 -1.266) 1.475 7.870 ( 0.000 1.953 -2.544) 3.207 8.061 ( 0.000 -5.781 0.900) 5.851 8.163 ( 0.000 0.251 -9.179) 9.183 8.248 ( 0.000 -5.129 -1.881) 5.463 8.253 ( 0.000 -2.261 -4.790) 5.297 8.470 ( 0.000 1.976 -1.661) 2.582 8.482 ( 0.000 0.738 4.934) 4.989 8.982 ( 0.000 4.260 6.115) 7.452 9.260 ( 0.000 0.954 -2.978) 3.127 9.301 ( 0.000 0.726 1.378) 1.557 9.490 ( 0.000 8.400 -6.670) 10.725 9.702 ( 0.000 2.982 -7.058) 7.662 9.791 ( 0.000 3.758 -1.705) 4.127 9.905 ( 0.000 -0.970 -0.434) 1.063 10.018 ( 0.000 3.890 1.927) 4.341 10.103 ( 0.000 -1.438 -7.488) 7.624 10.300 ( 0.000 -4.790 -3.336) 5.837 10.418 ( 0.000 4.041 -7.471) 8.494 10.496 ( 0.000 -5.341 6.785) 8.636 10.544 ( 0.000 2.939 -8.360) 8.862 10.592 ( 0.000 6.689 -4.270) 7.936 10.745 ( 0.000 -7.687 2.059) 7.958 10.946 ( 0.000 -1.365 6.955) 7.087 10.958 ( 0.000 -2.914 -11.022) 11.401 11.052 ( 0.000 -3.588 -2.583) 4.421 11.330 ( 0.000 -2.165 -3.921) 4.479 11.451 ( 0.000 -11.785 -1.355) 11.863 11.775 ( 0.000 2.316 -4.964) 5.478 11.794 ( 0.000 -9.125 11.393) 14.596 12.120 ( 0.000 0.438 8.496) 8.507 12.137 ( 0.000 -7.924 6.033) 9.959 12.425 ( 0.000 4.713 -3.671) 5.974 12.467 ( 0.000 1.391 -2.745) 3.078 12.529 ( 0.000 -0.663 0.780) 1.023 12.765 ( 0.000 4.272 -0.530) 4.305 12.832 ( 0.000 3.138 2.146) 3.801 13.134 ( 0.000 5.170 -0.005) 5.170 13.187 ( 0.000 -2.476 1.434) 2.861 13.256 ( 0.000 6.074 1.229) 6.197 13.497 ( 0.000 1.473 0.638) 1.605 13.508 ( 0.000 0.234 -4.717) 4.723 13.560 ( 0.000 -2.313 -3.987) 4.609 13.569 ( 0.000 1.111 -5.922) 6.025 13.705 ( 0.000 -2.927 -1.820) 3.447 13.849 ( 0.000 -2.256 -3.883) 4.491 14.103 ( 0.000 -2.737 8.614) 9.038 14.105 ( 0.000 -9.770 9.299) 13.488 14.675 ( 0.000 0.954 1.711) 1.959 14.856 ( 0.000 -1.612 -0.834) 1.815 15.287 ( 0.000 18.416 -15.437) 24.030 15.301 ( 0.000 2.935 -2.124) 3.623 15.630 ( 0.000 0.672 1.422) 1.572 15.708 ( 0.000 1.808 -1.223) 2.182 15.812 ( 0.000 -3.083 1.161) 3.294 15.868 ( 0.000 2.491 3.279) 4.118 15.945 ( 0.000 -2.792 -2.864) 4.000 16.035 ( 0.000 2.080 -2.533) 3.278 16.153 ( 0.000 2.080 -1.734) 2.708 16.288 ( 0.000 -0.694 -3.508) 3.576 18.179 ( 0.000 2.043 3.189) 3.787 18.283 ( 0.000 0.568 0.848) 1.020 18.534 ( 0.000 6.730 -3.304) 7.497 19.225 ( 0.000 -6.125 -13.159) 14.515 19.802 ( 0.000 2.651 3.181) 4.141 19.917 ( 0.000 1.009 7.369) 7.438 20.190 ( 0.000 -5.286 1.307) 5.445 20.202 ( 0.000 -6.422 0.171) 6.425 20.389 ( 0.000 2.470 5.276) 5.825 20.470 ( 0.000 -4.147 10.695) 11.471 21.672 ( 0.000 5.404 6.587) 8.520 22.475 ( 0.000 -12.510 0.278) 12.513 23.387 ( 0.000 2.521 0.733) 2.625 23.413 ( 0.000 6.458 3.267) 7.237 23.714 ( 0.000 -4.018 -1.340) 4.236 23.831 ( 0.000 -0.657 -1.892) 2.003 ======================= Grid point 57 (22/64) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.285 18.677 19.627) 27.094 1.228 ( 15.985 25.540 12.203) 32.507 1.683 ( 2.225 0.478 5.161) 5.641 1.849 ( 20.219 16.514 24.987) 36.137 2.027 ( -3.108 0.090 8.345) 8.905 2.082 ( 1.650 2.802 4.651) 5.675 2.167 ( 0.445 -3.094 10.348) 10.810 2.280 ( 16.295 5.716 11.362) 20.671 2.696 ( -4.367 -9.297 13.993) 17.359 2.815 ( -9.136 2.546 1.271) 9.569 2.892 ( -9.218 -3.512 0.907) 9.906 2.944 ( -2.749 -4.479 3.320) 6.217 3.086 ( -1.285 -0.456 3.216) 3.493 3.202 ( -9.331 9.663 9.115) 16.234 3.317 ( 2.370 6.885 -3.833) 8.228 3.429 ( 2.306 -1.835 -2.574) 3.913 3.481 ( 3.731 -6.120 -0.654) 7.197 3.618 ( -5.637 1.369 1.545) 6.003 3.727 ( -4.386 3.059 8.358) 9.922 3.776 ( 1.410 -0.549 4.851) 5.082 3.925 ( -7.060 4.586 6.842) 10.849 3.971 ( -5.243 2.846 9.866) 11.529 4.084 ( 3.091 3.116 8.113) 9.224 4.135 ( 8.745 3.073 0.693) 9.295 4.350 ( 2.916 -4.694 17.392) 18.249 4.388 ( -6.378 1.479 0.002) 6.548 4.577 ( -0.003 4.967 -4.443) 6.664 4.607 ( -0.822 2.373 5.756) 6.280 4.771 ( 4.422 -0.717 1.936) 4.880 4.820 ( 2.274 -5.706 2.911) 6.797 4.963 ( 1.842 -4.712 3.892) 6.383 5.037 ( 1.349 -4.308 1.596) 4.788 5.678 ( -6.163 4.277 -10.322) 12.760 5.749 ( -4.298 1.086 11.020) 11.878 5.906 ( -5.450 -1.588 -2.708) 6.290 6.000 ( -2.556 3.273 -0.423) 4.174 6.073 ( -1.477 5.284 1.255) 5.629 6.196 ( 8.207 -1.352 -9.835) 12.881 6.499 ( 1.556 -6.566 -0.502) 6.766 6.740 ( 4.327 -1.292 -1.744) 4.841 6.827 ( 7.510 -2.798 0.235) 8.017 7.202 ( -5.754 -9.337 -3.158) 11.413 7.273 ( -4.002 0.224 -3.681) 5.442 7.547 ( -5.501 5.187 1.715) 7.753 7.702 ( -0.021 1.833 -3.844) 4.258 7.795 ( -10.430 -0.048 -0.486) 10.442 8.005 ( -2.640 -3.397 0.089) 4.303 8.048 ( -3.602 -1.854 -1.875) 4.464 8.273 ( 3.754 -3.162 -0.979) 5.005 8.378 ( 5.081 -1.511 -4.869) 7.197 8.483 ( 2.085 0.261 -0.441) 2.147 8.571 ( 6.580 -1.772 1.715) 7.026 8.947 ( -3.369 4.419 4.405) 7.091 9.166 ( -8.003 -0.279 0.854) 8.053 9.282 ( 0.600 3.055 -0.463) 3.148 9.480 ( 0.227 6.728 -6.540) 9.385 9.715 ( 0.990 0.518 -5.235) 5.353 9.817 ( 0.633 2.028 -6.263) 6.613 9.920 ( -0.066 1.686 0.356) 1.724 10.071 ( 9.236 1.733 0.927) 9.442 10.144 ( -7.876 -5.303 -5.217) 10.834 10.245 ( 4.810 -2.988 -3.044) 6.429 10.438 ( -0.484 6.287 -6.328) 8.934 10.438 ( -3.304 -4.015 -2.001) 5.571 10.611 ( 2.185 -1.247 0.065) 2.517 10.653 ( 4.537 4.265 -3.406) 7.098 10.741 ( -2.861 -2.838 -1.744) 4.391 10.892 ( 5.629 -5.225 0.942) 7.738 11.061 ( 2.213 -4.049 -4.544) 6.476 11.165 ( 11.508 1.472 -0.651) 11.620 11.374 ( 4.101 -1.314 -3.455) 5.521 11.516 ( 4.200 -9.054 -3.113) 10.455 11.679 ( -6.351 -2.982 6.414) 9.506 11.831 ( 1.065 -3.078 2.196) 3.928 12.059 ( -3.276 1.243 4.233) 5.495 12.156 ( 1.662 -4.903 5.486) 7.543 12.408 ( -1.882 4.894 -2.750) 5.920 12.464 ( -0.293 0.634 -3.116) 3.194 12.499 ( -2.047 -0.142 -0.088) 2.054 12.770 ( -3.641 1.780 0.957) 4.164 12.846 ( 4.916 4.525 -0.813) 6.730 13.142 ( 0.756 4.189 -0.583) 4.296 13.219 ( 2.145 -0.625 1.309) 2.589 13.253 ( 0.708 4.199 1.240) 4.435 13.473 ( -1.444 1.016 -3.344) 3.782 13.523 ( -2.268 -2.301 -2.921) 4.356 13.523 ( -0.687 1.012 -1.120) 1.659 13.569 ( -0.323 -0.207 -6.054) 6.066 13.661 ( -3.600 -0.250 -0.884) 3.715 13.786 ( -5.320 -1.841 -4.003) 6.907 14.047 ( -4.175 -4.103 8.439) 10.271 14.075 ( -2.747 -1.604 8.328) 8.914 14.674 ( 0.206 0.789 1.823) 1.997 14.830 ( -2.359 -1.256 -0.405) 2.703 15.059 ( -9.130 14.784 -0.669) 17.389 15.255 ( -5.316 2.403 -2.046) 6.182 15.636 ( 0.594 0.766 1.624) 1.891 15.759 ( 0.327 -1.470 0.010) 1.506 15.846 ( 1.599 -0.343 -2.945) 3.369 15.868 ( -0.052 0.340 -1.284) 1.329 15.984 ( 3.148 -1.087 -4.040) 5.236 16.040 ( 0.724 1.048 -1.191) 1.744 16.171 ( 2.258 1.781 -1.050) 3.062 16.314 ( 0.929 -0.681 -2.144) 2.434 18.234 ( 5.884 3.002 1.429) 6.758 18.527 ( 4.236 3.386 -3.168) 6.280 18.822 ( 30.144 -12.352 -18.480) 37.454 19.254 ( 3.635 -5.461 -14.289) 15.724 19.810 ( 0.778 2.905 2.692) 4.036 19.912 ( -0.622 0.885 6.857) 6.942 20.097 ( -4.549 -2.853 0.171) 5.372 20.218 ( -1.959 -4.687 0.205) 5.084 20.478 ( 9.575 0.639 3.836) 10.334 20.586 ( 10.709 -5.497 13.505) 18.091 21.583 ( -8.975 4.773 6.680) 12.164 22.181 ( -24.567 -4.115 9.100) 26.520 23.393 ( 0.755 3.048 1.350) 3.418 23.416 ( 0.527 5.647 2.628) 6.251 23.741 ( 1.851 -4.920 -1.801) 5.557 23.835 ( 0.072 -1.027 -1.986) 2.237 ======================= Grid point 58 (23/64) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 22.385 3.360 -1.604) 22.693 1.559 ( 14.008 13.679 0.269) 19.581 1.739 ( 3.876 -1.829 1.748) 4.629 1.935 ( -5.274 -2.735 7.367) 9.465 2.098 ( 4.981 6.630 4.450) 9.411 2.135 ( 3.985 -0.670 13.380) 13.977 2.176 ( 2.155 1.866 4.436) 5.273 2.487 ( -4.391 5.098 2.136) 7.060 2.580 ( -9.068 8.392 2.293) 12.567 2.698 ( -4.737 -4.308 7.556) 9.904 2.779 ( -0.283 0.301 4.699) 4.717 2.928 ( -8.515 7.563 5.637) 12.707 3.004 ( 12.290 7.444 8.201) 16.544 3.177 ( 6.071 -4.520 10.981) 13.337 3.364 ( 2.558 5.676 0.136) 6.228 3.420 ( -2.625 -7.104 3.018) 8.153 3.521 ( -1.416 5.492 -6.057) 8.298 3.544 ( -6.725 -2.006 12.667) 14.481 3.684 ( 8.441 -1.848 -2.153) 8.905 3.783 ( -2.826 4.553 6.881) 8.721 3.848 ( -6.010 3.073 7.501) 10.092 3.879 ( 1.332 2.399 1.158) 2.978 4.177 ( 5.336 0.948 11.412) 12.633 4.231 ( -1.665 0.233 5.380) 5.636 4.290 ( -0.631 5.003 8.921) 10.248 4.377 ( -1.164 -4.475 13.841) 14.593 4.502 ( -5.752 -1.891 7.630) 9.740 4.578 ( -2.179 1.788 -3.394) 4.412 4.825 ( 1.690 0.674 5.350) 5.651 4.937 ( -2.986 -0.098 9.609) 10.063 5.009 ( 11.546 -6.730 -4.188) 14.005 5.112 ( 5.472 -3.872 -3.981) 7.796 5.590 ( -1.347 0.119 -7.680) 7.798 5.695 ( -1.565 3.335 8.437) 9.206 5.780 ( -6.548 -1.380 -5.466) 8.640 5.869 ( -7.356 6.794 6.493) 11.935 6.091 ( 1.331 2.204 1.033) 2.774 6.270 ( -3.876 -2.390 -5.270) 6.965 6.553 ( 8.688 -5.920 1.870) 10.678 6.818 ( 4.190 -0.682 -2.061) 4.719 6.926 ( 0.357 -6.120 -1.838) 6.400 7.076 ( -7.075 -8.055 1.578) 10.836 7.156 ( -4.923 5.315 -2.616) 7.702 7.404 ( -12.153 6.351 -5.392) 14.734 7.584 ( -1.233 0.955 1.695) 2.304 7.746 ( -2.074 -0.439 -5.974) 6.339 7.940 ( -1.237 -2.575 2.805) 4.003 8.029 ( -0.940 -2.871 -0.754) 3.114 8.348 ( 3.634 -1.603 -1.881) 4.394 8.439 ( -0.017 -1.390 -4.456) 4.668 8.543 ( 5.473 -0.513 1.044) 5.596 8.678 ( 3.071 -4.019 1.640) 5.318 8.880 ( -2.318 4.940 1.669) 5.706 9.026 ( -6.456 3.384 1.018) 7.360 9.360 ( 7.622 -2.656 -3.256) 8.703 9.519 ( 3.378 3.717 -6.394) 8.131 9.749 ( 1.745 -1.445 -2.597) 3.446 9.794 ( -0.825 0.189 -5.009) 5.081 9.875 ( -9.575 -9.391 -4.578) 14.171 10.020 ( 1.113 8.011 -2.204) 8.383 10.177 ( -4.982 -2.675 1.287) 5.799 10.275 ( -0.508 -0.169 -4.263) 4.296 10.404 ( 4.500 0.557 0.267) 4.543 10.494 ( 5.252 3.454 -3.290) 7.095 10.611 ( -3.205 -5.192 -4.745) 7.730 10.664 ( -2.785 -1.802 -2.451) 4.125 10.791 ( 9.603 -0.886 2.352) 9.926 11.029 ( 3.915 -3.022 -5.003) 7.035 11.112 ( 3.845 1.003 1.183) 4.146 11.387 ( 6.348 4.003 3.638) 8.340 11.394 ( -3.395 -1.195 1.712) 3.986 11.522 ( 4.524 -1.037 -6.231) 7.770 11.658 ( 0.778 -3.528 1.590) 3.947 11.799 ( -4.345 -3.676 1.983) 6.027 12.050 ( 3.029 1.903 0.504) 3.612 12.216 ( 2.437 -2.388 -0.591) 3.462 12.364 ( -0.814 4.218 -0.204) 4.300 12.460 ( 0.044 -0.266 -3.288) 3.299 12.477 ( -0.345 -0.034 -1.748) 1.782 12.649 ( -7.926 1.589 0.669) 8.112 12.972 ( 6.846 3.015 -2.945) 8.039 13.148 ( -1.161 2.666 -3.358) 4.442 13.232 ( 1.709 4.695 2.154) 5.441 13.333 ( 5.993 -1.702 0.974) 6.306 13.422 ( -5.303 0.790 -1.323) 5.522 13.464 ( -0.575 0.068 -3.963) 4.005 13.513 ( -1.565 -1.492 -1.359) 2.554 13.562 ( -0.686 -0.211 -6.578) 6.617 13.600 ( -2.457 0.875 -0.487) 2.653 13.677 ( -5.257 -4.136 -4.225) 7.912 13.980 ( -2.366 -0.258 8.358) 8.690 14.013 ( -3.198 0.730 8.547) 9.155 14.689 ( 1.332 0.412 1.808) 2.283 14.777 ( -2.912 -0.526 0.622) 3.024 14.989 ( 0.375 6.936 0.974) 7.014 15.139 ( -6.014 1.917 -1.039) 6.397 15.658 ( 1.649 0.515 1.637) 2.380 15.740 ( -1.890 -0.963 1.795) 2.778 15.858 ( 0.355 0.220 -0.887) 0.980 15.871 ( 0.079 -0.163 -5.718) 5.721 16.029 ( 1.639 -0.057 -3.655) 4.006 16.059 ( 0.640 -0.514 -1.115) 1.384 16.227 ( 3.050 1.285 -0.601) 3.364 16.312 ( -1.002 -0.127 -0.962) 1.394 18.376 ( 8.037 4.205 -1.002) 9.126 18.568 ( -0.105 4.461 -3.220) 5.503 19.181 ( 9.621 -13.523 -14.129) 21.796 19.357 ( 3.703 -9.107 -17.489) 20.063 19.830 ( 1.140 3.273 2.228) 4.120 19.886 ( -1.962 1.711 4.944) 5.587 20.056 ( 0.800 -0.990 -1.776) 2.185 20.166 ( -3.119 -2.313 -2.273) 4.499 20.719 ( 14.762 0.013 5.308) 15.688 20.863 ( 17.621 -5.514 14.587) 23.531 21.345 ( -15.115 3.226 6.633) 16.819 21.693 ( -24.642 -0.701 13.414) 28.065 23.413 ( 1.129 3.294 1.446) 3.770 23.428 ( 0.494 4.511 1.808) 4.885 23.774 ( 1.586 -4.228 -1.514) 4.762 23.827 ( -0.885 -1.839 -1.627) 2.610 ======================= Grid point 59 (24/64) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -16.791 -2.920 -9.808) 19.664 1.532 ( 16.791 -2.920 -9.808) 19.664 1.837 ( -5.400 -1.923 3.367) 6.648 1.837 ( 5.400 -1.923 3.367) 6.648 2.146 ( -0.873 1.377 8.762) 8.912 2.146 ( 0.873 1.377 8.762) 8.912 2.312 ( -14.220 10.961 5.025) 18.644 2.312 ( 14.220 10.961 5.025) 18.644 2.568 ( -10.536 3.740 -0.549) 11.194 2.568 ( 10.536 3.740 -0.549) 11.194 2.776 ( -2.768 4.464 6.029) 7.996 2.776 ( 2.768 4.464 6.029) 7.996 3.292 ( -3.515 -4.598 3.310) 6.667 3.292 ( 3.515 -4.598 3.310) 6.667 3.340 ( -1.046 -1.422 13.870) 13.982 3.340 ( 1.046 -1.422 13.870) 13.982 3.494 ( -2.708 3.682 0.001) 4.571 3.494 ( 2.708 3.682 0.001) 4.571 3.747 ( -1.808 5.097 8.008) 9.664 3.747 ( 1.808 5.097 8.008) 9.664 3.882 ( -5.738 3.247 -3.795) 7.607 3.882 ( 5.738 3.247 -3.795) 7.607 4.197 ( -3.832 1.623 14.594) 15.176 4.197 ( 3.832 1.623 14.594) 15.176 4.306 ( -3.888 -1.805 7.404) 8.556 4.306 ( 3.888 -1.805 7.404) 8.556 4.505 ( -4.248 -0.800 6.354) 7.685 4.505 ( 4.248 -0.800 6.354) 7.685 4.866 ( -2.995 1.285 6.952) 7.678 4.866 ( 2.995 1.285 6.952) 7.678 5.163 ( -2.149 -4.917 -6.749) 8.622 5.163 ( 2.149 -4.917 -6.749) 8.622 5.629 ( -4.477 -2.182 -3.971) 6.370 5.629 ( 4.477 -2.182 -3.971) 6.370 5.756 ( -3.844 4.944 5.044) 8.041 5.756 ( 3.844 4.944 5.044) 8.041 6.149 ( -5.547 0.412 2.262) 6.004 6.149 ( 5.547 0.412 2.262) 6.004 6.774 ( -11.340 -8.851 -0.780) 14.406 6.774 ( 11.340 -8.851 -0.780) 14.406 6.937 ( -5.686 -0.655 0.235) 5.728 6.937 ( 5.686 -0.655 0.235) 5.728 7.196 ( -7.646 5.424 -2.992) 9.840 7.196 ( 7.646 5.424 -2.992) 9.840 7.646 ( -5.873 1.279 -3.229) 6.823 7.646 ( 5.873 1.279 -3.229) 6.823 7.982 ( -3.503 -3.314 0.875) 4.901 7.982 ( 3.503 -3.314 0.875) 4.901 8.407 ( -2.524 -0.700 -3.074) 4.038 8.407 ( 2.524 -0.700 -3.074) 4.038 8.655 ( -4.734 -3.728 1.646) 6.246 8.655 ( 4.734 -3.728 1.646) 6.246 8.911 ( -5.000 5.936 0.371) 7.770 8.911 ( 5.000 5.936 0.371) 7.770 9.526 ( -6.333 -3.313 -6.802) 9.866 9.526 ( 6.333 -3.313 -6.802) 9.866 9.725 ( -1.363 -3.742 -4.011) 5.653 9.725 ( 1.363 -3.742 -4.011) 5.653 9.912 ( -9.378 -2.328 0.213) 9.665 9.912 ( 9.378 -2.328 0.213) 9.665 10.201 ( -5.547 8.074 -2.155) 10.030 10.201 ( 5.547 8.074 -2.155) 10.030 10.517 ( -5.630 -4.481 -2.080) 7.490 10.517 ( 5.630 -4.481 -2.080) 7.490 10.601 ( -4.617 -0.937 -2.720) 5.439 10.601 ( 4.617 -0.937 -2.720) 5.439 10.982 ( -8.070 -2.832 -2.187) 8.828 10.982 ( 8.070 -2.832 -2.187) 8.828 11.219 ( -7.232 2.227 3.883) 8.506 11.219 ( 7.232 2.227 3.883) 8.506 11.564 ( -5.845 2.113 -0.942) 6.287 11.564 ( 5.845 2.113 -0.942) 6.287 11.687 ( -6.141 -2.761 -0.461) 6.749 11.687 ( 6.141 -2.761 -0.461) 6.749 12.155 ( -6.434 1.291 -1.082) 6.651 12.155 ( 6.434 1.291 -1.082) 6.651 12.435 ( -4.140 1.189 -2.934) 5.212 12.435 ( 4.140 1.189 -2.934) 5.212 12.506 ( -4.857 -0.458 -0.025) 4.878 12.506 ( 4.857 -0.458 -0.025) 4.878 13.086 ( -4.798 2.652 -3.888) 6.722 13.086 ( 4.798 2.652 -3.888) 6.722 13.308 ( -5.497 2.633 1.024) 6.180 13.308 ( 5.497 2.633 1.024) 6.180 13.458 ( -4.165 -1.285 -0.950) 4.460 13.458 ( 4.165 -1.285 -0.950) 4.460 13.489 ( -1.483 -0.629 -3.531) 3.881 13.489 ( 1.483 -0.629 -3.531) 3.881 13.609 ( -2.177 -2.742 -4.244) 5.501 13.609 ( 2.177 -2.742 -4.244) 5.501 13.968 ( -1.146 1.454 8.999) 9.188 13.968 ( 1.146 1.454 8.999) 9.188 14.725 ( -2.391 0.087 1.463) 2.804 14.725 ( 2.391 0.087 1.463) 2.804 15.038 ( -4.230 3.120 -0.019) 5.256 15.038 ( 4.230 3.120 -0.019) 5.256 15.697 ( -2.295 -0.052 1.796) 2.915 15.697 ( 2.295 -0.052 1.796) 2.915 15.867 ( -0.434 -0.005 -3.454) 3.482 15.867 ( 0.434 -0.005 -3.454) 3.482 16.055 ( -0.966 -0.408 -2.142) 2.384 16.055 ( 0.966 -0.408 -2.142) 2.384 16.279 ( -2.291 0.526 -0.637) 2.436 16.279 ( 2.291 0.526 -0.637) 2.436 18.513 ( -5.460 4.550 -2.862) 7.662 18.513 ( 5.460 4.550 -2.862) 7.662 19.327 ( -5.719 -11.101 -13.028) 18.047 19.327 ( 5.719 -11.101 -13.028) 18.047 19.852 ( -1.371 2.940 3.191) 4.550 19.852 ( 1.371 2.940 3.191) 4.550 20.103 ( -3.236 -1.188 -3.474) 4.894 20.103 ( 3.236 -1.188 -3.474) 4.894 21.028 ( -16.837 1.122 7.599) 18.506 21.028 ( 16.837 1.122 7.599) 18.506 21.246 ( -21.658 -2.606 12.783) 25.284 21.246 ( 21.658 -2.606 12.783) 25.284 23.430 ( -0.426 3.705 1.441) 3.998 23.430 ( 0.426 3.705 1.441) 3.998 23.803 ( -1.452 -2.975 -1.382) 3.588 23.803 ( 1.452 -2.975 -1.382) 3.588 ======================= Grid point 63 (25/64) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 0.000 15.634 25.677) 30.062 1.438 ( 0.000 23.241 15.804) 28.105 1.674 ( 0.000 -0.583 11.352) 11.367 1.953 ( 0.000 7.313 1.046) 7.388 2.038 ( 0.000 -7.210 7.140) 10.147 2.103 ( 0.000 -2.710 8.754) 9.164 2.214 ( 0.000 10.401 9.177) 13.871 2.371 ( 0.000 30.942 12.429) 33.345 2.532 ( 0.000 -6.191 14.598) 15.856 2.717 ( 0.000 -12.084 9.518) 15.383 2.836 ( 0.000 -9.481 5.998) 11.219 3.028 ( 0.000 7.085 -4.006) 8.139 3.204 ( 0.000 6.740 0.349) 6.749 3.239 ( 0.000 -11.539 -2.843) 11.885 3.365 ( 0.000 1.660 -8.814) 8.969 3.433 ( 0.000 -1.424 -7.941) 8.067 3.591 ( 0.000 15.444 15.736) 22.049 3.722 ( 0.000 2.012 9.353) 9.567 3.774 ( 0.000 5.098 9.526) 10.805 3.799 ( 0.000 0.018 -2.545) 2.545 3.967 ( 0.000 -3.383 2.994) 4.517 4.057 ( 0.000 1.092 12.463) 12.511 4.059 ( 0.000 -4.899 5.745) 7.551 4.199 ( 0.000 -3.070 12.858) 13.219 4.248 ( 0.000 9.098 -1.157) 9.171 4.572 ( 0.000 3.995 1.417) 4.239 4.577 ( 0.000 -1.341 3.078) 3.358 4.642 ( 0.000 -3.703 -4.293) 5.669 4.696 ( 0.000 1.885 -3.106) 3.633 4.715 ( 0.000 -8.578 2.957) 9.073 4.865 ( 0.000 -3.816 3.461) 5.152 4.909 ( 0.000 -6.236 6.765) 9.200 5.808 ( 0.000 3.804 0.834) 3.894 5.868 ( 0.000 -2.181 -7.032) 7.363 5.923 ( 0.000 -0.063 0.031) 0.070 5.998 ( 0.000 10.246 -3.602) 10.860 6.063 ( 0.000 -4.330 -3.493) 5.563 6.303 ( 0.000 9.453 5.358) 10.866 6.324 ( 0.000 -4.034 -4.555) 6.084 6.664 ( 0.000 -1.942 -2.323) 3.027 6.759 ( 0.000 -0.185 3.330) 3.335 6.956 ( 0.000 -16.612 -2.200) 16.758 7.416 ( 0.000 8.199 -1.608) 8.355 7.662 ( 0.000 -2.929 1.722) 3.398 7.709 ( 0.000 3.709 9.263) 9.978 7.899 ( 0.000 -0.186 -3.157) 3.163 7.946 ( 0.000 -4.480 4.401) 6.280 8.134 ( 0.000 -3.061 -10.929) 11.350 8.156 ( 0.000 -3.417 -3.773) 5.091 8.167 ( 0.000 -5.985 -4.180) 7.300 8.500 ( 0.000 1.197 0.984) 1.550 8.503 ( 0.000 1.073 2.411) 2.639 9.059 ( 0.000 3.813 3.135) 4.937 9.208 ( 0.000 -4.108 -0.911) 4.208 9.413 ( 0.000 8.900 -6.278) 10.892 9.683 ( 0.000 11.299 -6.244) 12.909 9.760 ( 0.000 3.729 -6.709) 7.676 9.779 ( 0.000 -7.542 -8.944) 11.699 9.946 ( 0.000 5.974 2.105) 6.334 10.014 ( 0.000 -7.569 -6.313) 9.856 10.150 ( 0.000 5.148 -1.104) 5.265 10.204 ( 0.000 0.325 1.735) 1.765 10.374 ( 0.000 -6.593 9.020) 11.173 10.486 ( 0.000 2.124 -14.721) 14.874 10.553 ( 0.000 0.007 -10.778) 10.778 10.612 ( 0.000 -7.969 -0.159) 7.971 10.807 ( 0.000 12.764 -2.132) 12.941 10.924 ( 0.000 -0.562 4.393) 4.429 10.932 ( 0.000 1.468 -6.385) 6.551 10.993 ( 0.000 -3.495 -0.640) 3.553 11.245 ( 0.000 -9.333 -0.382) 9.341 11.262 ( 0.000 -4.672 -0.817) 4.743 11.651 ( 0.000 -5.516 13.559) 14.638 11.738 ( 0.000 -5.834 3.439) 6.773 12.041 ( 0.000 -1.758 3.444) 3.867 12.084 ( 0.000 -2.572 7.264) 7.706 12.472 ( 0.000 -0.063 -2.037) 2.038 12.489 ( 0.000 -0.245 -1.909) 1.924 12.579 ( 0.000 6.958 -1.118) 7.048 12.791 ( 0.000 -2.440 -0.127) 2.443 12.914 ( 0.000 6.016 0.850) 6.075 13.123 ( 0.000 -4.339 0.736) 4.401 13.301 ( 0.000 10.637 -4.842) 11.687 13.379 ( 0.000 6.826 0.057) 6.826 13.490 ( 0.000 -2.090 -5.123) 5.533 13.527 ( 0.000 1.437 -0.577) 1.549 13.538 ( 0.000 -0.340 -4.512) 4.525 13.612 ( 0.000 3.825 -1.748) 4.205 13.661 ( 0.000 -2.938 -5.294) 6.054 13.799 ( 0.000 -3.747 -1.664) 4.100 13.986 ( 0.000 -3.726 9.010) 9.750 14.038 ( 0.000 -3.920 6.553) 7.636 14.705 ( 0.000 2.266 0.106) 2.269 14.813 ( 0.000 -2.813 -1.070) 3.010 15.369 ( 0.000 3.932 -1.339) 4.153 15.449 ( 0.000 2.058 -7.832) 8.098 15.651 ( 0.000 1.618 1.019) 1.912 15.749 ( 0.000 -3.412 1.202) 3.618 15.754 ( 0.000 2.979 -0.575) 3.034 15.885 ( 0.000 -3.589 -1.369) 3.841 15.932 ( 0.000 4.215 1.792) 4.580 16.055 ( 0.000 -0.561 -2.015) 2.091 16.191 ( 0.000 2.098 -1.727) 2.717 16.268 ( 0.000 -1.517 -3.105) 3.456 18.229 ( 0.000 2.964 2.286) 3.743 18.291 ( 0.000 0.017 1.325) 1.325 18.682 ( 0.000 9.021 -4.376) 10.027 19.069 ( 0.000 -10.079 -10.592) 14.621 19.860 ( 0.000 3.356 5.716) 6.629 19.938 ( 0.000 0.811 10.819) 10.850 20.090 ( 0.000 -4.916 -4.505) 6.668 20.100 ( 0.000 -3.940 0.053) 3.940 20.415 ( 0.000 0.542 6.808) 6.829 20.427 ( 0.000 -1.025 9.085) 9.143 21.811 ( 0.000 9.232 5.081) 10.538 22.236 ( 0.000 -12.716 1.996) 12.872 23.446 ( 0.000 3.869 -0.214) 3.875 23.558 ( 0.000 8.133 0.298) 8.138 23.625 ( 0.000 -5.142 -1.206) 5.281 23.792 ( 0.000 -3.573 -1.834) 4.016 ======================= Grid point 64 (26/64) ======================= q-point: ( 0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -5.922 21.105 12.277) 25.124 1.621 ( 8.538 15.108 15.074) 22.986 1.671 ( 0.893 -0.735 6.791) 6.888 1.960 ( -2.829 -1.061 6.815) 7.455 2.067 ( 4.217 -3.542 7.924) 9.649 2.080 ( -1.340 -2.981 7.154) 7.865 2.223 ( 2.426 9.879 5.102) 11.381 2.542 ( 8.283 10.819 9.049) 16.357 2.599 ( 9.518 2.213 13.393) 16.578 2.756 ( 1.273 -3.886 7.419) 8.471 2.839 ( -0.519 -6.550 6.195) 9.031 2.933 ( -5.569 9.706 -0.968) 11.232 3.091 ( -4.285 -0.481 -0.696) 4.368 3.290 ( 2.278 -2.452 -1.089) 3.519 3.391 ( -4.761 5.653 1.140) 7.478 3.423 ( 2.050 1.993 -8.068) 8.559 3.516 ( -2.105 6.280 5.018) 8.310 3.682 ( -5.159 4.430 7.466) 10.099 3.756 ( -2.725 0.161 6.341) 6.904 3.778 ( 0.272 0.533 5.308) 5.342 3.988 ( -1.045 2.808 7.583) 8.154 4.071 ( -7.334 4.328 3.215) 9.102 4.079 ( 4.649 -0.602 11.250) 12.188 4.209 ( 7.043 2.393 3.569) 8.250 4.274 ( 1.536 -2.386 12.788) 13.099 4.415 ( -7.729 -0.485 -1.228) 7.841 4.592 ( -8.324 -5.200 1.910) 9.999 4.623 ( 4.029 -7.524 0.253) 8.538 4.677 ( -0.307 3.215 0.403) 3.255 4.773 ( 5.958 0.395 2.229) 6.374 4.882 ( 2.414 -4.024 6.305) 7.860 4.925 ( 2.171 -6.641 4.032) 8.067 5.762 ( -6.422 3.508 -10.303) 12.637 5.832 ( -2.600 6.948 5.439) 9.199 5.862 ( -5.847 -2.667 -3.505) 7.320 6.030 ( 5.048 0.907 -4.329) 6.711 6.156 ( 3.380 -1.150 -2.973) 4.646 6.240 ( -4.196 9.859 3.590) 11.300 6.366 ( 1.839 -5.993 0.292) 6.275 6.707 ( 3.362 -4.023 -3.286) 6.188 6.800 ( 3.868 -0.542 2.148) 4.457 6.931 ( -1.699 -13.701 0.977) 13.841 7.378 ( -4.477 7.599 -1.266) 8.910 7.616 ( -3.127 1.502 1.400) 3.740 7.701 ( -1.515 -2.244 4.988) 5.675 7.791 ( -10.913 1.103 -5.582) 12.307 7.926 ( -1.754 -4.493 3.246) 5.813 7.997 ( -3.647 -3.527 -4.471) 6.763 8.223 ( 5.512 -1.382 -2.443) 6.186 8.310 ( 6.411 -4.833 -6.128) 10.100 8.508 ( 1.316 1.633 1.256) 2.445 8.544 ( 3.288 -1.046 2.588) 4.313 9.034 ( -2.712 4.434 2.080) 5.598 9.153 ( -4.370 -1.448 -0.121) 4.605 9.379 ( -2.886 7.267 -3.749) 8.671 9.593 ( -4.722 3.301 -6.634) 8.787 9.767 ( 0.052 4.255 -7.011) 8.202 9.798 ( -0.746 -1.685 -8.103) 8.310 9.931 ( -3.750 -1.801 -3.323) 5.324 10.030 ( 2.329 -6.718 -2.581) 7.564 10.149 ( 1.469 4.683 -2.824) 5.662 10.207 ( -0.201 1.006 1.685) 1.973 10.366 ( -0.405 -2.797 1.938) 3.426 10.496 ( 0.208 -1.612 -11.231) 11.348 10.579 ( 2.499 -0.876 0.183) 2.654 10.654 ( 2.508 -3.075 -4.500) 6.000 10.762 ( -3.752 3.677 -1.692) 5.519 10.869 ( 4.348 1.621 -2.355) 5.204 11.043 ( 6.186 2.653 2.527) 7.190 11.192 ( 14.461 1.945 -1.663) 14.685 11.324 ( 6.152 -4.520 -2.993) 8.199 11.357 ( 8.459 -6.739 -1.886) 10.978 11.596 ( -4.714 -4.022 11.930) 13.443 11.730 ( -0.956 -7.457 5.865) 9.535 12.051 ( 0.816 -0.335 2.100) 2.277 12.095 ( 1.876 -2.298 4.770) 5.617 12.457 ( -1.245 -0.384 -1.992) 2.380 12.476 ( -0.916 -0.421 -2.041) 2.276 12.551 ( -2.851 7.067 -0.884) 7.671 12.763 ( -3.351 -2.748 0.546) 4.368 12.950 ( 3.835 6.143 -0.939) 7.303 13.159 ( 3.523 -4.228 0.286) 5.511 13.288 ( -1.151 9.420 -4.595) 10.544 13.366 ( -1.321 6.449 -0.030) 6.583 13.477 ( -1.321 -2.186 -5.369) 5.946 13.497 ( -2.569 1.113 -3.294) 4.323 13.538 ( -0.191 0.373 -1.926) 1.971 13.586 ( -2.281 2.204 -3.019) 4.379 13.639 ( -2.122 -2.737 -4.412) 5.609 13.734 ( -6.095 -3.751 -1.675) 7.350 13.983 ( -0.239 -1.968 9.760) 9.959 14.035 ( -0.509 -2.650 7.633) 8.096 14.702 ( -0.139 2.077 0.191) 2.091 14.796 ( -1.571 -2.318 -0.795) 2.911 15.262 ( -10.507 6.594 -1.112) 12.455 15.306 ( -7.242 2.586 -1.354) 7.808 15.657 ( 0.413 1.426 1.280) 1.961 15.725 ( -0.203 -1.958 0.746) 2.105 15.835 ( 2.981 -0.451 -4.634) 5.529 15.866 ( -0.799 -1.028 -1.367) 1.888 15.984 ( 3.328 1.484 -0.494) 3.678 16.051 ( -0.234 -0.316 -0.956) 1.034 16.212 ( 2.122 2.412 -1.131) 3.406 16.293 ( 1.452 -1.539 -1.603) 2.654 18.312 ( 8.022 5.089 0.524) 9.514 18.531 ( 17.330 -5.360 -4.974) 18.810 18.724 ( 4.923 4.604 -4.664) 8.197 19.093 ( 2.420 -10.766 -10.884) 15.499 19.870 ( 0.965 3.196 5.868) 6.751 19.931 ( -0.581 0.823 10.172) 10.222 20.047 ( -1.778 -1.747 -3.882) 4.614 20.127 ( 0.348 -4.648 -3.008) 5.547 20.486 ( 8.106 0.234 6.845) 10.612 20.517 ( 8.916 -2.169 12.396) 15.423 21.706 ( -10.591 8.082 5.410) 14.379 22.052 ( -17.446 -8.890 4.546) 20.101 23.458 ( 1.186 4.077 -0.096) 4.247 23.551 ( -0.470 7.755 0.195) 7.772 23.644 ( 1.646 -5.311 -1.204) 5.689 23.788 ( -0.602 -3.952 -1.759) 4.368 ======================= Grid point 65 (27/64) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 9.091 12.695 -2.317) 15.785 1.651 ( -1.158 -3.928 -2.722) 4.917 1.749 ( 0.174 3.513 -0.352) 3.535 1.871 ( -4.930 -3.841 5.674) 8.441 2.108 ( 4.956 0.046 14.607) 15.425 2.190 ( 7.581 1.427 9.111) 11.938 2.269 ( 1.122 5.299 3.891) 6.669 2.576 ( -11.766 -1.172 1.481) 11.917 2.645 ( 2.864 3.023 6.331) 7.578 2.736 ( 1.133 7.852 2.782) 8.407 2.802 ( 1.744 1.036 3.022) 3.640 3.024 ( 7.463 -3.675 8.739) 12.065 3.149 ( 3.951 5.589 1.427) 6.992 3.168 ( -10.049 9.603 4.272) 14.542 3.321 ( -2.275 -1.309 5.135) 5.767 3.480 ( -7.043 0.819 9.921) 12.195 3.502 ( 4.052 2.115 -2.880) 5.403 3.624 ( -5.255 0.581 -4.979) 7.263 3.699 ( 11.611 7.805 3.192) 14.350 3.852 ( 4.404 1.972 7.352) 8.794 3.937 ( -4.289 6.595 2.736) 8.329 3.957 ( -1.898 6.673 5.997) 9.170 4.159 ( 1.526 -2.141 11.473) 11.771 4.233 ( -0.585 -0.481 8.510) 8.544 4.290 ( -0.559 -4.235 17.497) 18.010 4.390 ( 0.692 1.557 4.062) 4.405 4.450 ( -4.213 -1.655 1.400) 4.738 4.640 ( -3.696 4.200 -0.754) 5.645 4.803 ( 12.295 -12.605 -1.481) 17.670 4.847 ( 2.474 1.481 7.207) 7.762 4.917 ( 0.331 -1.773 9.093) 9.270 5.008 ( 4.585 -7.568 -3.662) 9.576 5.610 ( -6.488 1.748 -8.511) 10.844 5.711 ( -8.838 -3.106 -5.088) 10.661 5.829 ( 1.488 8.191 4.010) 9.240 6.024 ( -5.781 8.212 4.790) 11.127 6.151 ( -0.676 3.683 1.611) 4.077 6.203 ( -2.424 -3.917 -3.959) 6.073 6.426 ( 6.076 -5.956 4.993) 9.865 6.711 ( -4.308 -12.527 -1.684) 13.353 6.865 ( 3.215 0.434 1.287) 3.490 6.941 ( 1.582 -4.295 2.944) 5.442 7.278 ( -3.669 7.139 -1.691) 8.203 7.481 ( -11.938 0.341 -4.580) 12.791 7.622 ( -0.018 2.998 -0.772) 3.096 7.708 ( -1.566 -2.503 -4.614) 5.478 7.893 ( -0.757 -2.001 3.469) 4.076 7.957 ( -1.788 -4.374 -1.034) 4.837 8.326 ( 4.689 -0.238 -2.587) 5.361 8.397 ( 2.224 -2.913 -3.583) 5.125 8.549 ( 3.045 0.969 1.838) 3.687 8.611 ( 2.715 -2.807 2.457) 4.614 8.973 ( -2.120 4.707 0.684) 5.207 9.074 ( -3.979 1.166 -0.621) 4.192 9.348 ( 0.799 1.378 -1.525) 2.205 9.525 ( -3.847 -4.769 -4.771) 7.765 9.745 ( -2.607 1.152 -5.958) 6.605 9.779 ( 1.452 4.357 -4.937) 6.743 9.840 ( -3.727 0.615 -9.729) 10.437 10.064 ( -7.776 -4.701 -3.146) 9.616 10.112 ( 2.730 -4.041 -0.964) 4.971 10.221 ( 1.433 -3.049 -5.162) 6.165 10.414 ( 4.771 2.808 0.653) 5.574 10.532 ( 2.577 -1.649 -8.151) 8.706 10.612 ( -0.007 4.854 2.882) 5.645 10.646 ( -1.564 -0.156 -0.867) 1.795 10.783 ( 5.583 1.140 -1.512) 5.895 10.957 ( 2.842 -4.537 -3.728) 6.524 11.163 ( 4.847 3.892 3.694) 7.230 11.373 ( -6.683 -3.780 3.108) 8.283 11.448 ( 10.663 2.324 -1.492) 11.015 11.482 ( 8.835 0.578 1.228) 8.938 11.588 ( 3.764 -3.361 1.910) 5.395 11.703 ( -1.880 -6.376 5.723) 8.772 12.085 ( 3.593 1.855 -0.362) 4.060 12.168 ( 4.677 -2.573 -1.148) 5.460 12.441 ( -0.083 -0.504 -1.914) 1.981 12.461 ( -0.767 0.064 -1.985) 2.129 12.481 ( -3.426 5.076 0.246) 6.129 12.654 ( -7.742 -1.584 0.792) 7.942 13.050 ( 5.956 5.192 -3.587) 8.678 13.220 ( -0.088 1.635 -4.848) 5.117 13.288 ( 3.554 1.208 -0.983) 3.880 13.341 ( -0.526 4.677 0.506) 4.734 13.429 ( -3.136 -0.373 -3.715) 4.876 13.461 ( -0.978 -0.266 -5.587) 5.678 13.510 ( -3.139 0.958 -0.614) 3.338 13.555 ( -0.234 -0.615 -5.365) 5.405 13.592 ( -7.808 -2.947 -1.118) 8.421 13.594 ( -2.302 -2.892 -3.805) 5.305 13.980 ( 0.047 0.389 11.062) 11.069 14.015 ( -1.394 -0.608 10.034) 10.149 14.706 ( 0.721 1.389 0.307) 1.595 14.762 ( -1.836 -1.134 -0.176) 2.165 15.116 ( -3.999 5.628 0.362) 6.914 15.177 ( -5.804 1.604 -0.445) 6.038 15.672 ( 1.096 0.954 1.421) 2.033 15.717 ( -0.790 -1.324 1.449) 2.115 15.860 ( 0.174 -0.069 -3.515) 3.520 15.865 ( 0.535 -0.395 -6.359) 6.394 16.030 ( 1.426 0.297 -1.028) 1.783 16.050 ( 0.090 -0.437 0.670) 0.805 16.256 ( 2.159 1.742 -0.343) 2.795 16.305 ( -0.182 -0.630 -0.466) 0.805 18.491 ( 9.328 7.914 -2.342) 12.455 18.687 ( 0.699 7.933 -5.387) 9.615 18.916 ( 11.316 -13.361 -8.651) 19.529 19.136 ( 0.664 -13.245 -11.041) 17.256 19.888 ( 0.718 2.523 6.791) 7.280 19.917 ( -0.832 1.302 8.697) 8.833 20.041 ( 1.171 -0.208 -6.462) 6.571 20.113 ( -1.473 -3.008 -5.026) 6.040 20.719 ( 15.502 0.154 8.562) 17.711 20.774 ( 17.684 -3.524 15.333) 23.670 21.429 ( -17.315 5.483 5.594) 19.004 21.642 ( -23.493 -4.545 7.901) 25.199 23.487 ( 1.729 4.620 -0.008) 4.933 23.540 ( -0.770 6.760 0.049) 6.803 23.683 ( 2.290 -5.288 -1.239) 5.894 23.766 ( -1.609 -4.468 -1.524) 4.987 ======================= Grid point 66 (28/64) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -12.440 1.229 -11.685) 17.112 1.519 ( 12.440 1.229 -11.685) 17.112 1.776 ( -4.222 -3.765 2.791) 6.308 1.776 ( 4.222 -3.765 2.791) 6.308 2.194 ( -4.253 3.885 9.647) 11.236 2.194 ( 4.253 3.885 9.647) 11.236 2.394 ( -9.150 -3.020 7.682) 12.323 2.394 ( 9.150 -3.020 7.682) 12.323 2.708 ( -4.348 9.098 -0.067) 10.084 2.708 ( 4.348 9.098 -0.067) 10.084 2.912 ( -8.142 9.607 5.800) 13.864 2.912 ( 8.142 9.607 5.800) 13.864 3.210 ( -3.360 -3.169 0.310) 4.629 3.210 ( 3.360 -3.169 0.310) 4.629 3.288 ( -6.815 -4.382 14.264) 16.405 3.288 ( 6.815 -4.382 14.264) 16.405 3.569 ( -2.136 3.440 -5.923) 7.174 3.569 ( 2.136 3.440 -5.923) 7.174 3.860 ( -1.255 6.223 5.537) 8.424 3.860 ( 1.255 6.223 5.537) 8.424 3.961 ( -1.941 3.831 -0.307) 4.305 3.961 ( 1.941 3.831 -0.307) 4.305 4.235 ( -9.783 2.533 11.558) 15.353 4.235 ( 9.783 2.533 11.558) 15.353 4.262 ( -1.694 -2.413 15.662) 15.938 4.262 ( 1.694 -2.413 15.662) 15.938 4.526 ( -6.729 4.031 0.395) 7.854 4.526 ( 6.729 4.031 0.395) 7.854 4.889 ( -1.977 1.024 8.826) 9.103 4.889 ( 1.977 1.024 8.826) 9.103 5.008 ( -5.913 -11.525 -4.073) 13.579 5.008 ( 5.913 -11.525 -4.073) 13.579 5.576 ( -3.369 -2.911 -6.578) 7.943 5.576 ( 3.369 -2.911 -6.578) 7.943 5.900 ( -5.817 10.021 5.182) 12.693 5.900 ( 5.817 10.021 5.182) 12.693 6.153 ( -1.427 -0.297 1.105) 1.829 6.153 ( 1.427 -0.297 1.105) 1.829 6.577 ( -8.416 -11.184 3.037) 14.323 6.577 ( 8.416 -11.184 3.037) 14.323 6.927 ( -2.726 -0.226 1.184) 2.981 6.927 ( 2.726 -0.226 1.184) 2.981 7.300 ( -5.956 4.929 -3.584) 8.522 7.300 ( 5.956 4.929 -3.584) 8.522 7.657 ( -3.002 -0.396 -4.321) 5.276 7.657 ( 3.002 -0.396 -4.321) 5.276 7.914 ( -2.369 -3.194 1.588) 4.282 7.914 ( 2.369 -3.194 1.588) 4.282 8.394 ( -2.135 -0.532 -2.716) 3.495 8.394 ( 2.135 -0.532 -2.716) 3.495 8.612 ( -2.521 -1.043 2.486) 3.691 8.612 ( 2.521 -1.043 2.486) 3.691 8.994 ( -3.761 2.634 -0.806) 4.662 8.994 ( 3.761 2.634 -0.806) 4.662 9.419 ( -5.897 -5.620 -1.976) 8.382 9.419 ( 5.897 -5.620 -1.976) 8.382 9.753 ( -2.848 4.084 -8.492) 9.844 9.753 ( 2.848 4.084 -8.492) 9.844 9.890 ( -7.736 0.683 -2.482) 8.153 9.890 ( 7.736 0.683 -2.482) 8.153 10.192 ( -3.718 -7.790 -5.476) 10.222 10.192 ( 3.718 -7.790 -5.476) 10.222 10.517 ( -4.489 3.645 -1.335) 5.935 10.517 ( 4.489 3.645 -1.335) 5.935 10.618 ( -1.324 2.760 -1.361) 3.350 10.618 ( 1.324 2.760 -1.361) 3.350 10.923 ( -6.559 -3.166 -1.655) 7.469 10.923 ( 6.559 -3.166 -1.655) 7.469 11.244 ( -5.019 0.124 5.193) 7.223 11.244 ( 5.019 0.124 5.193) 7.223 11.586 ( -3.355 0.436 -0.306) 3.397 11.586 ( 3.355 0.436 -0.306) 3.397 11.640 ( -5.097 -1.921 2.646) 6.056 11.640 ( 5.097 -1.921 2.646) 6.056 12.182 ( -4.408 1.198 -3.510) 5.761 12.182 ( 4.408 1.198 -3.510) 5.761 12.449 ( -0.257 0.132 -1.491) 1.519 12.449 ( 0.257 0.132 -1.491) 1.519 12.499 ( -6.440 -0.138 1.037) 6.524 12.499 ( 6.440 -0.138 1.037) 6.524 13.158 ( -4.920 4.663 -5.780) 8.908 13.158 ( 4.920 4.663 -5.780) 8.908 13.360 ( -1.720 1.354 -0.669) 2.289 13.360 ( 1.720 1.354 -0.669) 2.289 13.419 ( -5.762 -1.648 -1.546) 6.189 13.419 ( 5.762 -1.648 -1.546) 6.189 13.473 ( -2.046 -0.971 -3.378) 4.066 13.473 ( 2.046 -0.971 -3.378) 4.066 13.565 ( -1.000 -1.638 -4.075) 4.504 13.565 ( 1.000 -1.638 -4.075) 4.504 13.990 ( -1.024 0.747 11.501) 11.570 13.990 ( 1.024 0.747 11.501) 11.570 14.729 ( -1.541 0.267 0.257) 1.585 14.729 ( 1.541 0.267 0.257) 1.585 15.099 ( -1.904 2.836 -0.052) 3.416 15.099 ( 1.904 2.836 -0.052) 3.416 15.696 ( -1.304 -0.053 1.622) 2.082 15.696 ( 1.304 -0.053 1.622) 2.082 15.866 ( -0.308 -0.078 -5.635) 5.644 15.866 ( 0.308 -0.078 -5.635) 5.644 16.047 ( -0.504 -0.320 0.322) 0.679 16.047 ( 0.504 -0.320 0.322) 0.679 16.290 ( -1.313 0.523 -0.227) 1.432 16.290 ( 1.313 0.523 -0.227) 1.432 18.638 ( -5.430 8.737 -4.408) 11.192 18.638 ( 5.430 8.737 -4.408) 11.192 19.084 ( -6.011 -13.790 -9.834) 17.972 19.084 ( 6.011 -13.790 -9.834) 17.972 19.901 ( -0.781 2.016 7.488) 7.794 19.901 ( 0.781 2.016 7.488) 7.794 20.077 ( -2.138 -1.363 -6.535) 7.009 20.077 ( 2.138 -1.363 -6.535) 7.009 21.045 ( -14.044 0.419 16.019) 21.308 21.045 ( 14.044 0.419 16.019) 21.308 21.200 ( -18.084 -1.763 3.833) 18.570 21.200 ( 18.084 -1.763 3.833) 18.570 23.519 ( -1.434 5.543 -0.005) 5.726 23.519 ( 1.434 5.543 -0.005) 5.726 23.728 ( -2.292 -4.899 -1.331) 5.569 23.728 ( 2.292 -4.899 -1.331) 5.569 ======================= Grid point 70 (29/64) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 -5.563 20.149) 20.903 1.625 ( 0.000 5.563 20.149) 20.903 1.817 ( 0.000 -16.293 8.820) 18.528 1.817 ( 0.000 16.293 8.820) 18.528 2.044 ( 0.000 -3.935 2.279) 4.547 2.044 ( 0.000 3.935 2.279) 4.547 2.450 ( 0.000 -13.106 9.371) 16.112 2.450 ( 0.000 13.106 9.371) 16.112 2.533 ( 0.000 -5.423 11.397) 12.621 2.533 ( 0.000 5.423 11.397) 12.621 3.004 ( 0.000 -15.777 1.445) 15.843 3.004 ( 0.000 15.777 1.445) 15.843 3.247 ( 0.000 -14.831 -4.399) 15.470 3.247 ( 0.000 14.831 -4.399) 15.470 3.339 ( 0.000 -6.548 -5.212) 8.369 3.339 ( 0.000 6.548 -5.212) 8.369 3.775 ( 0.000 -2.152 5.995) 6.370 3.775 ( 0.000 2.152 5.995) 6.370 3.847 ( 0.000 -11.243 11.060) 15.771 3.847 ( 0.000 11.243 11.060) 15.771 3.891 ( 0.000 -6.953 6.579) 9.572 3.891 ( 0.000 6.953 6.579) 9.572 4.113 ( 0.000 -5.528 9.031) 10.589 4.113 ( 0.000 5.528 9.031) 10.589 4.447 ( 0.000 -10.857 -4.917) 11.918 4.447 ( 0.000 10.857 -4.917) 11.918 4.626 ( 0.000 -2.246 3.881) 4.484 4.626 ( 0.000 2.246 3.881) 4.484 4.664 ( 0.000 -4.396 -2.343) 4.982 4.664 ( 0.000 4.396 -2.343) 4.982 4.832 ( 0.000 -1.589 8.483) 8.631 4.832 ( 0.000 1.589 8.483) 8.631 5.849 ( 0.000 -0.343 -4.936) 4.948 5.849 ( 0.000 0.343 -4.936) 4.948 5.962 ( 0.000 -5.245 3.067) 6.076 5.962 ( 0.000 5.245 3.067) 6.076 6.205 ( 0.000 -9.280 -7.815) 12.132 6.205 ( 0.000 9.280 -7.815) 12.132 6.520 ( 0.000 -12.887 -1.072) 12.932 6.520 ( 0.000 12.887 -1.072) 12.932 6.772 ( 0.000 -2.615 4.035) 4.808 6.772 ( 0.000 2.615 4.035) 4.808 7.569 ( 0.000 -7.153 0.759) 7.193 7.569 ( 0.000 7.153 0.759) 7.193 7.796 ( 0.000 -5.919 8.007) 9.957 7.796 ( 0.000 5.919 8.007) 9.957 8.009 ( 0.000 -7.097 -7.505) 10.329 8.009 ( 0.000 7.097 -7.505) 10.329 8.127 ( 0.000 -0.002 -3.776) 3.776 8.127 ( 0.000 0.002 -3.776) 3.776 8.513 ( 0.000 -0.071 2.003) 2.004 8.513 ( 0.000 0.071 2.003) 2.004 9.130 ( 0.000 -3.982 -0.170) 3.986 9.130 ( 0.000 3.982 -0.170) 3.986 9.600 ( 0.000 -10.536 -8.318) 13.424 9.600 ( 0.000 10.536 -8.318) 13.424 9.850 ( 0.000 -3.020 -7.739) 8.308 9.850 ( 0.000 3.020 -7.739) 8.308 9.906 ( 0.000 -5.761 -3.211) 6.595 9.906 ( 0.000 5.761 -3.211) 6.595 10.233 ( 0.000 -8.306 5.164) 9.781 10.233 ( 0.000 8.306 5.164) 9.781 10.387 ( 0.000 -11.112 -0.609) 11.128 10.387 ( 0.000 11.112 -0.609) 11.128 10.551 ( 0.000 -0.334 -12.379) 12.383 10.551 ( 0.000 0.334 -12.379) 12.383 10.923 ( 0.000 -1.737 2.130) 2.748 10.923 ( 0.000 1.737 2.130) 2.748 10.981 ( 0.000 -1.345 -4.461) 4.659 10.981 ( 0.000 1.345 -4.461) 4.659 11.163 ( 0.000 -3.170 0.843) 3.280 11.163 ( 0.000 3.170 0.843) 3.280 11.630 ( 0.000 -3.549 11.446) 11.983 11.630 ( 0.000 3.549 11.446) 11.983 12.045 ( 0.000 -1.447 3.915) 4.173 12.045 ( 0.000 1.447 3.915) 4.173 12.476 ( 0.000 -0.593 -1.823) 1.917 12.476 ( 0.000 0.593 -1.823) 1.917 12.707 ( 0.000 -6.023 -0.547) 6.047 12.707 ( 0.000 6.023 -0.547) 6.047 13.027 ( 0.000 -5.767 0.111) 5.768 13.027 ( 0.000 5.767 0.111) 5.768 13.436 ( 0.000 -3.965 -6.758) 7.835 13.436 ( 0.000 3.965 -6.758) 7.835 13.516 ( 0.000 -4.170 -2.788) 5.016 13.516 ( 0.000 4.170 -2.788) 5.016 13.566 ( 0.000 -5.194 -2.900) 5.949 13.566 ( 0.000 5.194 -2.900) 5.949 13.706 ( 0.000 -5.655 0.669) 5.694 13.706 ( 0.000 5.655 0.669) 5.694 13.974 ( 0.000 -2.165 6.853) 7.187 13.974 ( 0.000 2.165 6.853) 7.187 14.756 ( 0.000 -3.106 -0.931) 3.242 14.756 ( 0.000 3.106 -0.931) 3.242 15.434 ( 0.000 -2.675 -2.924) 3.963 15.434 ( 0.000 2.675 -2.924) 3.963 15.691 ( 0.000 -2.662 1.110) 2.884 15.691 ( 0.000 2.662 1.110) 2.884 15.816 ( 0.000 -3.615 -0.629) 3.669 15.816 ( 0.000 3.615 -0.629) 3.669 16.011 ( 0.000 -3.746 0.047) 3.746 16.011 ( 0.000 3.746 0.047) 3.746 16.232 ( 0.000 -2.206 -2.470) 3.311 16.232 ( 0.000 2.206 -2.470) 3.311 18.276 ( 0.000 -1.712 1.774) 2.466 18.276 ( 0.000 1.712 1.774) 2.466 18.869 ( 0.000 -10.768 -7.233) 12.972 18.869 ( 0.000 10.768 -7.233) 12.972 19.921 ( 0.000 -2.781 11.513) 11.844 19.921 ( 0.000 2.781 11.513) 11.844 20.050 ( 0.000 -0.915 -5.734) 5.806 20.050 ( 0.000 0.915 -5.734) 5.806 20.418 ( 0.000 -0.077 7.852) 7.852 20.418 ( 0.000 0.077 7.852) 7.852 22.008 ( 0.000 -11.534 3.475) 12.046 22.008 ( 0.000 11.534 3.475) 12.046 23.530 ( 0.000 -4.945 -0.828) 5.014 23.530 ( 0.000 4.945 -0.828) 5.014 23.697 ( 0.000 -6.487 -1.306) 6.617 23.697 ( 0.000 6.487 -1.306) 6.617 ======================= Grid point 72 (30/64) ======================= q-point: ( 0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -4.570 -10.716 9.594) 15.092 1.558 ( -4.570 10.716 9.594) 15.092 1.869 ( 1.417 -9.770 9.902) 13.983 1.869 ( 1.417 9.770 9.902) 13.983 2.026 ( 1.102 -1.781 6.532) 6.859 2.026 ( 1.102 1.781 6.532) 6.859 2.437 ( 1.102 -12.833 5.005) 13.819 2.437 ( 1.102 12.833 5.005) 13.819 2.651 ( 8.509 -8.022 12.617) 17.203 2.651 ( 8.509 8.022 12.617) 17.203 2.941 ( -7.829 -8.334 -1.057) 11.483 2.941 ( -7.829 8.334 -1.057) 11.483 3.266 ( 1.923 -10.918 -5.326) 12.299 3.266 ( 1.923 10.918 -5.326) 12.299 3.396 ( 6.635 -3.604 -1.962) 7.802 3.396 ( 6.635 3.604 -1.962) 7.802 3.670 ( -10.041 -6.621 11.077) 16.351 3.670 ( -10.041 6.621 11.077) 16.351 3.781 ( -0.391 -1.978 5.385) 5.750 3.781 ( -0.391 1.978 5.385) 5.750 4.030 ( 7.758 -2.283 9.711) 12.637 4.030 ( 7.758 2.283 9.711) 12.637 4.154 ( 2.652 -6.318 6.497) 9.442 4.154 ( 2.652 6.318 6.497) 9.442 4.327 ( -9.764 -6.592 1.049) 11.827 4.327 ( -9.764 6.592 1.049) 11.827 4.545 ( -4.146 -3.135 -0.599) 5.232 4.545 ( -4.146 3.135 -0.599) 5.232 4.756 ( 6.483 -3.655 0.627) 7.468 4.756 ( 6.483 3.655 0.627) 7.468 4.840 ( 0.831 -1.401 8.259) 8.419 4.840 ( 0.831 1.401 8.259) 8.419 5.811 ( -5.518 -2.356 -7.351) 9.489 5.811 ( -5.518 2.356 -7.351) 9.489 5.970 ( 1.222 -6.620 2.316) 7.119 5.970 ( 1.222 6.620 2.316) 7.119 6.218 ( 0.714 -6.455 -4.424) 7.858 6.218 ( 0.714 6.455 -4.424) 7.858 6.505 ( -1.882 -14.509 1.236) 14.683 6.505 ( -1.882 14.509 1.236) 14.683 6.808 ( 3.801 -1.695 3.172) 5.233 6.808 ( 3.801 1.695 3.172) 5.233 7.528 ( -4.615 -7.896 0.513) 9.160 7.528 ( -4.615 7.896 0.513) 9.160 7.752 ( -4.538 -5.147 1.935) 7.130 7.752 ( -4.538 5.147 1.935) 7.130 7.920 ( -3.512 -3.808 -2.148) 5.608 7.920 ( -3.512 3.808 -2.148) 5.608 8.234 ( 6.712 -2.571 -4.443) 8.450 8.234 ( 6.712 2.571 -4.443) 8.450 8.529 ( 1.628 -0.713 2.505) 3.071 8.529 ( 1.628 0.713 2.505) 3.071 9.108 ( -2.250 -3.316 -0.348) 4.022 9.108 ( -2.250 3.316 -0.348) 4.022 9.531 ( -6.238 -7.885 -5.552) 11.485 9.531 ( -6.238 7.885 -5.552) 11.485 9.836 ( -1.390 -4.338 -8.607) 9.738 9.836 ( -1.390 4.338 -8.607) 9.738 9.897 ( -0.064 -5.818 -4.101) 7.119 9.897 ( -0.064 5.818 -4.101) 7.119 10.216 ( -3.045 -2.891 -0.553) 4.235 10.216 ( -3.045 2.891 -0.553) 4.235 10.401 ( 3.188 -6.460 0.932) 7.263 10.401 ( 3.188 6.460 0.932) 7.263 10.601 ( 3.131 -2.424 -7.915) 8.851 10.601 ( 3.131 2.424 -7.915) 8.851 10.837 ( -1.174 -4.037 0.142) 4.206 10.837 ( -1.174 4.037 0.142) 4.206 11.170 ( 8.864 -7.816 -1.708) 11.940 11.170 ( 8.864 7.816 -1.708) 11.940 11.268 ( 11.351 -3.142 -1.227) 11.841 11.268 ( 11.351 3.142 -1.227) 11.841 11.600 ( -2.452 -4.833 11.692) 12.887 11.600 ( -2.452 4.833 11.692) 12.887 12.061 ( 1.791 -1.271 2.514) 3.338 12.061 ( 1.791 1.271 2.514) 3.338 12.460 ( -1.300 -0.707 -1.816) 2.343 12.460 ( -1.300 0.707 -1.816) 2.343 12.679 ( -3.003 -5.967 -0.288) 6.686 12.679 ( -3.003 5.967 -0.288) 6.686 13.064 ( 3.615 -5.807 -0.703) 6.876 13.064 ( 3.615 5.807 -0.703) 6.876 13.419 ( -1.864 -3.918 -6.928) 8.174 13.419 ( -1.864 3.918 -6.928) 8.174 13.489 ( -2.550 -3.829 -2.867) 5.420 13.489 ( -2.550 3.829 -2.867) 5.420 13.560 ( -0.543 -3.506 -2.651) 4.429 13.560 ( -0.543 3.506 -2.651) 4.429 13.652 ( -4.896 -4.441 -0.284) 6.616 13.652 ( -4.896 4.441 -0.284) 6.616 13.986 ( 0.827 -1.994 8.566) 8.834 13.986 ( 0.827 1.994 8.566) 8.834 14.748 ( -0.717 -2.712 -0.772) 2.909 14.748 ( -0.717 2.712 -0.772) 2.909 15.327 ( -8.566 -0.891 -0.900) 8.659 15.327 ( -8.566 0.891 -0.900) 8.659 15.689 ( 0.060 -1.898 1.017) 2.154 15.689 ( 0.060 1.898 1.017) 2.154 15.841 ( 1.449 -1.120 -3.049) 3.556 15.841 ( 1.449 1.120 -3.049) 3.556 16.025 ( 1.019 -2.254 -0.038) 2.474 16.025 ( 1.019 2.254 -0.038) 2.474 16.257 ( 1.915 -2.289 -1.282) 3.248 16.257 ( 1.915 2.289 -1.282) 3.248 18.416 ( 12.554 -5.954 -1.031) 13.933 18.416 ( 12.554 5.954 -1.031) 13.933 18.885 ( 1.304 -10.767 -7.248) 13.045 18.885 ( 1.304 10.767 -7.248) 13.045 19.921 ( -0.035 -1.991 11.105) 11.282 19.921 ( -0.035 1.991 11.105) 11.282 20.055 ( 0.427 -2.622 -6.753) 7.257 20.055 ( 0.427 2.622 -6.753) 7.257 20.492 ( 7.967 -0.644 9.647) 12.528 20.492 ( 7.967 0.644 9.647) 12.528 21.874 ( -13.200 -9.609 4.418) 16.914 21.874 ( -13.200 9.609 4.418) 16.914 23.544 ( 1.463 -5.038 -0.881) 5.319 23.544 ( 1.463 5.038 -0.881) 5.319 23.689 ( -0.853 -6.476 -1.194) 6.640 23.689 ( -0.853 6.476 -1.194) 6.640 ======================= Grid point 74 (31/64) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.486 -10.605 -3.200) 11.087 1.512 ( 0.486 10.605 -3.200) 11.087 1.806 ( -5.465 -3.014 0.439) 6.257 1.806 ( -5.465 3.014 0.439) 6.257 2.143 ( 8.197 -3.477 14.664) 17.155 2.143 ( 8.197 3.477 14.664) 17.155 2.428 ( -4.728 -10.277 3.584) 11.867 2.428 ( -4.728 10.277 3.584) 11.867 2.759 ( 1.459 -5.362 3.966) 6.827 2.759 ( 1.459 5.362 3.966) 6.827 2.895 ( 7.894 -8.321 6.588) 13.228 2.895 ( 7.894 8.321 6.588) 13.228 3.243 ( -3.847 -3.098 -5.327) 7.265 3.243 ( -3.847 3.098 -5.327) 7.265 3.393 ( -10.872 -7.284 13.065) 18.492 3.393 ( -10.872 7.284 13.065) 18.492 3.584 ( 1.911 -3.411 -6.147) 7.285 3.584 ( 1.911 3.411 -6.147) 7.285 3.849 ( 7.318 -3.802 6.162) 10.295 3.849 ( 7.318 3.802 6.162) 10.295 4.050 ( -5.628 -3.423 3.611) 7.512 4.050 ( -5.628 3.423 3.611) 7.512 4.206 ( 3.387 -8.218 12.279) 15.159 4.206 ( 3.387 8.218 12.279) 15.159 4.248 ( 1.554 -5.345 9.873) 11.334 4.248 ( 1.554 5.345 9.873) 11.334 4.531 ( 3.734 -7.825 -2.560) 9.040 4.531 ( 3.734 7.825 -2.560) 9.040 4.834 ( 0.761 -8.518 2.162) 8.821 4.834 ( 0.761 8.518 2.162) 8.821 4.885 ( 3.006 -0.952 6.373) 7.111 4.885 ( 3.006 0.952 6.373) 7.111 5.651 ( -9.244 -2.763 -6.794) 11.800 5.651 ( -9.244 2.763 -6.794) 11.800 6.004 ( 2.497 -8.974 1.269) 9.401 6.004 ( 2.497 8.974 1.269) 9.401 6.195 ( -3.550 -2.413 -0.642) 4.340 6.195 ( -3.550 2.413 -0.642) 4.340 6.459 ( -2.067 -11.194 5.591) 12.682 6.459 ( -2.067 11.194 5.591) 12.682 6.890 ( 3.660 -1.884 1.716) 4.460 6.890 ( 3.660 1.884 1.716) 4.460 7.411 ( -5.794 -6.563 -1.842) 8.946 7.411 ( -5.794 6.563 -1.842) 8.946 7.674 ( -2.842 -2.004 -4.263) 5.501 7.674 ( -2.842 2.004 -4.263) 5.501 7.889 ( -0.634 -2.098 1.897) 2.899 7.889 ( -0.634 2.098 1.897) 2.899 8.345 ( 4.370 -2.164 -3.228) 5.848 8.345 ( 4.370 2.164 -3.228) 5.848 8.572 ( 2.592 -1.505 2.774) 4.084 8.572 ( 2.592 1.505 2.774) 4.084 9.052 ( -3.110 -3.313 -0.362) 4.559 9.052 ( -3.110 3.313 -0.362) 4.559 9.412 ( -4.961 -5.370 -2.389) 7.691 9.412 ( -4.961 5.370 -2.389) 7.691 9.812 ( -0.849 -3.582 -10.043) 10.696 9.812 ( -0.849 3.582 -10.043) 10.696 9.905 ( 0.768 -8.707 -6.048) 10.629 9.905 ( 0.768 8.707 -6.048) 10.629 10.131 ( -4.483 -4.446 -2.047) 6.638 10.131 ( -4.483 4.446 -2.047) 6.638 10.496 ( 4.884 -3.255 -2.744) 6.479 10.496 ( 4.884 3.255 -2.744) 6.479 10.644 ( 1.983 -0.883 0.058) 2.172 10.644 ( 1.983 0.883 0.058) 2.172 10.860 ( 2.075 -5.687 -1.552) 6.249 10.860 ( 2.075 5.687 -1.552) 6.249 11.256 ( 0.111 -6.297 1.386) 6.448 11.256 ( 0.111 6.297 1.386) 6.448 11.502 ( 10.009 -1.469 -0.348) 10.123 11.502 ( 10.009 1.469 -0.348) 10.123 11.582 ( 1.410 -5.019 7.749) 9.340 11.582 ( 1.410 5.019 7.749) 9.340 12.123 ( 4.643 -2.194 -1.262) 5.288 12.123 ( 4.643 2.194 -1.262) 5.288 12.442 ( -0.371 -0.759 -1.641) 1.846 12.442 ( -0.371 0.759 -1.641) 1.846 12.590 ( -5.985 -4.985 0.501) 7.806 12.590 ( -5.985 4.985 0.501) 7.806 13.155 ( 5.314 -5.567 -3.147) 8.315 13.155 ( 5.314 5.567 -3.147) 8.315 13.366 ( -3.087 -3.611 -5.692) 7.414 13.366 ( -3.087 3.611 -5.692) 7.414 13.444 ( -1.538 -2.252 -3.590) 4.508 13.444 ( -1.538 2.252 -3.590) 4.508 13.533 ( -4.619 -1.318 0.705) 4.855 13.533 ( -4.619 1.318 0.705) 4.855 13.558 ( -1.873 -0.720 -4.187) 4.643 13.558 ( -1.873 0.720 -4.187) 4.643 13.996 ( 0.136 -1.199 11.238) 11.303 13.996 ( 0.136 1.199 11.238) 11.303 14.736 ( -0.430 -1.611 -0.423) 1.721 14.736 ( -0.430 1.611 -0.423) 1.721 15.182 ( -5.523 -1.405 -0.013) 5.699 15.182 ( -5.523 1.405 -0.013) 5.699 15.693 ( 0.252 -1.254 1.318) 1.836 15.693 ( 0.252 1.254 1.318) 1.836 15.859 ( 0.580 -0.141 -5.651) 5.683 15.859 ( 0.580 0.141 -5.651) 5.683 16.040 ( 0.472 -0.645 0.803) 1.133 16.040 ( 0.472 0.645 0.803) 1.133 16.286 ( 0.985 -1.369 -0.210) 1.699 16.286 ( 0.985 1.369 -0.210) 1.699 18.666 ( 11.590 -10.408 -5.128) 16.400 18.666 ( 11.590 10.408 -5.128) 16.400 18.897 ( -0.649 -11.411 -7.084) 13.447 18.897 ( -0.649 11.411 -7.084) 13.447 19.921 ( 0.030 -0.974 10.619) 10.664 19.921 ( 0.030 0.974 10.619) 10.664 20.061 ( 0.146 -2.281 -8.423) 8.728 20.061 ( 0.146 2.281 -8.423) 8.728 20.731 ( 16.499 -1.276 12.357) 20.653 20.731 ( 16.499 1.276 12.357) 20.653 21.539 ( -20.396 -6.031 5.823) 22.052 21.539 ( -20.396 6.031 5.823) 22.052 23.582 ( 2.287 -5.317 -0.948) 5.865 23.582 ( 2.287 5.317 -0.948) 5.865 23.665 ( -1.647 -6.224 -1.037) 6.521 23.665 ( -1.647 6.224 -1.037) 6.521 ======================= Grid point 76 (32/64) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 0.000 0.000 -12.566) 12.566 1.542 ( 0.000 0.000 -12.566) 12.566 1.731 ( 0.000 0.000 1.823) 1.823 1.731 ( 0.000 0.000 1.823) 1.823 2.290 ( -0.000 -0.000 17.024) 17.024 2.290 ( 0.000 0.000 17.024) 17.024 2.292 ( 0.000 -0.000 2.439) 2.439 2.292 ( 0.000 0.000 2.439) 2.439 2.799 ( 0.000 0.000 0.075) 0.075 2.799 ( 0.000 0.000 0.075) 0.075 3.051 ( 0.000 0.000 4.422) 4.422 3.051 ( 0.000 0.000 4.422) 4.422 3.186 ( -0.000 0.000 18.768) 18.768 3.186 ( 0.000 0.000 18.768) 18.768 3.206 ( -0.000 -0.000 -3.638) 3.638 3.206 ( 0.000 0.000 -3.638) 3.638 3.603 ( 0.000 0.000 -6.951) 6.951 3.603 ( 0.000 0.000 -6.951) 6.951 3.944 ( -0.000 0.000 2.758) 2.758 3.944 ( 0.000 0.000 2.758) 2.758 3.976 ( -0.000 0.000 2.871) 2.871 3.976 ( 0.000 0.000 2.871) 2.871 4.237 ( 0.000 -0.000 19.899) 19.899 4.237 ( 0.000 0.000 19.899) 19.899 4.272 ( 0.000 -0.000 3.632) 3.632 4.272 ( 0.000 0.000 3.632) 3.632 4.629 ( 0.000 -0.000 -1.815) 1.815 4.629 ( 0.000 0.000 -1.815) 1.815 4.821 ( 0.000 0.000 1.123) 1.123 4.821 ( 0.000 0.000 1.123) 1.123 4.900 ( -0.000 0.000 9.429) 9.429 4.900 ( 0.000 0.000 9.429) 9.429 5.545 ( 0.000 0.000 -6.391) 6.391 5.545 ( 0.000 0.000 -6.391) 6.391 6.057 ( -0.000 -0.000 3.608) 3.608 6.057 ( 0.000 0.000 3.608) 3.608 6.122 ( -0.000 -0.000 -1.718) 1.718 6.122 ( 0.000 0.000 -1.718) 1.718 6.440 ( 0.000 0.000 7.605) 7.605 6.440 ( 0.000 0.000 7.605) 7.605 6.926 ( 0.000 0.000 1.316) 1.316 6.926 ( 0.000 0.000 1.316) 1.316 7.353 ( 0.000 0.000 -3.539) 3.539 7.353 ( 0.000 0.000 -3.539) 3.539 7.646 ( 0.000 0.000 -5.384) 5.384 7.646 ( 0.000 0.000 -5.384) 5.384 7.883 ( 0.000 0.000 2.481) 2.481 7.883 ( 0.000 0.000 2.481) 2.481 8.389 ( 0.000 0.000 -2.651) 2.651 8.389 ( 0.000 0.000 -2.651) 2.651 8.605 ( 0.000 0.000 2.601) 2.601 8.605 ( 0.000 0.000 2.601) 2.601 9.015 ( 0.000 0.000 -0.231) 0.231 9.015 ( 0.000 0.000 -0.231) 0.231 9.362 ( 0.000 0.000 -1.299) 1.299 9.362 ( 0.000 0.000 -1.299) 1.299 9.804 ( 0.000 0.000 -10.157) 10.157 9.804 ( 0.000 0.000 -10.157) 10.157 9.917 ( 0.000 0.000 -8.898) 8.898 9.917 ( 0.000 0.000 -8.898) 8.898 10.081 ( 0.000 -0.000 -0.011) 0.011 10.081 ( 0.000 0.000 -0.011) 0.011 10.543 ( 0.000 0.000 -6.513) 6.513 10.543 ( -0.000 0.000 -6.513) 6.513 10.674 ( 0.000 0.000 4.880) 4.880 10.674 ( -0.000 0.000 4.880) 4.880 10.883 ( 0.000 0.000 -3.604) 3.604 10.883 ( 0.000 0.000 -3.604) 3.604 11.237 ( 0.000 0.000 5.730) 5.730 11.237 ( 0.000 0.000 5.730) 5.730 11.600 ( -0.000 0.000 3.931) 3.931 11.600 ( 0.000 0.000 3.931) 3.931 11.612 ( -0.000 -0.000 0.802) 0.802 11.612 ( 0.000 -0.000 0.802) 0.802 12.193 ( 0.000 0.000 -4.857) 4.857 12.193 ( 0.000 0.000 -4.857) 4.857 12.448 ( 0.000 0.000 -0.931) 0.931 12.448 ( 0.000 0.000 -0.931) 0.931 12.498 ( -0.000 -0.000 1.637) 1.637 12.498 ( 0.000 0.000 1.637) 1.637 13.224 ( -0.000 0.000 -7.286) 7.286 13.224 ( 0.000 0.000 -7.286) 7.286 13.331 ( -0.000 -0.000 -2.798) 2.798 13.331 ( 0.000 0.000 -2.798) 2.798 13.445 ( -0.000 0.000 -4.983) 4.983 13.445 ( 0.000 0.000 -4.983) 4.983 13.446 ( -0.000 -0.000 1.725) 1.725 13.446 ( 0.000 -0.000 1.725) 1.725 13.549 ( 0.000 0.000 -3.508) 3.508 13.549 ( 0.000 0.000 -3.508) 3.508 13.996 ( 0.000 0.000 12.364) 12.364 13.996 ( 0.000 0.000 12.364) 12.364 14.732 ( 0.000 0.000 -0.221) 0.221 14.732 ( 0.000 0.000 -0.221) 0.221 15.128 ( 0.000 0.000 -0.098) 0.098 15.128 ( 0.000 0.000 -0.098) 0.098 15.695 ( 0.000 0.000 1.535) 1.535 15.695 ( 0.000 0.000 1.535) 1.535 15.865 ( 0.000 0.000 -6.731) 6.731 15.865 ( 0.000 0.000 -6.731) 6.731 16.044 ( 0.000 0.000 1.557) 1.557 16.044 ( 0.000 0.000 1.557) 1.557 16.295 ( 0.000 0.000 -0.017) 0.017 16.295 ( 0.000 0.000 -0.017) 0.017 18.821 ( -0.000 -0.000 -8.576) 8.576 18.821 ( 0.000 0.000 -8.576) 8.576 18.852 ( 0.000 -0.000 -4.902) 4.902 18.852 ( -0.000 0.000 -4.902) 4.902 19.921 ( 0.000 -0.000 10.509) 10.509 19.921 ( 0.000 0.000 10.509) 10.509 20.062 ( 0.000 0.000 -9.093) 9.093 20.062 ( 0.000 0.000 -9.093) 9.093 21.047 ( -0.000 0.000 21.793) 21.793 21.047 ( 0.000 0.000 21.793) 21.793 21.185 ( -0.000 0.000 -2.198) 2.198 21.185 ( 0.000 0.000 -2.198) 2.198 23.627 ( -2.189 -5.581 -1.261) 6.126 23.627 ( 2.113 -5.388 -1.385) 5.951 23.627 ( -2.113 5.388 -0.566) 5.815 23.627 ( 2.189 5.581 -0.690) 6.035 ======================= Grid point 98 (33/64) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 0.000 29.088) 29.088 1.501 ( 0.000 0.000 31.103) 31.103 1.751 ( 0.000 0.000 7.635) 7.635 2.096 ( 0.000 0.000 -0.384) 0.384 2.140 ( 0.000 0.000 33.701) 33.701 2.190 ( 0.000 0.000 9.670) 9.670 2.381 ( 0.000 0.000 14.854) 14.854 2.561 ( 0.000 0.000 11.137) 11.137 2.738 ( 0.000 0.000 -8.725) 8.725 2.866 ( 0.000 0.000 -14.727) 14.727 3.077 ( 0.000 0.000 5.910) 5.910 3.090 ( 0.000 0.000 -7.355) 7.355 3.135 ( 0.000 0.000 -2.395) 2.395 3.344 ( 0.000 0.000 9.659) 9.659 3.371 ( 0.000 0.000 7.878) 7.878 3.438 ( 0.000 0.000 6.868) 6.868 3.632 ( 0.000 0.000 -1.664) 1.664 3.636 ( 0.000 0.000 -3.126) 3.126 3.785 ( 0.000 0.000 6.333) 6.333 3.910 ( 0.000 0.000 8.715) 8.715 3.914 ( 0.000 0.000 8.215) 8.215 4.117 ( 0.000 0.000 3.233) 3.233 4.296 ( 0.000 0.000 -1.419) 1.419 4.367 ( 0.000 0.000 3.331) 3.331 4.520 ( 0.000 0.000 24.412) 24.412 4.595 ( 0.000 0.000 20.903) 20.903 4.649 ( 0.000 0.000 3.756) 3.756 4.669 ( 0.000 0.000 3.800) 3.800 4.698 ( 0.000 0.000 6.416) 6.416 5.020 ( 0.000 0.000 1.481) 1.481 5.042 ( 0.000 0.000 10.820) 10.820 5.195 ( 0.000 0.000 7.508) 7.508 5.535 ( 0.000 0.000 -6.642) 6.642 5.685 ( 0.000 0.000 -16.681) 16.681 5.777 ( 0.000 0.000 -9.297) 9.297 5.802 ( 0.000 0.000 -10.302) 10.302 6.021 ( 0.000 0.000 -0.218) 0.218 6.361 ( 0.000 0.000 -7.006) 7.006 6.446 ( 0.000 0.000 20.235) 20.235 6.677 ( 0.000 0.000 2.279) 2.279 6.944 ( 0.000 0.000 14.933) 14.933 7.144 ( 0.000 0.000 -5.503) 5.503 7.348 ( 0.000 0.000 -7.631) 7.631 7.561 ( 0.000 0.000 -1.277) 1.277 7.568 ( 0.000 0.000 -1.156) 1.156 7.790 ( 0.000 0.000 -2.827) 2.827 8.020 ( 0.000 0.000 -7.763) 7.763 8.089 ( 0.000 0.000 -8.474) 8.474 8.268 ( 0.000 0.000 -0.341) 0.341 8.284 ( 0.000 0.000 -0.869) 0.869 8.431 ( 0.000 0.000 8.137) 8.137 8.672 ( 0.000 0.000 8.723) 8.723 9.040 ( 0.000 0.000 2.367) 2.367 9.155 ( 0.000 0.000 -12.394) 12.394 9.337 ( 0.000 0.000 6.863) 6.863 9.383 ( 0.000 0.000 1.401) 1.401 9.535 ( 0.000 0.000 -5.334) 5.334 9.641 ( 0.000 0.000 -8.495) 8.495 9.958 ( 0.000 0.000 -6.598) 6.598 9.969 ( 0.000 0.000 1.526) 1.526 10.038 ( 0.000 0.000 5.023) 5.023 10.233 ( 0.000 0.000 -7.793) 7.793 10.292 ( 0.000 0.000 -9.247) 9.247 10.316 ( 0.000 0.000 -7.140) 7.140 10.412 ( 0.000 0.000 1.111) 1.111 10.641 ( 0.000 0.000 3.579) 3.579 10.700 ( 0.000 0.000 -18.974) 18.974 10.707 ( 0.000 0.000 -12.319) 12.319 11.082 ( 0.000 0.000 4.568) 4.568 11.102 ( 0.000 0.000 4.053) 4.053 11.303 ( 0.000 0.000 1.079) 1.079 11.447 ( 0.000 0.000 -8.050) 8.050 11.767 ( 0.000 0.000 8.331) 8.331 12.033 ( 0.000 0.000 1.473) 1.473 12.084 ( 0.000 0.000 1.172) 1.172 12.264 ( 0.000 0.000 -7.524) 7.524 12.319 ( 0.000 0.000 -5.704) 5.704 12.349 ( 0.000 0.000 -1.344) 1.344 12.622 ( 0.000 0.000 5.877) 5.877 12.779 ( 0.000 0.000 6.805) 6.805 12.816 ( 0.000 0.000 0.613) 0.613 13.190 ( 0.000 0.000 4.770) 4.770 13.242 ( 0.000 0.000 4.769) 4.769 13.253 ( 0.000 0.000 2.489) 2.489 13.361 ( 0.000 0.000 -8.031) 8.031 13.445 ( 0.000 0.000 -4.199) 4.199 13.491 ( 0.000 0.000 0.607) 0.607 13.513 ( 0.000 0.000 -5.096) 5.096 13.660 ( 0.000 0.000 -5.456) 5.456 13.746 ( 0.000 0.000 -7.562) 7.562 14.295 ( 0.000 0.000 5.493) 5.493 14.370 ( 0.000 0.000 -0.744) 0.744 14.738 ( 0.000 0.000 3.787) 3.787 14.856 ( 0.000 0.000 -0.617) 0.617 14.914 ( 0.000 0.000 4.895) 4.895 15.193 ( 0.000 0.000 -4.349) 4.349 15.664 ( 0.000 0.000 -0.354) 0.354 15.685 ( 0.000 0.000 3.927) 3.927 15.839 ( 0.000 0.000 -6.268) 6.268 15.864 ( 0.000 0.000 0.178) 0.178 15.938 ( 0.000 0.000 4.672) 4.672 16.030 ( 0.000 0.000 1.337) 1.337 16.075 ( 0.000 0.000 -3.238) 3.238 16.191 ( 0.000 0.000 -6.030) 6.030 18.269 ( 0.000 0.000 6.815) 6.815 18.294 ( 0.000 0.000 1.050) 1.050 18.408 ( 0.000 0.000 -2.589) 2.589 18.965 ( 0.000 0.000 -15.663) 15.663 19.838 ( 0.000 0.000 2.883) 2.883 19.993 ( 0.000 0.000 0.432) 0.432 20.227 ( 0.000 0.000 -0.606) 0.606 20.355 ( 0.000 0.000 -1.369) 1.369 20.439 ( 0.000 0.000 11.053) 11.053 20.698 ( 0.000 0.000 7.092) 7.092 21.829 ( 0.000 0.000 12.317) 12.317 22.503 ( 0.000 0.000 -7.615) 7.615 23.441 ( 0.000 0.000 4.552) 4.552 23.461 ( 0.000 0.000 6.284) 6.284 23.717 ( 0.000 0.000 -2.761) 2.761 23.775 ( 0.000 0.000 -3.445) 3.445 ======================= Grid point 99 (34/64) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -12.287 0.000 30.891) 33.245 1.323 ( 10.741 0.000 24.372) 26.634 1.764 ( 1.570 0.000 4.890) 5.135 2.108 ( 0.808 0.000 0.191) 0.830 2.193 ( -0.371 0.000 8.104) 8.112 2.234 ( 2.617 0.000 17.569) 17.763 2.391 ( -14.006 0.000 0.614) 14.020 2.588 ( 16.708 0.000 18.657) 25.045 2.739 ( -3.070 0.000 0.463) 3.104 2.901 ( 5.527 0.000 -10.826) 12.155 2.922 ( -10.281 0.000 -3.815) 10.966 2.943 ( -9.392 0.000 2.171) 9.640 3.116 ( -15.811 0.000 -3.000) 16.094 3.265 ( -3.119 0.000 17.614) 17.888 3.273 ( 5.813 0.000 -4.994) 7.663 3.515 ( 3.204 0.000 12.922) 13.313 3.620 ( 0.659 0.000 5.782) 5.820 3.705 ( -1.473 0.000 3.700) 3.982 3.848 ( 2.820 0.000 3.654) 4.616 3.888 ( 4.182 0.000 4.067) 5.834 4.030 ( 5.713 0.000 6.053) 8.323 4.130 ( -0.752 0.000 5.391) 5.443 4.254 ( -12.987 0.000 21.491) 25.110 4.309 ( -0.217 0.000 1.371) 1.388 4.404 ( -1.204 0.000 2.825) 3.071 4.456 ( 1.378 0.000 8.584) 8.694 4.712 ( 2.838 0.000 -2.844) 4.018 4.825 ( 6.491 0.000 18.767) 19.858 4.850 ( 8.066 0.000 12.903) 15.217 4.885 ( -5.633 0.000 -1.051) 5.730 5.136 ( 3.332 0.000 6.797) 7.570 5.220 ( 1.466 0.000 12.279) 12.366 5.439 ( -4.057 0.000 -7.840) 8.827 5.731 ( -4.358 0.000 -9.271) 10.245 5.839 ( 8.435 0.000 -8.118) 11.707 5.868 ( 4.994 0.000 -11.718) 12.738 5.983 ( -2.024 0.000 0.365) 2.057 6.216 ( -6.222 0.000 7.077) 9.423 6.587 ( 5.920 0.000 7.569) 9.609 6.713 ( 3.219 0.000 -0.961) 3.359 6.963 ( 2.626 0.000 12.156) 12.436 7.131 ( -1.506 0.000 -5.539) 5.740 7.256 ( -8.732 0.000 -4.221) 9.699 7.469 ( -7.493 0.000 -2.163) 7.799 7.598 ( 2.019 0.000 -1.583) 2.566 7.778 ( -5.142 0.000 -0.834) 5.209 7.965 ( -3.814 0.000 -7.560) 8.467 8.017 ( -3.452 0.000 -6.460) 7.324 8.304 ( 2.537 0.000 -0.791) 2.657 8.312 ( 1.865 0.000 -4.610) 4.973 8.475 ( 4.359 0.000 6.488) 7.816 8.700 ( 2.366 0.000 5.525) 6.010 8.951 ( -7.222 0.000 -1.992) 7.492 9.180 ( 0.171 0.000 -5.198) 5.201 9.257 ( -7.087 0.000 -1.815) 7.315 9.339 ( 1.438 0.000 6.332) 6.493 9.609 ( 4.351 0.000 -5.017) 6.641 9.648 ( 0.355 0.000 -8.675) 8.682 9.927 ( -1.333 0.000 -0.142) 1.340 10.057 ( 5.610 0.000 -2.417) 6.108 10.096 ( -3.203 0.000 -0.885) 3.323 10.175 ( 6.226 0.000 -5.723) 8.457 10.290 ( -0.861 0.000 -10.075) 10.112 10.368 ( -1.942 0.000 3.606) 4.096 10.436 ( 6.160 0.000 -8.367) 10.390 10.698 ( -1.718 0.000 -7.458) 7.654 10.718 ( 7.230 0.000 3.762) 8.150 10.761 ( 5.404 0.000 -16.481) 17.344 11.124 ( 4.354 0.000 4.693) 6.402 11.153 ( 5.433 0.000 -0.184) 5.436 11.319 ( 1.880 0.000 0.034) 1.880 11.460 ( 0.402 0.000 -6.762) 6.774 11.778 ( 0.496 0.000 6.758) 6.776 12.004 ( -7.352 0.000 2.077) 7.639 12.016 ( -0.908 0.000 0.504) 1.038 12.288 ( 2.038 0.000 -6.223) 6.548 12.299 ( -1.942 0.000 -4.568) 4.963 12.341 ( -0.941 0.000 0.245) 0.973 12.565 ( -4.876 0.000 5.463) 7.322 12.765 ( -5.177 0.000 0.378) 5.191 12.812 ( 3.485 0.000 3.623) 5.027 13.183 ( -4.597 0.000 0.235) 4.603 13.198 ( 1.033 0.000 4.130) 4.258 13.289 ( 3.185 0.000 2.124) 3.829 13.375 ( 0.668 0.000 -3.781) 3.839 13.440 ( -0.918 0.000 -3.835) 3.944 13.465 ( -1.598 0.000 -3.541) 3.885 13.554 ( 3.004 0.000 -0.699) 3.084 13.654 ( -3.162 0.000 -2.732) 4.179 13.665 ( -4.897 0.000 -6.986) 8.531 14.229 ( -9.453 0.000 3.180) 9.974 14.231 ( -5.959 0.000 4.709) 7.595 14.741 ( 0.381 0.000 3.702) 3.722 14.841 ( -1.353 0.000 0.106) 1.357 14.924 ( 0.926 0.000 4.127) 4.230 15.162 ( -3.297 0.000 -3.779) 5.015 15.687 ( 0.358 0.000 3.630) 3.647 15.707 ( 3.089 0.000 -2.841) 4.197 15.824 ( -1.149 0.000 -4.942) 5.074 15.841 ( -2.084 0.000 0.530) 2.150 15.960 ( 1.883 0.000 2.521) 3.147 16.032 ( 0.637 0.000 0.349) 0.727 16.111 ( 3.301 0.000 -2.365) 4.061 16.233 ( 2.442 0.000 -5.322) 5.855 18.264 ( 2.516 0.000 3.707) 4.481 18.439 ( 2.505 0.000 -2.571) 3.590 18.607 ( 23.425 0.000 -7.352) 24.551 18.989 ( 2.722 0.000 -14.612) 14.863 19.834 ( -0.447 0.000 2.323) 2.366 19.968 ( -2.731 0.000 -0.122) 2.734 20.163 ( -4.026 0.000 2.100) 4.541 20.291 ( -5.055 0.000 -0.340) 5.066 20.568 ( 11.050 0.000 8.645) 14.030 20.818 ( 10.744 0.000 5.641) 12.135 21.753 ( -7.518 0.000 12.724) 14.779 22.327 ( -16.401 0.000 -1.595) 16.478 23.445 ( 0.374 0.000 4.170) 4.187 23.449 ( -0.630 0.000 5.447) 5.483 23.750 ( 2.504 0.000 -2.797) 3.754 23.779 ( 0.415 0.000 -3.018) 3.046 ======================= Grid point 100 (35/64) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 8.412 0.000 13.415) 15.834 1.544 ( 9.184 0.000 13.285) 16.151 1.784 ( 0.515 0.000 1.533) 1.617 2.036 ( -14.373 0.000 -1.973) 14.507 2.174 ( -0.677 0.000 -2.739) 2.821 2.186 ( 1.540 0.000 7.881) 8.030 2.336 ( 7.954 0.000 8.363) 11.542 2.584 ( -11.625 0.000 6.460) 13.299 2.596 ( -10.556 0.000 6.126) 12.204 2.730 ( -10.568 0.000 -2.130) 10.781 2.839 ( -2.137 0.000 -2.373) 3.194 2.866 ( -7.247 0.000 -1.828) 7.474 3.157 ( 11.190 0.000 -2.184) 11.402 3.338 ( 0.472 0.000 -5.166) 5.188 3.366 ( 15.873 0.000 24.235) 28.970 3.578 ( 2.463 0.000 8.558) 8.906 3.612 ( -4.513 0.000 -1.115) 4.649 3.678 ( 4.631 0.000 8.661) 9.821 3.865 ( -2.708 0.000 5.500) 6.130 3.867 ( -5.740 0.000 5.245) 7.775 4.012 ( -6.939 0.000 12.115) 13.962 4.012 ( -5.463 0.000 17.398) 18.235 4.246 ( 9.221 0.000 7.094) 11.635 4.360 ( 2.852 0.000 0.494) 2.895 4.422 ( 2.293 0.000 9.645) 9.914 4.566 ( 6.062 0.000 1.984) 6.379 4.711 ( -6.768 0.000 8.411) 10.796 4.744 ( 0.892 0.000 -2.433) 2.591 4.955 ( 3.002 0.000 10.035) 10.474 5.004 ( 6.925 0.000 7.920) 10.520 5.154 ( -1.447 0.000 10.917) 11.012 5.227 ( -1.128 0.000 14.966) 15.009 5.427 ( 2.735 0.000 -6.247) 6.820 5.629 ( -5.747 0.000 -9.469) 11.076 5.839 ( -3.051 0.000 2.485) 3.935 5.903 ( -2.085 0.000 2.728) 3.433 6.084 ( 7.969 0.000 0.086) 7.970 6.183 ( 1.714 0.000 -1.913) 2.568 6.689 ( 6.630 0.000 7.907) 10.319 6.776 ( 3.952 0.000 -2.550) 4.703 7.041 ( 4.637 0.000 6.163) 7.712 7.046 ( -10.181 0.000 -6.325) 11.986 7.083 ( -5.908 0.000 1.776) 6.169 7.303 ( -9.893 0.000 -2.037) 10.100 7.597 ( -2.454 0.000 -4.658) 5.265 7.604 ( -8.252 0.000 -0.025) 8.252 7.937 ( 1.340 0.000 -5.557) 5.717 8.003 ( 0.022 0.000 -6.704) 6.704 8.337 ( 0.789 0.000 -4.616) 4.683 8.340 ( 1.030 0.000 -1.424) 1.757 8.583 ( 6.254 0.000 2.504) 6.737 8.756 ( 3.935 0.000 1.727) 4.297 8.811 ( -6.759 0.000 -3.465) 7.595 9.044 ( -9.450 0.000 1.824) 9.624 9.280 ( 4.975 0.000 -7.615) 9.096 9.408 ( 3.994 0.000 1.847) 4.400 9.636 ( -0.901 0.000 -9.568) 9.611 9.677 ( 2.392 0.000 -6.290) 6.730 9.899 ( -1.164 0.000 -1.888) 2.218 10.035 ( -6.755 0.000 -3.635) 7.671 10.082 ( 2.862 0.000 7.839) 8.345 10.255 ( -3.187 0.000 -2.693) 4.172 10.325 ( 7.712 0.000 -8.114) 11.194 10.422 ( 5.825 0.000 -1.958) 6.145 10.521 ( 2.781 0.000 -8.513) 8.956 10.622 ( -5.542 0.000 -2.552) 6.101 10.860 ( 6.191 0.000 0.935) 6.261 10.874 ( 5.236 0.000 -10.482) 11.717 11.220 ( 3.993 0.000 8.439) 9.336 11.290 ( 6.365 0.000 -6.040) 8.775 11.402 ( 7.673 0.000 -4.087) 8.693 11.435 ( -1.268 0.000 2.112) 2.463 11.740 ( -5.050 0.000 2.131) 5.481 11.839 ( -9.379 0.000 0.024) 9.380 12.042 ( 4.095 0.000 0.544) 4.131 12.245 ( -3.791 0.000 -1.713) 4.160 12.326 ( 1.590 0.000 -4.491) 4.764 12.329 ( 0.161 0.000 -0.295) 0.336 12.484 ( -2.383 0.000 2.343) 3.342 12.632 ( -7.846 0.000 -0.339) 7.853 12.905 ( 5.564 0.000 -0.584) 5.595 13.096 ( -4.395 0.000 -2.221) 4.924 13.233 ( 2.571 0.000 2.763) 3.774 13.357 ( 3.486 0.000 -0.166) 3.490 13.376 ( -2.030 0.000 -2.345) 3.102 13.392 ( -1.688 0.000 -2.734) 3.213 13.454 ( -0.224 0.000 -4.038) 4.044 13.512 ( -6.284 0.000 -2.985) 6.957 13.606 ( 2.033 0.000 1.189) 2.355 13.649 ( -0.770 0.000 -1.836) 1.991 14.100 ( -4.194 0.000 3.343) 5.363 14.111 ( -5.242 0.000 3.841) 6.499 14.754 ( 1.010 0.000 3.418) 3.564 14.811 ( -1.648 0.000 1.464) 2.205 14.951 ( 2.002 0.000 2.282) 3.036 15.082 ( -4.433 0.000 -2.062) 4.889 15.705 ( 1.580 0.000 3.004) 3.394 15.754 ( 1.686 0.000 -4.620) 4.918 15.796 ( -2.383 0.000 1.936) 3.070 15.803 ( -0.975 0.000 -4.221) 4.332 16.000 ( 2.103 0.000 0.911) 2.292 16.045 ( 0.260 0.000 -0.349) 0.435 16.179 ( 3.370 0.000 -1.994) 3.915 16.255 ( -0.148 0.000 -3.846) 3.849 18.337 ( 4.555 0.000 0.733) 4.613 18.466 ( -0.412 0.000 -2.903) 2.932 19.001 ( 14.690 0.000 -14.095) 20.359 19.072 ( 5.337 0.000 -12.415) 13.514 19.823 ( -0.564 0.000 1.016) 1.162 19.891 ( -4.551 0.000 -0.270) 4.559 20.117 ( -0.539 0.000 2.662) 2.716 20.198 ( -4.208 0.000 0.510) 4.239 20.820 ( 14.407 0.000 7.025) 16.029 21.051 ( 11.440 0.000 2.844) 11.789 21.574 ( -8.903 0.000 14.779) 17.254 21.955 ( -20.464 0.000 6.558) 21.489 23.446 ( 0.181 0.000 3.888) 3.892 23.452 ( 0.186 0.000 3.402) 3.407 23.788 ( 1.241 0.000 -2.165) 2.495 23.790 ( 0.621 0.000 -2.170) 2.257 ======================= Grid point 101 (36/64) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -14.292 0.000 1.035) 14.329 1.509 ( 14.292 0.000 1.035) 14.329 1.813 ( -4.133 0.000 -2.280) 4.720 1.813 ( 4.133 0.000 -2.280) 4.720 2.232 ( -0.992 0.000 3.974) 4.096 2.232 ( 0.992 0.000 3.974) 4.096 2.424 ( -0.717 0.000 11.290) 11.313 2.424 ( 0.717 0.000 11.290) 11.313 2.522 ( -10.484 0.000 0.622) 10.502 2.522 ( 10.484 0.000 0.622) 10.502 2.813 ( -0.181 0.000 0.034) 0.184 2.813 ( 0.181 0.000 0.034) 0.184 3.299 ( -4.691 0.000 -1.284) 4.864 3.299 ( 4.691 0.000 -1.284) 4.864 3.568 ( -2.168 0.000 2.111) 3.026 3.568 ( 2.168 0.000 2.111) 3.026 3.693 ( -11.482 0.000 4.938) 12.499 3.693 ( 11.482 0.000 4.938) 12.499 3.782 ( -4.884 0.000 10.419) 11.507 3.782 ( 4.884 0.000 10.419) 11.507 3.955 ( -0.480 0.000 14.304) 14.313 3.955 ( 0.480 0.000 14.304) 14.313 4.366 ( -2.362 0.000 6.069) 6.512 4.366 ( 2.362 0.000 6.069) 6.512 4.511 ( -6.867 0.000 10.899) 12.882 4.511 ( 6.867 0.000 10.899) 12.882 4.731 ( -3.253 0.000 -1.908) 3.771 4.731 ( 3.253 0.000 -1.908) 3.771 5.019 ( -4.512 0.000 9.948) 10.924 5.019 ( 4.512 0.000 9.948) 10.924 5.169 ( -4.172 0.000 13.705) 14.326 5.169 ( 4.172 0.000 13.705) 14.326 5.519 ( -5.690 0.000 -8.875) 10.543 5.519 ( 5.690 0.000 -8.875) 10.543 5.839 ( -2.924 0.000 6.309) 6.954 5.839 ( 2.924 0.000 6.309) 6.954 6.189 ( -2.448 0.000 1.274) 2.760 6.189 ( 2.448 0.000 1.274) 2.760 6.855 ( -9.152 0.000 -1.985) 9.365 6.855 ( 9.152 0.000 -1.985) 9.365 6.913 ( -10.789 0.000 2.151) 11.002 6.913 ( 10.789 0.000 2.151) 11.002 7.137 ( -6.073 0.000 1.905) 6.364 7.137 ( 6.073 0.000 1.905) 6.364 7.545 ( -1.302 0.000 -4.363) 4.553 7.545 ( 1.302 0.000 -4.363) 4.553 7.982 ( -2.243 0.000 -5.454) 5.898 7.982 ( 2.243 0.000 -5.454) 5.898 8.346 ( -0.169 0.000 -2.691) 2.696 8.346 ( 0.169 0.000 -2.691) 2.696 8.696 ( -5.475 0.000 -2.253) 5.921 8.696 ( 5.475 0.000 -2.253) 5.921 8.871 ( -7.968 0.000 1.718) 8.151 8.871 ( 7.968 0.000 1.718) 8.151 9.389 ( -5.283 0.000 -6.441) 8.331 9.389 ( 5.283 0.000 -6.441) 8.331 9.675 ( -3.076 0.000 -7.484) 8.091 9.675 ( 3.076 0.000 -7.484) 8.091 9.914 ( -3.710 0.000 -0.455) 3.738 9.914 ( 3.710 0.000 -0.455) 3.738 10.170 ( -5.231 0.000 5.515) 7.601 10.170 ( 5.231 0.000 5.515) 7.601 10.456 ( -4.757 0.000 -6.259) 7.862 10.456 ( 4.757 0.000 -6.259) 7.862 10.545 ( -0.547 0.000 -6.491) 6.514 10.545 ( 0.547 0.000 -6.491) 6.514 10.928 ( -0.334 0.000 -5.083) 5.094 10.928 ( 0.334 0.000 -5.083) 5.094 11.280 ( -3.362 0.000 5.488) 6.436 11.280 ( 3.362 0.000 5.488) 6.436 11.524 ( -3.324 0.000 0.013) 3.324 11.524 ( 3.324 0.000 0.013) 3.324 11.665 ( -5.005 0.000 -2.930) 5.800 11.665 ( 5.005 0.000 -2.930) 5.800 12.148 ( -5.967 0.000 -0.277) 5.974 12.148 ( 5.967 0.000 -0.277) 5.974 12.340 ( -0.218 0.000 -2.634) 2.643 12.340 ( 0.218 0.000 -2.634) 2.643 12.503 ( -4.483 0.000 -0.166) 4.487 12.503 ( 4.483 0.000 -0.166) 4.487 13.008 ( -4.936 0.000 -2.389) 5.483 13.008 ( 4.936 0.000 -2.389) 5.483 13.298 ( -4.136 0.000 0.462) 4.162 13.298 ( 4.136 0.000 0.462) 4.162 13.399 ( -0.166 0.000 -4.186) 4.189 13.399 ( 0.166 0.000 -4.186) 4.189 13.445 ( -0.178 0.000 -1.913) 1.921 13.445 ( 0.178 0.000 -1.913) 1.921 13.632 ( -0.955 0.000 1.053) 1.422 13.632 ( 0.955 0.000 1.053) 1.422 14.059 ( -0.080 0.000 3.429) 3.430 14.059 ( 0.080 0.000 3.429) 3.430 14.780 ( -1.550 0.000 2.711) 3.123 14.780 ( 1.550 0.000 2.711) 3.123 15.004 ( -3.511 0.000 -0.008) 3.511 15.004 ( 3.511 0.000 -0.008) 3.511 15.744 ( -2.267 0.000 1.529) 2.735 15.744 ( 2.267 0.000 1.529) 2.735 15.785 ( -0.949 0.000 -3.407) 3.537 15.785 ( 0.949 0.000 -3.407) 3.537 16.034 ( -1.295 0.000 0.039) 1.295 16.034 ( 1.295 0.000 0.039) 1.295 16.233 ( -2.037 0.000 -2.656) 3.347 16.233 ( 2.037 0.000 -2.656) 3.347 18.422 ( -3.805 0.000 -1.975) 4.287 18.422 ( 3.805 0.000 -1.975) 4.287 19.140 ( -0.303 0.000 -12.779) 12.783 19.140 ( 0.303 0.000 -12.779) 12.783 19.827 ( -1.571 0.000 0.115) 1.575 19.827 ( 1.571 0.000 0.115) 1.575 20.135 ( -2.228 0.000 1.565) 2.723 20.135 ( 2.228 0.000 1.565) 2.723 21.080 ( -10.167 0.000 3.657) 10.805 21.080 ( 10.167 0.000 3.657) 10.805 21.601 ( -13.793 0.000 12.934) 18.908 21.601 ( 13.793 0.000 12.934) 18.908 23.451 ( -0.227 0.000 3.118) 3.126 23.451 ( 0.227 0.000 3.118) 3.126 23.798 ( -0.101 0.000 -1.764) 1.767 23.798 ( 0.101 0.000 -1.764) 1.767 ======================= Grid point 105 (37/64) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.000 17.376 18.662) 25.499 1.593 ( 0.000 9.030 25.894) 27.424 1.787 ( 0.000 3.706 8.782) 9.532 2.074 ( 0.000 -1.361 3.510) 3.765 2.251 ( 0.000 6.519 10.358) 12.239 2.280 ( 0.000 9.269 20.074) 22.111 2.381 ( 0.000 3.884 20.065) 20.438 2.416 ( 0.000 -11.074 3.452) 11.600 2.759 ( 0.000 2.368 -8.696) 9.013 2.986 ( 0.000 7.576 -4.972) 9.062 3.037 ( 0.000 -2.662 5.162) 5.808 3.129 ( 0.000 -6.627 13.195) 14.765 3.132 ( 0.000 2.840 -4.389) 5.227 3.247 ( 0.000 -1.347 2.698) 3.016 3.271 ( 0.000 -6.187 -2.463) 6.659 3.472 ( 0.000 -8.273 7.015) 10.847 3.567 ( 0.000 10.838 6.787) 12.788 3.756 ( 0.000 -1.696 4.637) 4.937 3.851 ( 0.000 10.388 -5.060) 11.555 3.905 ( 0.000 -0.334 7.563) 7.570 3.911 ( 0.000 0.878 9.725) 9.765 4.105 ( 0.000 -0.763 2.345) 2.466 4.246 ( 0.000 -1.928 3.213) 3.747 4.479 ( 0.000 5.373 1.296) 5.527 4.509 ( 0.000 0.624 20.080) 20.090 4.600 ( 0.000 -6.090 -3.111) 6.839 4.629 ( 0.000 -2.439 8.819) 9.150 4.650 ( 0.000 4.413 15.914) 16.515 4.725 ( 0.000 1.218 7.823) 7.918 4.962 ( 0.000 -6.017 3.704) 7.066 5.041 ( 0.000 -0.222 10.434) 10.437 5.152 ( 0.000 -3.908 7.468) 8.429 5.584 ( 0.000 4.914 -6.986) 8.541 5.675 ( 0.000 -0.717 -14.069) 14.087 5.778 ( 0.000 0.615 -8.266) 8.288 5.845 ( 0.000 3.981 -11.145) 11.835 6.038 ( 0.000 1.037 0.441) 1.127 6.317 ( 0.000 -4.573 -6.852) 8.237 6.437 ( 0.000 0.084 17.472) 17.473 6.681 ( 0.000 0.180 2.396) 2.403 6.931 ( 0.000 -1.265 13.697) 13.755 7.188 ( 0.000 -12.655 -2.549) 12.909 7.228 ( 0.000 7.684 -3.712) 8.534 7.605 ( 0.000 0.845 -5.701) 5.763 7.615 ( 0.000 5.035 -3.511) 6.138 7.821 ( 0.000 2.561 -1.881) 3.178 8.024 ( 0.000 0.420 -5.169) 5.186 8.074 ( 0.000 -1.621 -7.580) 7.751 8.209 ( 0.000 -4.476 2.275) 5.021 8.225 ( 0.000 -5.783 -0.341) 5.793 8.490 ( 0.000 4.324 6.156) 7.523 8.610 ( 0.000 -3.960 6.808) 7.876 9.098 ( 0.000 3.326 3.074) 4.529 9.152 ( 0.000 0.657 -10.354) 10.375 9.320 ( 0.000 -5.735 -0.307) 5.743 9.412 ( 0.000 7.026 2.689) 7.523 9.549 ( 0.000 0.698 -7.346) 7.379 9.631 ( 0.000 -1.162 -10.478) 10.542 9.943 ( 0.000 -2.153 -7.393) 7.700 9.965 ( 0.000 0.478 2.976) 3.014 10.071 ( 0.000 3.750 4.543) 5.891 10.217 ( 0.000 -1.243 -9.167) 9.251 10.237 ( 0.000 -3.779 -3.113) 4.896 10.301 ( 0.000 -0.311 -13.822) 13.825 10.554 ( 0.000 11.226 1.583) 11.337 10.566 ( 0.000 -6.480 -7.161) 9.657 10.677 ( 0.000 -2.611 -9.443) 9.797 10.755 ( 0.000 4.611 -2.877) 5.435 11.036 ( 0.000 -4.239 2.781) 5.070 11.069 ( 0.000 -3.245 3.929) 5.096 11.294 ( 0.000 -1.309 -0.574) 1.429 11.357 ( 0.000 -7.957 -5.355) 9.591 11.805 ( 0.000 3.014 6.177) 6.873 11.936 ( 0.000 -4.453 5.098) 6.769 12.197 ( 0.000 -4.115 0.436) 4.138 12.244 ( 0.000 7.033 1.953) 7.299 12.323 ( 0.000 3.134 -6.277) 7.016 12.390 ( 0.000 1.655 -4.984) 5.251 12.594 ( 0.000 -2.824 5.936) 6.574 12.792 ( 0.000 1.322 3.423) 3.670 12.868 ( 0.000 4.260 1.326) 4.462 13.147 ( 0.000 -0.786 1.966) 2.117 13.220 ( 0.000 -3.517 1.177) 3.709 13.319 ( 0.000 5.046 4.429) 6.713 13.374 ( 0.000 1.428 -7.307) 7.446 13.454 ( 0.000 -4.464 -5.854) 7.362 13.456 ( 0.000 1.111 -3.747) 3.908 13.524 ( 0.000 3.313 0.839) 3.417 13.656 ( 0.000 -2.568 -2.905) 3.878 13.736 ( 0.000 0.255 -6.791) 6.795 14.234 ( 0.000 -8.255 3.797) 9.086 14.246 ( 0.000 -4.639 4.690) 6.596 14.720 ( 0.000 -0.965 2.546) 2.723 14.834 ( 0.000 -2.129 -1.148) 2.419 15.131 ( 0.000 14.593 -1.937) 14.721 15.245 ( 0.000 4.682 -3.081) 5.605 15.655 ( 0.000 -0.032 0.808) 0.809 15.717 ( 0.000 2.494 2.599) 3.602 15.797 ( 0.000 -2.910 -3.047) 4.213 15.878 ( 0.000 0.168 -1.727) 1.736 15.946 ( 0.000 0.955 3.864) 3.980 16.032 ( 0.000 0.261 0.669) 0.718 16.092 ( 0.000 1.688 -3.467) 3.856 16.190 ( 0.000 -0.190 -5.661) 5.664 18.275 ( 0.000 0.749 6.044) 6.090 18.307 ( 0.000 1.219 1.478) 1.915 18.465 ( 0.000 5.407 -3.316) 6.343 18.927 ( 0.000 -3.965 -14.696) 15.221 19.849 ( 0.000 1.133 1.654) 2.005 19.983 ( 0.000 -0.974 -1.105) 1.473 20.214 ( 0.000 -1.238 0.852) 1.503 20.295 ( 0.000 -4.366 4.883) 6.550 20.485 ( 0.000 3.022 6.735) 7.382 20.668 ( 0.000 -2.740 8.456) 8.889 21.863 ( 0.000 3.564 11.262) 11.812 22.426 ( 0.000 -7.365 -4.622) 8.695 23.436 ( 0.000 0.563 3.558) 3.603 23.501 ( 0.000 3.214 4.992) 5.938 23.673 ( 0.000 -3.775 -2.618) 4.594 23.777 ( 0.000 -0.535 -3.249) 3.293 ======================= Grid point 106 (38/64) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -13.498 9.528 27.082) 31.723 1.493 ( 7.606 14.866 15.379) 22.702 1.774 ( -0.726 1.103 5.098) 5.266 2.116 ( 1.882 0.672 1.494) 2.496 2.228 ( -3.611 2.140 9.141) 10.059 2.277 ( 0.647 2.657 10.421) 10.773 2.330 ( -6.145 -3.531 4.088) 8.182 2.615 ( 12.670 2.825 14.809) 19.693 2.711 ( -3.346 1.260 -4.037) 5.393 2.904 ( -10.055 -1.881 0.325) 10.235 2.956 ( -9.147 1.515 -0.495) 9.285 3.026 ( 3.066 7.741 -5.584) 10.025 3.152 ( 1.524 -3.783 17.901) 18.360 3.211 ( -6.932 4.630 -2.049) 8.584 3.361 ( 5.469 5.616 2.000) 8.090 3.472 ( -1.250 -4.816 8.566) 9.906 3.527 ( 3.631 -5.481 4.581) 8.013 3.635 ( -6.343 -1.895 3.964) 7.716 3.895 ( 1.118 2.535 6.985) 7.514 3.963 ( 2.482 3.381 7.426) 8.528 4.053 ( 7.880 3.178 1.026) 8.559 4.125 ( -0.859 -0.378 5.635) 5.713 4.231 ( -2.160 0.282 12.522) 12.710 4.368 ( -5.493 1.676 9.221) 10.863 4.412 ( -6.011 0.927 3.144) 6.847 4.488 ( 1.949 3.230 4.729) 6.049 4.686 ( 3.235 -2.101 -2.006) 4.348 4.807 ( 5.483 -4.146 4.547) 8.242 4.832 ( 2.500 -0.042 18.483) 18.651 4.884 ( 1.331 -0.429 7.950) 8.072 5.097 ( 2.295 -3.640 7.153) 8.347 5.178 ( 1.729 -4.031 11.469) 12.279 5.472 ( -4.610 3.376 -7.683) 9.575 5.730 ( -3.982 -0.128 -8.918) 9.767 5.850 ( 3.110 -0.878 -7.743) 8.390 5.864 ( 6.244 2.735 -7.087) 9.833 6.029 ( 1.293 3.194 -2.596) 4.315 6.228 ( -5.154 0.982 2.999) 6.043 6.534 ( 5.432 -4.333 8.334) 10.851 6.711 ( 2.650 -0.073 0.111) 2.654 6.946 ( 1.574 -1.755 11.196) 11.442 7.147 ( -3.532 -8.514 -3.387) 9.820 7.219 ( -1.362 6.498 -0.910) 6.702 7.497 ( -9.522 3.292 -3.688) 10.729 7.609 ( -0.953 0.494 -4.618) 4.741 7.801 ( -5.073 1.235 -0.067) 5.222 7.958 ( -3.800 -0.626 -5.870) 7.021 8.000 ( -3.637 -1.908 -4.789) 6.309 8.243 ( 3.399 -3.569 -2.152) 5.378 8.309 ( 4.810 -2.109 -0.899) 5.328 8.512 ( 2.192 3.062 5.373) 6.561 8.638 ( 2.678 -4.171 4.268) 6.541 9.003 ( -7.229 3.849 -2.316) 8.511 9.164 ( -1.376 -0.514 -2.737) 3.106 9.243 ( -4.731 -1.362 -2.740) 5.634 9.408 ( 0.752 5.060 2.301) 5.609 9.592 ( 3.631 -1.238 -6.072) 7.182 9.632 ( -0.218 -1.547 -9.989) 10.111 9.907 ( -4.499 -3.836 -5.142) 7.835 10.024 ( 1.447 -1.201 -3.402) 3.887 10.095 ( 1.756 0.261 3.318) 3.763 10.186 ( 5.739 0.634 -3.579) 6.793 10.267 ( -0.548 -2.046 -9.032) 9.277 10.313 ( -0.086 -3.136 -9.316) 9.830 10.556 ( 0.887 9.402 -0.807) 9.478 10.644 ( 4.371 -4.725 -6.209) 8.943 10.692 ( 2.231 -1.450 -3.134) 4.111 10.808 ( 5.085 3.279 -1.879) 6.336 11.085 ( 5.060 -3.065 3.321) 6.785 11.148 ( 7.806 -0.343 -0.630) 7.839 11.310 ( 1.878 -1.801 -3.068) 4.023 11.407 ( 4.116 -4.665 -4.225) 7.520 11.789 ( -2.159 0.905 6.667) 7.066 11.936 ( 0.207 -2.479 4.967) 5.555 12.107 ( -6.849 2.153 0.091) 7.180 12.258 ( -0.032 -0.946 1.973) 2.188 12.324 ( 0.306 4.477 -4.977) 6.702 12.390 ( -0.356 2.417 -3.283) 4.093 12.546 ( -4.243 -2.086 4.928) 6.829 12.784 ( -3.390 1.213 0.466) 3.631 12.847 ( 0.653 3.518 1.260) 3.794 13.128 ( -1.858 -1.184 -0.539) 2.268 13.256 ( 2.365 -1.656 1.420) 3.218 13.299 ( -0.317 4.180 2.304) 4.783 13.374 ( -0.305 0.169 -3.803) 3.819 13.439 ( -1.556 -3.573 -4.809) 6.190 13.454 ( -0.189 0.846 -4.023) 4.115 13.523 ( -0.654 0.782 -0.412) 1.100 13.625 ( -3.400 -2.852 -2.639) 5.164 13.694 ( -3.159 1.011 -4.639) 5.703 14.179 ( -4.344 -3.108 4.294) 6.853 14.214 ( -2.864 -1.990 4.671) 5.829 14.722 ( 0.292 -1.198 2.586) 2.865 14.820 ( -1.283 -1.985 -0.547) 2.426 15.065 ( -4.172 11.149 1.363) 11.982 15.204 ( -4.068 3.880 -2.693) 6.234 15.673 ( 1.238 -0.571 0.931) 1.651 15.728 ( 1.188 1.406 -0.134) 1.846 15.787 ( -0.773 -2.371 -2.817) 3.762 15.853 ( -2.244 0.024 -0.944) 2.435 15.972 ( 2.118 1.220 2.225) 3.306 16.036 ( 0.765 0.437 -0.006) 0.881 16.127 ( 3.192 1.595 -2.531) 4.375 16.233 ( 2.601 -0.040 -5.048) 5.679 18.279 ( 3.077 1.731 2.749) 4.474 18.459 ( 4.283 1.400 -2.558) 5.181 18.598 ( 17.077 -0.229 -5.136) 17.834 18.956 ( 3.243 -3.733 -14.002) 14.850 19.844 ( -0.460 1.181 1.034) 1.636 19.965 ( -1.954 -0.388 -1.235) 2.343 20.156 ( -3.518 -0.589 3.328) 4.879 20.263 ( -3.711 -2.606 2.085) 4.991 20.585 ( 10.066 1.598 7.949) 12.926 20.789 ( 10.892 -2.785 7.043) 13.267 21.782 ( -8.014 3.115 11.832) 14.626 22.269 ( -14.929 -5.703 -0.100) 15.982 23.441 ( 0.565 0.753 3.161) 3.298 23.490 ( -0.778 3.110 4.153) 5.246 23.697 ( 1.974 -4.123 -2.428) 5.176 23.784 ( 0.472 -0.793 -2.859) 3.004 ======================= Grid point 107 (39/64) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 2.819 3.513 13.688) 14.410 1.612 ( -0.539 3.443 5.621) 6.614 1.762 ( 1.974 -0.876 1.646) 2.716 2.019 ( -10.544 -2.509 -0.652) 10.858 2.187 ( 0.965 2.396 3.199) 4.112 2.271 ( 2.611 7.742 4.464) 9.311 2.369 ( 5.214 2.691 8.541) 10.363 2.537 ( -8.448 -0.559 3.553) 9.182 2.676 ( -5.842 5.653 3.524) 8.861 2.737 ( -7.568 0.566 0.283) 7.594 2.878 ( -1.494 2.281 2.650) 3.803 2.943 ( -10.313 8.035 -1.528) 13.162 3.172 ( 6.628 1.648 -4.752) 8.320 3.275 ( 5.408 -1.132 4.707) 7.258 3.438 ( -1.181 -10.498 7.270) 12.824 3.508 ( 1.932 6.252 9.211) 11.299 3.605 ( 5.532 -4.423 4.941) 8.636 3.616 ( 8.387 2.434 3.907) 9.567 3.856 ( -6.922 -2.168 8.250) 10.985 3.947 ( -3.209 5.248 6.631) 9.044 4.005 ( -3.715 1.407 12.150) 12.783 4.071 ( -4.898 3.119 13.572) 14.762 4.288 ( 7.080 3.644 5.892) 9.906 4.397 ( 2.869 0.993 2.537) 3.957 4.403 ( 3.117 0.954 7.351) 8.042 4.568 ( 4.482 0.191 4.068) 6.056 4.691 ( -5.711 -2.399 5.675) 8.401 4.726 ( -0.034 -1.616 -0.369) 1.658 4.949 ( 4.647 -0.522 9.744) 10.808 5.012 ( 6.630 0.419 10.665) 12.565 5.113 ( -0.397 -3.983 9.631) 10.430 5.195 ( -0.408 -3.440 13.447) 13.886 5.431 ( 0.128 0.889 -4.141) 4.238 5.623 ( -6.723 -0.912 -8.426) 10.818 5.819 ( -0.283 0.459 2.574) 2.630 5.968 ( -1.528 4.097 -0.200) 4.377 6.107 ( 5.827 2.416 -0.480) 6.326 6.179 ( 0.746 -0.630 -1.370) 1.682 6.629 ( 5.583 -5.034 6.581) 9.991 6.766 ( 2.924 -1.187 -1.868) 3.667 6.949 ( -2.576 -4.089 2.233) 5.323 7.103 ( -0.023 -0.807 2.410) 2.541 7.156 ( -5.727 6.348 3.336) 9.178 7.301 ( -9.433 1.779 -4.554) 10.625 7.558 ( -3.442 -1.661 -4.075) 5.587 7.650 ( -7.408 1.554 -2.630) 8.013 7.929 ( 0.804 -0.722 -4.063) 4.205 7.981 ( -0.196 -2.109 -5.209) 5.624 8.305 ( 2.818 -1.496 -2.083) 3.810 8.365 ( 0.666 0.381 -2.281) 2.406 8.578 ( 4.643 0.048 2.857) 5.452 8.695 ( 2.337 -3.737 0.782) 4.477 8.877 ( -4.359 4.461 -3.383) 7.095 9.048 ( -8.042 0.306 0.290) 8.053 9.259 ( 4.800 -0.450 -6.606) 8.178 9.446 ( 1.710 2.262 0.621) 2.903 9.607 ( -2.059 -2.278 -10.032) 10.491 9.665 ( 2.207 -1.140 -6.210) 6.689 9.797 ( -2.879 -9.630 -2.566) 10.373 10.003 ( -4.237 0.223 -1.810) 4.612 10.155 ( 2.464 0.042 1.150) 2.720 10.218 ( -0.620 -3.243 -4.572) 5.640 10.319 ( 3.978 -2.190 -8.742) 9.851 10.371 ( 6.389 -3.039 -6.804) 9.816 10.555 ( -1.406 5.696 -0.737) 5.913 10.613 ( -4.336 -0.061 -0.577) 4.374 10.820 ( 7.522 -2.098 -1.264) 7.910 10.907 ( 3.931 1.073 -3.879) 5.626 11.198 ( 5.324 -1.113 4.210) 6.878 11.311 ( 4.175 1.340 -6.216) 7.607 11.384 ( 8.114 -0.899 -3.178) 8.760 11.492 ( 5.895 3.499 1.125) 6.947 11.716 ( -5.296 -1.240 4.736) 7.212 11.875 ( -8.493 2.317 3.739) 9.565 12.048 ( 2.980 0.625 -0.309) 3.060 12.234 ( -2.700 -1.250 0.362) 2.998 12.340 ( 1.567 3.721 -1.377) 4.266 12.381 ( -0.300 2.529 -2.800) 3.785 12.473 ( -2.104 -1.065 1.646) 2.876 12.650 ( -8.663 1.658 -0.671) 8.845 12.914 ( 4.734 1.122 -2.142) 5.316 13.077 ( -3.330 -0.708 -3.597) 4.953 13.277 ( 1.396 3.332 1.632) 3.965 13.349 ( 2.792 -0.923 0.221) 2.949 13.365 ( -0.058 -1.008 -2.929) 3.098 13.400 ( -1.564 -1.375 -1.883) 2.807 13.439 ( -2.141 -0.922 -4.027) 4.653 13.483 ( -2.362 -0.465 -2.672) 3.597 13.571 ( -1.351 -2.164 -2.310) 3.441 13.630 ( -3.653 -2.889 -0.844) 4.733 14.115 ( -1.638 2.585 4.720) 5.625 14.158 ( -2.686 2.869 5.119) 6.454 14.734 ( 1.035 -1.495 2.380) 2.995 14.792 ( -1.597 -1.741 0.658) 2.452 15.018 ( -0.612 5.916 1.712) 6.189 15.113 ( -4.698 2.821 -1.405) 5.657 15.701 ( 1.812 -0.303 1.860) 2.614 15.752 ( 1.086 -0.299 -3.411) 3.593 15.772 ( -0.904 -1.555 -1.382) 2.268 15.806 ( -2.387 -0.361 -1.079) 2.644 16.014 ( 2.083 1.357 0.996) 2.678 16.053 ( 0.478 0.716 0.000) 0.861 16.192 ( 3.094 1.230 -2.254) 4.021 16.258 ( 0.014 0.300 -3.718) 3.730 18.363 ( 5.026 2.855 -0.081) 5.781 18.495 ( -0.276 2.906 -3.493) 4.552 18.904 ( 12.068 -7.721 -10.410) 17.709 19.045 ( 4.619 -4.578 -12.531) 14.118 19.837 ( 0.107 1.860 -0.319) 1.891 19.913 ( -3.119 1.558 -1.039) 3.638 20.116 ( -0.556 -0.141 3.538) 3.584 20.186 ( -3.712 -1.186 1.959) 4.362 20.832 ( 14.644 1.293 6.951) 16.261 21.035 ( 12.867 -1.803 3.942) 13.578 21.585 ( -10.607 1.384 14.387) 17.928 21.919 ( -19.825 -3.688 7.037) 21.358 23.455 ( 0.764 1.258 2.409) 2.823 23.479 ( -0.455 2.544 2.829) 3.831 23.736 ( 1.979 -3.847 -1.932) 4.738 23.787 ( -0.313 -1.714 -2.078) 2.712 ======================= Grid point 108 (40/64) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -12.869 -4.497 0.487) 13.641 1.442 ( 12.869 -4.497 0.487) 13.641 1.855 ( -6.149 1.210 -1.210) 6.383 1.855 ( 6.149 1.210 -1.210) 6.383 2.249 ( -5.516 1.865 4.231) 7.198 2.249 ( 5.516 1.865 4.231) 7.198 2.478 ( -8.649 5.917 6.483) 12.322 2.478 ( 8.649 5.917 6.483) 12.322 2.594 ( -6.311 6.682 4.081) 10.057 2.594 ( 6.311 6.682 4.081) 10.057 2.850 ( -0.223 4.114 0.685) 4.177 2.850 ( 0.223 4.114 0.685) 4.177 3.290 ( -3.626 -0.684 -2.863) 4.670 3.290 ( 3.626 -0.684 -2.863) 4.670 3.452 ( -3.522 -7.191 2.015) 8.257 3.452 ( 3.522 -7.191 2.015) 8.257 3.713 ( -6.425 -4.604 10.248) 12.943 3.713 ( 6.425 -4.604 10.248) 12.943 3.843 ( -8.746 8.956 4.012) 13.145 3.843 ( 8.746 8.956 4.012) 13.145 3.996 ( -2.744 3.234 13.856) 14.491 3.996 ( 2.744 3.234 13.856) 14.491 4.395 ( -3.186 3.163 5.347) 6.982 4.395 ( 3.186 3.163 5.347) 6.982 4.501 ( -6.916 -1.155 11.229) 13.239 4.501 ( 6.916 -1.155 11.229) 13.239 4.709 ( -3.104 -2.160 -0.179) 3.786 4.709 ( 3.104 -2.160 -0.179) 3.786 5.027 ( -4.270 0.713 9.206) 10.173 5.027 ( 4.270 0.713 9.206) 10.173 5.148 ( -4.037 -2.244 13.411) 14.184 5.148 ( 4.037 -2.244 13.411) 14.184 5.493 ( -5.973 -2.235 -6.635) 9.203 5.493 ( 5.973 -2.235 -6.635) 9.203 5.876 ( -5.448 3.657 4.468) 7.938 5.876 ( 5.448 3.657 4.468) 7.938 6.187 ( -1.598 -0.360 0.876) 1.858 6.187 ( 1.598 -0.360 0.876) 1.858 6.755 ( -5.789 -6.526 -0.327) 8.730 6.755 ( 5.789 -6.526 -0.327) 8.730 6.970 ( -8.078 2.448 2.553) 8.819 6.970 ( 8.078 2.448 2.553) 8.819 7.171 ( -4.559 3.111 1.367) 5.686 7.171 ( 4.559 3.111 1.367) 5.686 7.549 ( -2.864 0.264 -5.374) 6.096 7.549 ( 2.864 0.264 -5.374) 6.096 7.962 ( -1.812 -1.887 -3.969) 4.754 7.962 ( 1.812 -1.887 -3.969) 4.754 8.349 ( -1.773 0.162 -2.023) 2.695 8.349 ( 1.773 0.162 -2.023) 2.695 8.671 ( -4.315 -1.721 -0.294) 4.655 8.671 ( 4.315 -1.721 -0.294) 4.655 8.902 ( -6.201 2.530 -1.400) 6.842 8.902 ( 6.201 2.530 -1.400) 6.842 9.385 ( -7.081 -0.376 -6.943) 9.924 9.385 ( 7.081 -0.376 -6.943) 9.924 9.626 ( -3.633 -4.019 -4.437) 7.003 9.626 ( 3.633 -4.019 -4.437) 7.003 9.873 ( -7.556 -3.758 -2.248) 8.734 9.873 ( 7.556 -3.758 -2.248) 8.734 10.198 ( -1.736 -1.139 -1.039) 2.322 10.198 ( 1.736 -1.139 -1.039) 2.322 10.412 ( -3.798 -3.401 -6.716) 8.432 10.412 ( 3.798 -3.401 -6.716) 8.432 10.541 ( -2.186 2.777 -0.943) 3.658 10.541 ( 2.186 2.777 -0.943) 3.658 10.926 ( -2.492 -0.533 -3.251) 4.130 10.926 ( 2.492 -0.533 -3.251) 4.130 11.282 ( -3.907 0.026 0.646) 3.960 11.282 ( 3.907 0.026 0.646) 3.960 11.571 ( -8.353 2.615 2.236) 9.034 11.571 ( 8.353 2.615 2.236) 9.034 11.678 ( -10.395 2.685 -0.147) 10.738 11.678 ( 10.395 2.685 -0.147) 10.738 12.147 ( -5.807 -0.225 -0.030) 5.812 12.147 ( 5.807 -0.225 -0.030) 5.812 12.374 ( -0.995 2.799 -2.193) 3.693 12.374 ( 0.995 2.799 -2.193) 3.693 12.502 ( -5.454 0.042 -0.317) 5.464 12.502 ( 5.454 0.042 -0.317) 5.464 13.003 ( -4.294 -0.070 -3.942) 5.830 13.003 ( 4.294 -0.070 -3.942) 5.830 13.322 ( -2.820 1.785 0.164) 3.342 13.322 ( 2.820 1.785 0.164) 3.342 13.384 ( -1.883 -1.474 -3.982) 4.645 13.384 ( 1.883 -1.474 -3.982) 4.645 13.443 ( -2.955 -0.167 -1.660) 3.394 13.443 ( 2.955 -0.167 -1.660) 3.394 13.572 ( -1.676 -4.766 -0.569) 5.084 13.572 ( 1.676 -4.766 -0.569) 5.084 14.116 ( -1.401 4.727 5.301) 7.240 14.116 ( 1.401 4.727 5.301) 7.240 14.760 ( -1.590 -1.582 1.743) 2.841 14.760 ( 1.590 -1.582 1.743) 2.841 15.039 ( -2.683 3.185 0.139) 4.167 15.039 ( 2.683 3.185 0.139) 4.167 15.741 ( -2.129 -0.241 1.394) 2.557 15.741 ( 2.129 -0.241 1.394) 2.557 15.772 ( -1.063 -1.137 -3.474) 3.807 15.772 ( 1.063 -1.137 -3.474) 3.807 16.046 ( -1.119 1.128 0.423) 1.644 16.046 ( 1.119 1.128 0.423) 1.644 16.240 ( -1.813 0.681 -2.748) 3.362 16.240 ( 1.813 0.681 -2.748) 3.362 18.452 ( -3.808 3.228 -2.619) 5.637 18.452 ( 3.808 3.228 -2.619) 5.637 19.059 ( -3.935 -7.774 -11.209) 14.197 19.059 ( 3.935 -7.774 -11.209) 14.197 19.859 ( -2.157 2.751 -1.003) 3.637 19.859 ( 2.157 2.751 -1.003) 3.637 20.130 ( -1.965 -0.462 2.637) 3.321 20.130 ( 1.965 -0.462 2.637) 3.321 21.097 ( -9.887 1.729 3.080) 10.499 21.097 ( 9.887 1.729 3.080) 10.499 21.572 ( -13.084 -2.853 14.040) 19.403 21.572 ( 13.084 -2.853 14.040) 19.403 23.469 ( -0.621 1.874 2.161) 2.927 23.469 ( 0.621 1.874 2.161) 2.927 23.770 ( -1.383 -2.881 -1.679) 3.610 23.770 ( 1.383 -2.881 -1.679) 3.610 ======================= Grid point 112 (41/64) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.000 14.038 6.813) 15.604 1.786 ( 0.000 9.671 12.146) 15.526 1.885 ( 0.000 7.006 14.018) 15.671 2.047 ( 0.000 -1.393 3.751) 4.001 2.218 ( 0.000 -9.424 0.386) 9.432 2.246 ( 0.000 -6.858 12.501) 14.258 2.425 ( 0.000 11.536 10.641) 15.694 2.641 ( 0.000 10.779 9.238) 14.196 2.838 ( 0.000 6.264 -3.464) 7.158 2.994 ( 0.000 -6.247 9.762) 11.590 2.997 ( 0.000 3.407 25.370) 25.598 3.014 ( 0.000 -3.993 4.074) 5.705 3.148 ( 0.000 -0.442 -10.030) 10.040 3.258 ( 0.000 -0.429 2.907) 2.939 3.272 ( 0.000 1.550 5.087) 5.318 3.325 ( 0.000 -4.666 2.112) 5.122 3.695 ( 0.000 4.432 -3.983) 5.959 3.871 ( 0.000 12.162 10.627) 16.151 3.894 ( 0.000 -0.642 1.734) 1.849 3.922 ( 0.000 2.418 4.768) 5.346 4.008 ( 0.000 3.285 6.142) 6.966 4.101 ( 0.000 -0.916 0.437) 1.015 4.235 ( 0.000 1.020 1.763) 2.037 4.455 ( 0.000 -8.815 -3.362) 9.434 4.466 ( 0.000 -1.137 18.398) 18.433 4.562 ( 0.000 -3.999 9.343) 10.163 4.609 ( 0.000 4.544 0.047) 4.545 4.703 ( 0.000 -4.450 7.263) 8.518 4.714 ( 0.000 2.326 9.812) 10.084 4.837 ( 0.000 -5.191 6.966) 8.687 5.031 ( 0.000 -0.602 10.826) 10.843 5.079 ( 0.000 -3.404 8.882) 9.512 5.671 ( 0.000 0.475 -11.268) 11.278 5.680 ( 0.000 3.476 -8.711) 9.379 5.819 ( 0.000 4.582 -7.345) 8.658 5.920 ( 0.000 3.129 -9.103) 9.625 6.047 ( 0.000 0.369 1.078) 1.140 6.201 ( 0.000 -7.333 -6.749) 9.966 6.476 ( 0.000 4.092 11.690) 12.386 6.666 ( 0.000 -2.585 2.837) 3.838 6.904 ( 0.000 -1.400 11.354) 11.440 6.972 ( 0.000 -8.681 3.796) 9.474 7.389 ( 0.000 8.753 -3.314) 9.360 7.591 ( 0.000 -1.859 -8.225) 8.432 7.715 ( 0.000 5.021 -4.918) 7.028 7.843 ( 0.000 -0.840 -1.047) 1.342 8.024 ( 0.000 -1.033 0.248) 1.062 8.030 ( 0.000 -2.729 -3.453) 4.401 8.116 ( 0.000 -3.982 0.371) 3.999 8.135 ( 0.000 -3.062 3.094) 4.353 8.554 ( 0.000 2.290 5.516) 5.973 8.571 ( 0.000 -0.382 4.600) 4.616 9.119 ( 0.000 -0.502 1.669) 1.743 9.172 ( 0.000 -2.142 -4.014) 4.550 9.243 ( 0.000 2.151 -9.726) 9.961 9.503 ( 0.000 -5.873 -14.914) 16.028 9.569 ( 0.000 8.906 -2.629) 9.286 9.629 ( 0.000 1.455 -6.479) 6.641 9.863 ( 0.000 -5.574 -6.980) 8.933 9.954 ( 0.000 -4.244 -2.618) 4.987 10.175 ( 0.000 7.163 4.540) 8.480 10.214 ( 0.000 1.133 -11.636) 11.691 10.230 ( 0.000 3.834 -2.090) 4.367 10.301 ( 0.000 1.123 -10.364) 10.425 10.445 ( 0.000 -6.105 -3.935) 7.263 10.590 ( 0.000 -7.149 -1.763) 7.363 10.774 ( 0.000 11.207 -0.406) 11.214 10.848 ( 0.000 4.536 -1.756) 4.864 10.965 ( 0.000 -2.266 0.613) 2.348 10.997 ( 0.000 -3.983 3.024) 5.001 11.208 ( 0.000 -6.794 -2.993) 7.424 11.239 ( 0.000 -4.677 -2.121) 5.136 11.849 ( 0.000 1.297 6.509) 6.637 11.876 ( 0.000 -1.977 8.755) 8.975 12.150 ( 0.000 -0.562 7.120) 7.142 12.239 ( 0.000 -3.021 3.954) 4.976 12.406 ( 0.000 0.695 -4.366) 4.421 12.460 ( 0.000 3.071 0.524) 3.116 12.558 ( 0.000 2.968 0.259) 2.980 12.783 ( 0.000 -3.055 -0.231) 3.064 12.947 ( 0.000 4.286 2.064) 4.757 13.133 ( 0.000 -5.321 -0.328) 5.331 13.202 ( 0.000 5.814 -3.791) 6.941 13.381 ( 0.000 -3.265 -5.275) 6.204 13.401 ( 0.000 3.544 1.059) 3.698 13.413 ( 0.000 2.424 -6.639) 7.067 13.481 ( 0.000 1.358 -2.394) 2.752 13.579 ( 0.000 -4.616 -2.906) 5.455 13.604 ( 0.000 4.909 0.319) 4.919 13.738 ( 0.000 -0.996 -3.915) 4.040 14.133 ( 0.000 -3.088 5.172) 6.024 14.154 ( 0.000 -4.340 4.272) 6.090 14.711 ( 0.000 0.210 0.535) 0.575 14.785 ( 0.000 -2.972 -1.610) 3.380 15.326 ( 0.000 5.977 -3.702) 7.030 15.332 ( 0.000 3.903 -2.028) 4.399 15.669 ( 0.000 1.510 1.004) 1.813 15.746 ( 0.000 -2.427 -1.099) 2.664 15.768 ( 0.000 2.859 1.979) 3.477 15.863 ( 0.000 -1.693 -0.388) 1.737 15.975 ( 0.000 2.067 1.888) 2.799 16.035 ( 0.000 -0.225 -0.584) 0.626 16.128 ( 0.000 1.932 -3.579) 4.067 16.182 ( 0.000 -0.749 -4.797) 4.855 18.298 ( 0.000 1.666 4.385) 4.691 18.329 ( 0.000 0.788 2.356) 2.485 18.581 ( 0.000 6.561 -4.946) 8.216 18.827 ( 0.000 -6.332 -11.928) 13.505 19.880 ( 0.000 2.092 -1.144) 2.385 19.958 ( 0.000 -1.703 -3.724) 4.095 20.190 ( 0.000 -0.994 4.349) 4.461 20.223 ( 0.000 -3.034 8.627) 9.145 20.532 ( 0.000 2.032 6.543) 6.851 20.613 ( 0.000 -2.828 9.323) 9.743 21.958 ( 0.000 6.452 8.469) 10.647 22.264 ( 0.000 -9.201 0.251) 9.204 23.464 ( 0.000 2.355 1.903) 3.028 23.576 ( 0.000 4.677 1.543) 4.925 23.595 ( 0.000 -4.300 -1.691) 4.621 23.743 ( 0.000 -3.074 -2.799) 4.158 ======================= Grid point 113 (42/64) ======================= q-point: ( 0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -13.727 11.206 17.082) 24.613 1.744 ( 0.473 8.335 3.098) 8.905 1.808 ( -6.955 3.898 7.300) 10.810 2.098 ( -7.134 -5.702 1.908) 9.330 2.172 ( 5.080 -1.272 3.707) 6.416 2.280 ( 3.724 -2.503 8.290) 9.427 2.420 ( 0.321 9.693 12.592) 15.894 2.687 ( 1.385 2.990 2.418) 4.088 2.798 ( -3.220 6.473 0.773) 7.271 2.880 ( -8.747 -0.309 -0.421) 8.763 2.932 ( -6.360 -4.630 5.106) 9.379 3.060 ( 4.025 0.507 9.873) 10.674 3.176 ( 4.938 0.845 6.979) 8.591 3.272 ( -0.783 -4.245 6.584) 7.872 3.313 ( 1.142 1.992 -1.864) 2.957 3.424 ( 9.138 -1.696 4.048) 10.137 3.624 ( -4.520 12.475 0.958) 13.303 3.713 ( -6.486 9.213 4.381) 12.089 3.926 ( -2.177 0.261 7.732) 8.037 3.975 ( 4.316 -0.804 7.143) 8.384 4.093 ( 4.417 1.147 0.561) 4.598 4.129 ( -3.585 1.144 5.419) 6.597 4.266 ( 5.811 0.054 5.999) 8.352 4.337 ( -3.584 -5.028 1.632) 6.387 4.429 ( -6.014 1.676 6.961) 9.350 4.527 ( 3.199 -0.182 7.561) 8.212 4.656 ( 0.713 -4.371 2.401) 5.038 4.680 ( -1.395 -3.574 5.161) 6.431 4.842 ( 7.239 0.520 16.069) 17.632 4.867 ( 4.711 -1.044 9.702) 10.836 5.040 ( 0.787 -1.748 8.530) 8.743 5.091 ( 0.847 -4.524 10.827) 11.765 5.551 ( -4.911 4.656 -8.049) 10.516 5.708 ( -4.119 -2.785 -8.563) 9.902 5.870 ( 0.618 3.514 -5.409) 6.479 5.930 ( 5.049 3.503 -5.415) 8.191 6.069 ( 2.645 1.266 -3.308) 4.421 6.212 ( -0.330 -3.818 -5.372) 6.599 6.498 ( 2.196 1.926 11.090) 11.468 6.689 ( 1.808 -3.277 1.485) 4.026 6.907 ( 0.148 -1.681 8.193) 8.365 6.986 ( 1.935 -6.470 5.474) 8.693 7.367 ( -2.492 8.021 -1.782) 8.587 7.539 ( -6.404 -0.058 -7.537) 9.891 7.638 ( -6.487 3.052 -5.548) 9.065 7.783 ( -7.229 -3.325 1.712) 8.139 7.944 ( -2.917 -0.841 -2.554) 3.967 7.955 ( -2.836 -2.069 -1.764) 3.929 8.196 ( 5.209 -1.341 -0.607) 5.412 8.247 ( 6.596 -3.772 1.126) 7.682 8.563 ( 1.275 2.212 5.264) 5.850 8.599 ( 2.217 -0.220 2.939) 3.688 9.060 ( -5.269 1.997 -2.033) 5.990 9.140 ( -3.479 -2.889 -1.365) 4.723 9.249 ( 0.781 3.486 -8.811) 9.507 9.463 ( -2.516 -1.818 -6.234) 6.964 9.567 ( 0.711 1.108 -8.850) 8.947 9.641 ( 0.518 2.818 -5.842) 6.507 9.800 ( -8.296 -6.044 -7.569) 12.754 9.944 ( 1.106 -7.690 -5.232) 9.367 10.151 ( -2.081 4.072 1.588) 4.841 10.199 ( -1.885 1.323 -2.065) 3.093 10.251 ( 1.401 0.449 -10.655) 10.756 10.277 ( 0.474 -0.604 -9.758) 9.788 10.573 ( 8.424 -2.224 -1.899) 8.918 10.622 ( 4.154 -2.944 -0.156) 5.094 10.758 ( -1.172 7.638 2.313) 8.066 10.854 ( 1.840 1.426 0.966) 2.520 11.047 ( 7.533 -0.060 -0.691) 7.565 11.155 ( 12.648 1.049 -1.320) 12.760 11.242 ( 2.452 -4.356 -4.795) 6.927 11.317 ( 8.308 -5.107 -2.517) 10.072 11.810 ( -3.193 1.469 9.064) 9.722 11.896 ( 1.145 -2.263 8.125) 8.512 12.120 ( -3.052 1.072 5.717) 6.568 12.223 ( -1.239 -2.723 4.361) 5.289 12.390 ( -1.048 0.836 -4.670) 4.858 12.449 ( -1.510 -0.010 1.793) 2.344 12.535 ( -2.051 5.309 -0.475) 5.711 12.767 ( -2.387 -3.377 -0.179) 4.139 12.932 ( -0.668 5.250 -0.758) 5.347 13.132 ( -0.889 -2.156 -3.992) 4.623 13.214 ( 1.828 1.383 -1.382) 2.677 13.356 ( -2.306 -1.882 -4.801) 5.649 13.388 ( -1.393 2.047 -3.551) 4.329 13.395 ( -1.308 1.755 -0.868) 2.355 13.476 ( -0.382 1.184 -3.041) 3.286 13.553 ( -2.555 -1.847 -1.919) 3.691 13.579 ( -2.289 1.498 -1.485) 3.113 13.681 ( -5.209 -2.047 -3.085) 6.391 14.144 ( 1.062 -0.720 5.704) 5.847 14.172 ( 1.472 -2.103 5.228) 5.825 14.709 ( -0.016 0.077 0.572) 0.578 14.775 ( -0.865 -2.668 -1.200) 3.050 15.240 ( -6.825 6.550 -0.719) 9.486 15.277 ( -5.334 3.252 -1.450) 6.413 15.674 ( 0.658 0.638 0.070) 0.919 15.729 ( -0.591 -1.717 -0.664) 1.934 15.772 ( -0.214 1.256 -0.509) 1.372 15.838 ( -2.192 -1.455 -0.311) 2.649 16.001 ( 2.164 1.751 1.378) 3.106 16.042 ( 0.936 -0.010 -0.456) 1.041 16.165 ( 3.158 2.228 -2.839) 4.796 16.227 ( 2.943 -0.716 -4.297) 5.257 18.332 ( 4.636 3.750 1.237) 6.090 18.459 ( 8.850 -1.681 -1.498) 9.132 18.629 ( 5.016 3.737 -4.017) 7.434 18.853 ( 2.675 -6.792 -11.420) 13.554 19.878 ( -0.040 2.330 -1.795) 2.942 19.950 ( -0.739 -1.169 -3.441) 3.708 20.149 ( -2.532 0.048 5.911) 6.430 20.209 ( -2.133 -2.899 5.983) 6.982 20.621 ( 9.383 2.197 7.724) 12.351 20.728 ( 10.672 -3.451 8.528) 14.090 21.867 ( -9.121 5.790 9.426) 14.337 22.138 ( -12.429 -7.796 2.896) 14.954 23.472 ( 0.794 2.428 1.410) 2.917 23.559 ( -1.000 3.471 0.369) 3.631 23.619 ( 1.773 -3.273 -0.847) 3.818 23.743 ( -0.190 -3.428 -2.410) 4.194 ======================= Grid point 114 (43/64) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -6.062 7.813 8.814) 13.247 1.608 ( -12.796 -2.823 0.511) 13.114 1.767 ( 1.787 0.931 1.568) 2.554 1.928 ( -7.585 -6.617 -0.262) 10.069 2.260 ( 2.019 4.798 4.682) 7.001 2.389 ( 4.369 1.279 6.522) 7.953 2.442 ( 2.430 6.475 9.865) 12.048 2.593 ( -6.476 4.955 -0.148) 8.156 2.740 ( -0.637 -0.497 5.462) 5.522 2.785 ( -1.847 5.374 0.514) 5.706 2.917 ( 2.232 3.128 4.383) 5.829 3.102 ( -4.525 5.674 -2.087) 7.552 3.182 ( 1.612 -0.207 1.541) 2.240 3.247 ( 1.065 -7.297 8.267) 11.078 3.339 ( -0.074 5.657 -6.748) 8.806 3.507 ( -2.340 -2.775 -0.981) 3.760 3.543 ( -1.904 0.186 6.200) 6.488 3.776 ( -7.826 -4.423 6.854) 11.304 3.820 ( 9.804 11.670 8.963) 17.682 4.018 ( -1.281 3.009 7.267) 7.969 4.040 ( -0.174 1.144 8.789) 8.865 4.122 ( -4.271 2.302 6.697) 8.270 4.320 ( 7.306 -0.716 7.408) 10.429 4.387 ( 2.418 2.280 7.636) 8.328 4.463 ( 5.966 0.768 2.749) 6.613 4.585 ( -0.533 1.808 7.532) 7.764 4.614 ( -2.316 -6.587 5.383) 8.816 4.679 ( 1.368 -3.283 0.513) 3.594 4.940 ( 4.794 0.155 14.634) 15.400 5.001 ( 6.264 -1.401 12.771) 14.294 5.059 ( 0.791 -0.959 10.689) 10.761 5.110 ( 1.294 -4.635 8.903) 10.120 5.468 ( -4.085 2.848 -2.322) 5.494 5.588 ( -7.593 -2.795 -5.354) 9.703 5.872 ( 2.234 4.922 -0.334) 5.416 6.031 ( 2.390 1.963 -4.306) 5.302 6.132 ( 2.364 -0.881 -1.919) 3.170 6.173 ( -1.950 0.589 -1.575) 2.575 6.559 ( 4.121 -1.269 8.243) 9.303 6.705 ( -0.828 -5.349 0.795) 5.471 6.917 ( 1.621 0.805 4.023) 4.412 7.036 ( 1.836 -4.613 6.362) 8.071 7.279 ( -6.374 6.199 2.226) 9.166 7.358 ( -9.338 2.668 -7.348) 12.179 7.542 ( -2.741 0.095 -6.046) 6.639 7.635 ( -6.512 -3.098 -2.018) 7.489 7.917 ( -0.105 -0.325 -1.501) 1.539 7.939 ( -0.305 -1.921 -2.118) 2.876 8.287 ( 4.099 -0.283 -0.720) 4.171 8.342 ( 2.698 -2.449 -1.058) 3.794 8.600 ( 2.565 2.070 3.397) 4.733 8.649 ( 2.515 -1.105 1.489) 3.124 8.955 ( -4.275 3.822 -4.319) 7.179 9.050 ( -5.558 -0.457 -2.475) 6.101 9.281 ( 3.019 2.557 -6.219) 7.371 9.451 ( 0.274 -2.578 0.139) 2.597 9.574 ( -1.867 -1.277 -13.072) 13.266 9.622 ( -6.519 -5.631 -5.156) 10.039 9.669 ( 3.308 1.136 -5.421) 6.452 9.931 ( -4.613 -8.559 -6.994) 11.977 10.096 ( -1.897 -2.217 -2.048) 3.565 10.146 ( -2.316 -4.309 -4.010) 6.325 10.301 ( 3.930 0.049 -9.625) 10.397 10.342 ( 3.777 -0.632 -8.404) 9.236 10.635 ( 1.304 3.904 1.770) 4.481 10.722 ( -1.895 8.635 4.690) 10.008 10.787 ( 7.989 -1.398 1.637) 8.275 10.903 ( 2.269 -1.284 -1.191) 2.867 11.186 ( 5.716 -0.417 -1.559) 5.939 11.282 ( 1.079 -3.980 -6.275) 7.509 11.411 ( 12.479 3.302 -1.901) 13.047 11.512 ( 10.293 -1.411 -2.491) 10.683 11.742 ( -3.281 4.087 10.994) 12.179 11.890 ( -3.266 -1.135 11.234) 11.754 12.071 ( 0.067 2.130 -0.092) 2.133 12.197 ( -1.856 -2.816 3.358) 4.759 12.381 ( 0.497 0.263 -3.613) 3.656 12.419 ( -0.893 -1.171 -0.950) 1.752 12.493 ( -1.792 5.768 0.723) 6.083 12.663 ( -7.939 -1.171 -0.211) 8.028 12.957 ( 2.936 3.777 -5.177) 7.049 13.089 ( -3.246 0.955 -7.332) 8.075 13.270 ( 3.201 -3.672 -1.694) 5.158 13.316 ( -1.386 -2.890 -3.954) 5.090 13.362 ( -0.766 1.121 -1.189) 1.805 13.376 ( -0.157 1.439 -0.771) 1.640 13.465 ( -1.538 1.690 -2.926) 3.712 13.495 ( -2.438 0.872 -1.897) 3.209 13.533 ( -2.116 -1.680 -2.729) 3.840 13.566 ( -6.066 -3.081 -1.344) 6.935 14.169 ( 1.377 2.422 7.031) 7.563 14.195 ( 0.594 0.995 6.925) 7.022 14.716 ( 0.737 -0.285 0.577) 0.978 14.757 ( -0.995 -1.874 -0.325) 2.146 15.126 ( -4.086 4.828 0.584) 6.352 15.166 ( -5.282 2.281 -0.565) 5.781 15.698 ( 1.798 0.074 0.036) 1.799 15.731 ( 0.623 -1.563 -1.521) 2.268 15.761 ( -0.812 0.223 -2.024) 2.192 15.791 ( -2.523 -1.053 -0.660) 2.813 16.042 ( 1.904 1.454 1.156) 2.660 16.064 ( 0.950 0.373 0.562) 1.165 16.221 ( 2.343 1.722 -2.711) 3.975 16.261 ( 0.521 -0.135 -3.402) 3.444 18.444 ( 6.051 5.577 -2.035) 8.477 18.562 ( 1.507 3.589 -5.842) 7.020 18.765 ( 7.855 -6.083 -5.253) 11.239 18.910 ( 1.920 -8.881 -9.775) 13.346 19.884 ( 0.707 2.583 -2.952) 3.986 19.931 ( -1.240 0.238 -3.159) 3.402 20.116 ( -0.688 0.369 5.769) 5.822 20.159 ( -2.523 -1.579 5.190) 5.983 20.867 ( 15.226 2.484 6.983) 16.934 20.986 ( 14.980 -3.232 6.012) 16.461 21.633 ( -13.834 3.767 12.703) 19.156 21.829 ( -18.364 -5.611 8.412) 20.963 23.493 ( 1.313 2.795 0.502) 3.129 23.541 ( -0.960 3.747 -0.071) 3.869 23.658 ( 2.177 -4.075 -0.904) 4.708 23.731 ( -1.140 -4.007 -1.693) 4.497 ======================= Grid point 115 (44/64) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -7.521 -0.749 -1.319) 7.673 1.392 ( 7.521 -0.749 -1.319) 7.673 1.820 ( -3.912 -3.733 1.019) 5.503 1.820 ( 3.912 -3.733 1.019) 5.503 2.310 ( -4.985 4.190 4.735) 8.051 2.310 ( 4.985 4.190 4.735) 8.051 2.551 ( -3.580 0.779 5.422) 6.544 2.551 ( 3.580 0.779 5.422) 6.544 2.755 ( -2.281 8.131 4.275) 9.466 2.755 ( 2.281 8.131 4.275) 9.466 2.969 ( -4.644 8.256 -0.267) 9.476 2.969 ( 4.644 8.256 -0.267) 9.476 3.272 ( -2.349 -1.407 4.008) 4.854 3.272 ( 2.349 -1.407 4.008) 4.854 3.362 ( -6.383 -1.742 -6.885) 9.549 3.362 ( 6.383 -1.742 -6.885) 9.549 3.611 ( -6.193 -5.846 8.266) 11.868 3.611 ( 6.193 -5.846 8.266) 11.868 3.986 ( -4.233 5.612 3.379) 7.800 3.986 ( 4.233 5.612 3.379) 7.800 4.048 ( -3.492 1.956 10.657) 11.384 4.048 ( 3.492 1.956 10.657) 11.384 4.456 ( -4.337 -0.834 8.006) 9.143 4.456 ( 4.337 -0.834 8.006) 9.143 4.489 ( -7.561 3.816 8.615) 12.081 4.489 ( 7.561 3.816 8.615) 12.081 4.662 ( -4.012 -2.660 1.988) 5.207 4.662 ( 4.012 -2.660 1.988) 5.207 5.025 ( -3.353 -1.808 11.541) 12.153 5.025 ( 3.353 -1.808 11.541) 12.153 5.108 ( -2.873 -0.802 11.980) 12.346 5.108 ( 2.873 -0.802 11.980) 12.346 5.453 ( -4.351 -1.843 -2.890) 5.539 5.453 ( 4.351 -1.843 -2.890) 5.539 5.967 ( -6.465 5.832 0.795) 8.743 5.967 ( 6.465 5.832 0.795) 8.743 6.165 ( -1.457 -2.333 -0.492) 2.795 6.165 ( 1.457 -2.333 -0.492) 2.795 6.649 ( -4.568 -4.428 3.843) 7.433 6.649 ( 4.568 -4.428 3.843) 7.433 6.989 ( -5.433 -0.070 4.083) 6.797 6.989 ( 5.433 -0.070 4.083) 6.797 7.236 ( -3.185 3.453 -1.697) 4.994 7.236 ( 3.185 3.453 -1.697) 4.994 7.544 ( -2.728 -0.975 -5.598) 6.303 7.544 ( 2.728 -0.975 -5.598) 6.303 7.927 ( -0.803 -1.374 -1.284) 2.045 7.927 ( 0.803 -1.374 -1.284) 2.045 8.347 ( -1.817 -0.401 -1.221) 2.226 8.347 ( 1.817 -0.401 -1.221) 2.226 8.655 ( -2.270 0.028 1.527) 2.736 8.655 ( 2.270 0.028 1.527) 2.736 8.948 ( -3.756 2.258 -4.356) 6.179 8.948 ( 3.756 2.258 -4.356) 6.179 9.376 ( -6.504 -0.697 -3.447) 7.394 9.376 ( 6.504 -0.697 -3.447) 7.394 9.562 ( -2.150 -2.404 -6.914) 7.629 9.562 ( 2.150 -2.404 -6.914) 7.629 9.789 ( -8.147 -4.588 -5.833) 11.020 9.789 ( 8.147 -4.588 -5.833) 11.020 10.104 ( -1.821 -5.401 -4.168) 7.061 10.104 ( 1.821 -5.401 -4.168) 7.061 10.367 ( -1.664 -2.071 -9.426) 9.793 10.367 ( 1.664 -2.071 -9.426) 9.793 10.671 ( -2.625 9.169 4.560) 10.572 10.671 ( 2.625 9.169 4.560) 10.572 10.902 ( -3.104 -2.189 -0.449) 3.824 10.902 ( 3.104 -2.189 -0.449) 3.824 11.264 ( -2.686 -2.034 -3.107) 4.583 11.264 ( 2.686 -2.034 -3.107) 4.583 11.589 ( -4.874 0.354 -1.437) 5.094 11.589 ( 4.874 0.354 -1.437) 5.094 11.768 ( -7.349 5.368 10.336) 13.771 11.768 ( 7.349 5.368 10.336) 13.771 12.133 ( -4.588 -1.323 -0.249) 4.782 12.133 ( 4.588 -1.323 -0.249) 4.782 12.406 ( -1.236 0.351 -2.355) 2.683 12.406 ( 1.236 0.351 -2.355) 2.683 12.516 ( -5.476 1.350 0.367) 5.652 12.516 ( 5.476 1.350 0.367) 5.652 13.021 ( -3.530 2.029 -7.175) 8.250 13.021 ( 3.530 2.029 -7.175) 8.250 13.301 ( -0.517 -3.717 -3.957) 5.454 13.301 ( 0.517 -3.717 -3.957) 5.454 13.381 ( -1.572 0.750 -0.653) 1.860 13.381 ( 1.572 0.750 -0.653) 1.860 13.445 ( -2.922 0.685 -0.727) 3.088 13.445 ( 2.922 0.685 -0.727) 3.088 13.507 ( -0.515 -1.854 -2.413) 3.087 13.507 ( 0.515 -1.854 -2.413) 3.087 14.192 ( -0.839 2.801 7.735) 8.269 14.192 ( 0.839 2.801 7.735) 8.269 14.736 ( -1.188 -0.888 0.364) 1.527 14.736 ( 1.188 -0.888 0.364) 1.527 15.099 ( -1.260 2.650 -0.009) 2.934 15.099 ( 1.260 2.650 -0.009) 2.934 15.736 ( -1.712 -0.231 1.246) 2.130 15.736 ( 1.712 -0.231 1.246) 2.130 15.750 ( -1.124 -1.026 -3.694) 3.995 15.750 ( 1.124 -1.026 -3.694) 3.995 16.068 ( -0.637 0.997 1.160) 1.656 16.068 ( 0.637 0.997 1.160) 1.656 16.254 ( -1.112 0.694 -2.954) 3.232 16.254 ( 1.112 0.694 -2.954) 3.232 18.539 ( -3.449 5.829 -4.686) 8.236 18.539 ( 3.449 5.829 -4.686) 8.236 18.889 ( -4.232 -9.492 -7.872) 13.037 18.889 ( 4.232 -9.492 -7.872) 13.037 19.905 ( -1.358 1.798 -3.328) 4.019 19.905 ( 1.358 1.798 -3.328) 4.019 20.122 ( -1.206 -0.351 5.358) 5.503 20.122 ( 1.206 -0.351 5.357) 5.503 21.137 ( -7.588 2.111 1.589) 8.035 21.137 ( 7.588 2.111 1.589) 8.035 21.511 ( -9.496 -3.197 16.501) 19.305 21.511 ( 9.496 -3.197 16.501) 19.305 23.519 ( -1.285 3.393 -0.057) 3.629 23.519 ( 1.285 3.393 -0.057) 3.629 23.699 ( -2.016 -4.312 -1.164) 4.900 23.699 ( 2.016 -4.312 -1.164) 4.900 ======================= Grid point 119 (45/64) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 0.000 -1.213 5.063) 5.206 1.877 ( 0.000 1.213 5.063) 5.206 2.031 ( 0.000 -3.251 6.314) 7.102 2.031 ( 0.000 3.251 6.314) 7.102 2.106 ( 0.000 -2.669 8.604) 9.009 2.106 ( 0.000 2.669 8.604) 9.009 2.637 ( 0.000 -8.683 7.138) 11.240 2.637 ( 0.000 8.683 7.138) 11.240 2.895 ( 0.000 -2.574 14.258) 14.488 2.895 ( 0.000 2.574 14.258) 14.488 3.039 ( 0.000 -7.269 -2.043) 7.551 3.039 ( 0.000 7.269 -2.043) 7.551 3.189 ( 0.000 -8.891 7.307) 11.508 3.189 ( 0.000 8.891 7.307) 11.508 3.295 ( 0.000 -0.781 0.984) 1.256 3.295 ( 0.000 0.781 0.984) 1.256 3.831 ( 0.000 -7.620 -0.150) 7.621 3.831 ( 0.000 7.620 -0.150) 7.621 3.985 ( 0.000 -4.577 2.496) 5.213 3.985 ( 0.000 4.577 2.496) 5.213 4.039 ( 0.000 -4.437 9.043) 10.073 4.039 ( 0.000 4.437 9.043) 10.073 4.303 ( 0.000 -6.428 -1.648) 6.636 4.303 ( 0.000 6.428 -1.648) 6.636 4.492 ( 0.000 -3.893 15.158) 15.650 4.492 ( 0.000 3.893 15.158) 15.650 4.639 ( 0.000 -0.315 1.167) 1.208 4.639 ( 0.000 0.315 1.167) 1.208 4.767 ( 0.000 -3.385 7.956) 8.647 4.767 ( 0.000 3.385 7.956) 8.647 5.034 ( 0.000 -1.217 10.763) 10.832 5.034 ( 0.000 1.217 10.763) 10.832 5.691 ( 0.000 -1.186 -9.999) 10.069 5.691 ( 0.000 1.186 -9.999) 10.069 5.924 ( 0.000 -3.806 -6.422) 7.465 5.924 ( 0.000 3.806 -6.422) 7.465 6.079 ( 0.000 -4.185 -3.945) 5.751 6.079 ( 0.000 4.185 -3.945) 5.751 6.576 ( 0.000 -6.036 6.178) 8.637 6.576 ( 0.000 6.036 6.178) 8.637 6.892 ( 0.000 -0.729 8.447) 8.479 6.892 ( 0.000 0.729 8.447) 8.479 7.528 ( 0.000 -5.441 -6.995) 8.862 7.528 ( 0.000 5.441 -6.995) 8.862 7.795 ( 0.000 -3.631 -2.504) 4.411 7.795 ( 0.000 3.631 -2.504) 4.411 8.000 ( 0.000 -0.136 1.260) 1.268 8.000 ( 0.000 0.136 1.260) 1.268 8.097 ( 0.000 -0.968 1.983) 2.207 8.097 ( 0.000 0.968 1.983) 2.207 8.574 ( 0.000 -0.003 4.632) 4.632 8.574 ( 0.000 0.003 4.632) 4.632 9.119 ( 0.000 -1.384 -1.126) 1.784 9.119 ( 0.000 1.384 -1.126) 1.784 9.363 ( 0.000 -8.131 -14.528) 16.649 9.363 ( 0.000 8.131 -14.528) 16.649 9.669 ( 0.000 -0.952 -7.176) 7.239 9.669 ( 0.000 0.952 -7.176) 7.239 9.832 ( 0.000 -5.414 -3.522) 6.459 9.832 ( 0.000 5.414 -3.522) 6.459 10.241 ( 0.000 -1.013 -12.343) 12.385 10.241 ( 0.000 1.013 -12.343) 12.385 10.328 ( 0.000 -6.697 0.274) 6.703 10.328 ( 0.000 6.697 0.274) 6.703 10.420 ( 0.000 -9.948 1.677) 10.089 10.420 ( 0.000 9.948 1.677) 10.089 10.903 ( 0.000 -0.117 -3.042) 3.044 10.903 ( 0.000 0.117 -3.042) 3.044 10.950 ( 0.000 -0.163 1.386) 1.395 10.950 ( 0.000 0.163 1.386) 1.395 11.153 ( 0.000 -2.186 -1.770) 2.813 11.153 ( 0.000 2.186 -1.770) 2.813 11.858 ( 0.000 -0.211 9.361) 9.364 11.858 ( 0.000 0.211 9.361) 9.364 12.177 ( 0.000 -3.026 8.023) 8.574 12.177 ( 0.000 3.026 8.023) 8.574 12.432 ( 0.000 -2.205 -1.515) 2.675 12.432 ( 0.000 2.205 -1.515) 2.675 12.686 ( 0.000 -6.943 -1.485) 7.100 12.686 ( 0.000 6.943 -1.485) 7.100 13.035 ( 0.000 -5.043 0.527) 5.071 13.035 ( 0.000 5.043 0.527) 5.071 13.310 ( 0.000 -4.831 -5.872) 7.604 13.310 ( 0.000 4.831 -5.872) 7.604 13.445 ( 0.000 -0.226 -3.571) 3.578 13.445 ( 0.000 0.226 -3.571) 3.578 13.507 ( 0.000 -2.372 -2.595) 3.516 13.507 ( 0.000 2.372 -2.595) 3.516 13.691 ( 0.000 -3.897 -1.421) 4.148 13.691 ( 0.000 3.897 -1.421) 4.148 14.107 ( 0.000 -0.458 5.304) 5.324 14.107 ( 0.000 0.458 5.304) 5.324 14.734 ( 0.000 -2.195 -1.135) 2.471 14.734 ( 0.000 2.195 -1.135) 2.471 15.374 ( 0.000 -0.249 -2.628) 2.639 15.374 ( 0.000 0.249 -2.628) 2.639 15.705 ( 0.000 -2.096 0.487) 2.152 15.705 ( 0.000 2.096 0.487) 2.152 15.821 ( 0.000 -2.687 1.085) 2.898 15.821 ( 0.000 2.687 1.085) 2.898 16.015 ( 0.000 -1.887 -0.076) 1.888 16.015 ( 0.000 1.887 -0.076) 1.888 16.161 ( 0.000 -1.490 -3.940) 4.212 16.161 ( 0.000 1.490 -3.940) 4.212 18.327 ( 0.000 -1.034 3.145) 3.310 18.327 ( 0.000 1.034 3.145) 3.310 18.704 ( 0.000 -6.613 -8.057) 10.423 18.704 ( 0.000 6.613 -8.057) 10.423 19.921 ( 0.000 -2.175 -3.733) 4.321 19.921 ( 0.000 2.175 -3.733) 4.321 20.186 ( 0.000 -0.806 7.984) 8.025 20.186 ( 0.000 0.806 7.984) 8.025 20.568 ( 0.000 -2.027 8.117) 8.367 20.568 ( 0.000 2.027 8.117) 8.367 22.098 ( 0.000 -8.383 4.644) 9.583 22.098 ( 0.000 8.383 4.644) 9.583 23.520 ( 0.000 -3.566 0.035) 3.566 23.520 ( 0.000 3.566 0.035) 3.566 23.667 ( 0.000 -4.795 -1.437) 5.006 23.667 ( 0.000 4.795 -1.437) 5.006 ======================= Grid point 121 (46/64) ======================= q-point: ( 0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -10.252 -4.882 7.808) 13.781 1.748 ( -10.252 4.882 7.808) 13.781 1.951 ( -8.870 -8.348 1.722) 12.302 1.951 ( -8.870 8.348 1.722) 12.302 2.207 ( 8.884 -3.709 7.582) 12.254 2.207 ( 8.884 3.709 7.582) 12.254 2.625 ( -0.201 -10.094 10.156) 14.320 2.625 ( -0.201 10.094 10.156) 14.320 2.852 ( -7.225 -2.330 -0.787) 7.632 2.852 ( -7.225 2.330 -0.787) 7.632 2.981 ( 0.632 -8.692 7.322) 11.383 2.981 ( 0.632 8.692 7.322) 11.383 3.206 ( -0.151 -4.129 3.127) 5.182 3.206 ( -0.151 4.129 3.127) 5.182 3.383 ( 6.188 -3.162 0.472) 6.965 3.383 ( 6.188 3.162 0.472) 6.965 3.842 ( -7.735 -6.373 4.014) 10.796 3.842 ( -7.735 6.373 4.014) 10.796 3.914 ( 3.098 -6.109 6.977) 9.777 3.914 ( 3.098 6.109 6.977) 9.777 4.149 ( 8.522 -4.123 3.254) 10.010 4.149 ( 8.522 4.123 3.254) 10.010 4.221 ( -5.026 -2.846 -0.303) 5.784 4.221 ( -5.026 2.846 -0.303) 5.784 4.471 ( -2.033 -2.738 10.218) 10.772 4.471 ( -2.033 2.738 10.218) 10.772 4.645 ( 0.170 -3.049 7.556) 8.150 4.645 ( 0.170 3.049 7.556) 8.150 4.851 ( 7.028 -0.888 10.008) 12.262 4.851 ( 7.028 0.888 10.008) 12.262 5.034 ( 0.187 -1.261 10.527) 10.604 5.034 ( 0.187 1.261 10.527) 10.604 5.636 ( -4.571 -4.383 -8.135) 10.310 5.636 ( -4.571 4.383 -8.135) 10.310 5.946 ( 1.205 -2.708 -5.012) 5.822 5.946 ( 1.205 2.708 -5.012) 5.822 6.116 ( 3.233 -4.720 -4.994) 7.594 6.116 ( 3.233 4.720 -4.994) 7.594 6.587 ( 0.827 -6.340 6.265) 8.951 6.587 ( 0.827 6.340 6.265) 8.951 6.911 ( 2.034 -2.115 7.411) 7.970 6.911 ( 2.034 2.115 7.411) 7.970 7.493 ( -3.978 -4.885 -6.283) 8.897 7.493 ( -3.978 4.885 -6.283) 8.897 7.705 ( -8.523 -4.082 -1.191) 9.524 7.705 ( -8.523 4.082 -1.191) 9.524 7.935 ( -2.165 -0.224 -0.216) 2.187 7.935 ( -2.165 0.224 -0.216) 2.187 8.195 ( 6.180 -1.367 1.181) 6.439 8.195 ( 6.180 1.367 1.181) 6.439 8.594 ( 1.834 -0.931 4.158) 4.639 8.594 ( 1.834 0.931 4.158) 4.639 9.089 ( -2.932 -1.884 -2.081) 4.059 9.089 ( -2.932 1.884 -2.081) 4.059 9.356 ( -0.417 -7.035 -11.704) 13.662 9.356 ( -0.417 7.035 -11.704) 13.662 9.643 ( -3.414 -4.598 -7.261) 9.248 9.643 ( -3.414 4.598 -7.261) 9.248 9.791 ( -2.132 -6.850 -4.838) 8.653 9.791 ( -2.132 6.850 -4.838) 8.653 10.202 ( -6.935 -1.514 -3.553) 7.938 10.202 ( -6.935 1.514 -3.553) 7.938 10.272 ( 1.782 -1.155 -9.157) 9.400 10.272 ( 1.782 1.155 -9.157) 9.400 10.570 ( 9.606 -1.774 2.597) 10.108 10.570 ( 9.606 1.774 2.597) 10.108 10.846 ( -0.615 -2.387 1.232) 2.756 10.846 ( -0.615 2.387 1.232) 2.756 11.113 ( 7.646 -5.722 -2.953) 9.996 11.113 ( 7.646 5.722 -2.953) 9.996 11.230 ( 9.848 -3.338 -2.823) 10.775 11.230 ( 9.848 3.338 -2.823) 10.775 11.848 ( -0.910 -2.543 10.519) 10.860 11.848 ( -0.910 2.543 10.519) 10.860 12.164 ( -1.366 -3.252 7.540) 8.324 12.164 ( -1.366 3.252 7.540) 8.324 12.411 ( -1.725 -1.867 -2.308) 3.433 12.411 ( -1.725 1.867 -2.308) 3.433 12.669 ( -1.943 -6.722 -0.618) 7.024 12.669 ( -1.943 6.722 -0.618) 7.024 13.038 ( 0.384 -5.902 -2.091) 6.273 13.038 ( 0.384 5.902 -2.091) 6.273 13.291 ( -1.694 -4.407 -5.548) 7.285 13.291 ( -1.694 4.407 -5.548) 7.285 13.421 ( -2.105 -0.428 -2.821) 3.545 13.421 ( -2.105 0.428 -2.821) 3.545 13.500 ( -0.562 -2.107 -2.898) 3.627 13.500 ( -0.562 2.107 -2.898) 3.627 13.633 ( -5.051 -2.920 -1.340) 5.986 13.633 ( -5.051 2.920 -1.340) 5.986 14.144 ( 3.049 -0.748 6.188) 6.939 14.144 ( 3.049 0.748 6.188) 6.939 14.729 ( -0.337 -1.973 -0.940) 2.211 14.729 ( -0.337 1.973 -0.940) 2.211 15.305 ( -6.262 -0.647 -1.107) 6.392 15.305 ( -6.262 0.647 -1.107) 6.392 15.695 ( -0.205 -1.599 -0.391) 1.658 15.695 ( -0.205 1.599 -0.391) 1.658 15.805 ( -1.464 -1.951 0.156) 2.444 15.805 ( -1.464 1.951 0.156) 2.444 16.031 ( 1.501 -1.231 0.151) 1.947 16.031 ( 1.501 1.231 0.151) 1.947 16.204 ( 3.166 -1.781 -3.417) 4.987 16.204 ( 3.166 1.781 -3.417) 4.987 18.406 ( 7.195 -3.745 0.177) 8.113 18.406 ( 7.195 3.745 0.177) 8.113 18.726 ( 1.912 -6.299 -7.350) 9.866 18.726 ( 1.912 6.299 -7.350) 9.866 19.921 ( -0.021 -1.996 -3.945) 4.421 19.921 ( -0.021 1.996 -3.945) 4.421 20.164 ( -1.831 -1.689 7.512) 7.914 20.164 ( -1.831 1.689 7.512) 7.914 20.668 ( 9.893 -2.874 8.368) 13.272 20.668 ( 9.893 2.874 8.368) 13.272 21.993 ( -10.525 -7.475 6.231) 14.335 21.993 ( -10.525 7.475 6.231) 14.335 23.529 ( 0.931 -3.542 -0.498) 3.697 23.529 ( 0.931 3.542 -0.498) 3.697 23.663 ( -0.444 -4.737 -1.091) 4.881 23.663 ( -0.444 4.737 -1.091) 4.881 ======================= Grid point 123 (47/64) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -11.584 -6.754 3.036) 13.748 1.519 ( -11.584 6.754 3.036) 13.748 1.814 ( -4.396 -4.596 0.225) 6.364 1.814 ( -4.396 4.596 0.225) 6.364 2.347 ( 4.020 -4.174 6.607) 8.788 2.347 ( 4.020 4.174 6.607) 8.788 2.579 ( -4.630 -6.699 7.753) 11.244 2.579 ( -4.630 6.699 7.753) 11.244 2.780 ( 2.608 -4.332 0.648) 5.098 2.780 ( 2.608 4.332 0.648) 5.098 3.055 ( 4.237 -8.466 2.654) 9.832 3.055 ( 4.237 8.466 2.654) 9.832 3.186 ( -0.012 -1.101 2.633) 2.854 3.186 ( -0.012 1.101 2.633) 2.854 3.442 ( -0.834 -4.177 -4.894) 6.488 3.442 ( -0.834 4.177 -4.894) 6.488 3.639 ( -10.669 -8.231 6.388) 14.912 3.639 ( -10.669 8.231 6.388) 14.912 4.006 ( 4.942 -5.542 7.326) 10.431 4.006 ( 4.942 5.542 7.326) 10.431 4.092 ( -4.722 -4.613 1.736) 6.826 4.092 ( -4.722 4.613 1.736) 6.826 4.403 ( 9.339 -7.287 9.976) 15.487 4.403 ( 9.339 7.287 9.976) 15.487 4.452 ( 3.410 -2.376 4.288) 5.972 4.452 ( 3.410 2.376 4.288) 5.972 4.630 ( -1.628 -2.137 7.620) 8.080 4.630 ( -1.628 2.137 7.620) 8.080 4.967 ( 3.611 -2.258 14.506) 15.118 4.967 ( 3.611 2.258 14.506) 15.118 5.058 ( 2.885 -1.057 9.008) 9.517 5.058 ( 2.885 1.057 9.008) 9.517 5.527 ( -6.742 -3.362 -3.112) 8.151 5.527 ( -6.742 3.362 -3.112) 8.151 5.983 ( 3.523 -5.954 -3.412) 7.714 5.983 ( 3.523 5.954 -3.412) 7.714 6.154 ( -0.388 -2.536 -3.285) 4.168 6.154 ( -0.388 2.536 -3.285) 4.168 6.599 ( 0.433 -4.925 7.058) 8.617 6.599 ( 0.433 4.925 7.058) 8.617 6.959 ( 2.409 -3.335 4.892) 6.392 6.959 ( 2.409 3.335 4.892) 6.392 7.365 ( -7.950 -2.335 -3.349) 8.937 7.365 ( -7.950 2.335 -3.349) 8.937 7.568 ( -4.406 -2.895 -3.944) 6.585 7.568 ( -4.406 2.895 -3.944) 6.585 7.918 ( -0.297 -0.429 -0.322) 0.613 7.918 ( -0.297 0.429 -0.322) 0.613 8.299 ( 4.168 -1.624 -0.489) 4.500 8.299 ( 4.168 1.624 -0.489) 4.500 8.634 ( 2.085 -1.150 3.098) 3.908 8.634 ( 2.085 1.150 3.098) 3.908 9.018 ( -3.827 -2.814 -4.219) 6.353 9.018 ( -3.827 2.814 -4.219) 6.353 9.357 ( 0.477 -5.620 -3.512) 6.644 9.357 ( 0.477 5.620 -3.512) 6.644 9.567 ( -3.082 -0.965 -10.308) 10.802 9.567 ( -3.082 0.965 -10.308) 10.802 9.761 ( -1.611 -7.926 -6.533) 10.397 9.761 ( -1.611 7.926 -6.533) 10.397 10.091 ( -3.940 -1.416 -2.726) 4.996 10.091 ( -3.940 1.416 -2.726) 4.996 10.318 ( 2.333 -1.696 -10.799) 11.178 10.318 ( 2.333 1.696 -10.799) 11.178 10.726 ( 6.348 -4.455 4.623) 9.029 10.726 ( 6.348 4.455 4.623) 9.029 10.856 ( 0.476 -4.199 1.422) 4.458 10.856 ( 0.476 4.199 1.422) 4.458 11.206 ( 3.067 -3.164 -4.318) 6.170 11.206 ( 3.067 3.164 -4.318) 6.170 11.470 ( 11.625 -2.715 -3.345) 12.398 11.470 ( 11.625 2.715 -3.345) 12.398 11.832 ( -0.525 -4.635 13.583) 14.362 11.832 ( -0.525 4.635 13.583) 14.362 12.131 ( -1.688 -3.905 3.394) 5.442 12.131 ( -1.688 3.905 3.394) 5.442 12.390 ( 0.090 -1.078 -3.270) 3.444 12.390 ( 0.090 1.078 -3.270) 3.444 12.603 ( -4.841 -4.944 0.602) 6.946 12.603 ( -4.841 4.944 0.602) 6.946 13.047 ( 0.440 -5.021 -7.331) 8.896 13.047 ( 0.440 5.021 -7.331) 8.896 13.261 ( -1.033 -2.444 -4.024) 4.820 13.261 ( -1.033 2.444 -4.024) 4.820 13.385 ( -1.027 -0.888 -1.524) 2.041 13.385 ( -1.027 0.888 -1.524) 2.041 13.488 ( -0.745 -1.158 -3.085) 3.379 13.488 ( -0.745 1.158 -3.085) 3.379 13.530 ( -4.915 -1.036 -0.835) 5.092 13.530 ( -4.915 1.036 -0.835) 5.092 14.197 ( 2.036 -0.669 7.838) 8.125 14.197 ( 2.036 0.669 7.838) 8.125 14.726 ( 0.055 -1.274 -0.467) 1.358 14.726 ( 0.055 1.274 -0.467) 1.358 15.181 ( -5.433 -0.940 -0.082) 5.515 15.181 ( -5.433 0.940 -0.082) 5.515 15.707 ( 1.245 -0.917 -1.069) 1.880 15.707 ( 1.245 0.917 -1.069) 1.880 15.772 ( -1.825 -0.885 -1.028) 2.274 15.772 ( -1.825 0.885 -1.028) 2.274 16.063 ( 1.481 -0.612 1.001) 1.889 16.063 ( 1.481 0.612 1.001) 1.889 16.249 ( 1.372 -1.157 -3.065) 3.552 16.249 ( 1.372 1.157 -3.065) 3.552 18.554 ( 6.943 -5.120 -5.194) 10.070 18.554 ( 6.943 5.120 -5.194) 10.070 18.758 ( 0.915 -5.939 -5.515) 8.156 18.758 ( 0.915 5.939 -5.515) 8.156 19.921 ( 0.042 -1.279 -4.427) 4.608 19.921 ( 0.042 1.279 -4.427) 4.608 20.132 ( -1.306 -1.244 7.086) 7.312 20.132 ( -1.306 1.244 7.086) 7.312 20.923 ( 15.628 -3.340 6.997) 17.446 20.923 ( 15.628 3.340 6.997) 17.446 21.722 ( -16.445 -5.505 10.423) 20.233 21.722 ( -16.445 5.505 10.423) 20.233 23.554 ( 1.474 -3.188 -1.683) 3.894 23.554 ( 1.474 3.188 -1.683) 3.894 23.650 ( -0.937 -3.989 -0.228) 4.104 23.650 ( -0.937 3.989 -0.228) 4.104 ======================= Grid point 125 (48/64) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 0.000 -2.593) 2.593 1.392 ( 0.000 0.000 -2.593) 2.593 1.774 ( 0.000 0.000 1.764) 1.764 1.774 ( 0.000 0.000 1.764) 1.764 2.362 ( 0.000 0.000 4.900) 4.900 2.362 ( 0.000 0.000 4.900) 4.900 2.545 ( 0.000 -0.000 7.810) 7.810 2.545 ( 0.000 0.000 7.810) 7.810 2.832 ( 0.000 0.000 2.550) 2.550 2.832 ( 0.000 0.000 2.550) 2.550 3.072 ( 0.000 0.000 -2.346) 2.346 3.072 ( 0.000 0.000 -2.346) 2.346 3.268 ( -0.000 0.000 9.051) 9.051 3.268 ( 0.000 0.000 9.051) 9.051 3.351 ( 0.000 0.000 -10.008) 10.008 3.351 ( -0.000 0.000 -10.008) 10.008 3.536 ( 0.000 0.000 5.939) 5.939 3.536 ( -0.000 0.000 5.939) 5.939 4.042 ( -0.000 -0.000 3.479) 3.479 4.042 ( 0.000 0.000 3.479) 3.479 4.063 ( 0.000 -0.000 6.743) 6.743 4.063 ( 0.000 0.000 6.743) 6.743 4.433 ( 0.000 0.000 11.952) 11.952 4.433 ( 0.000 0.000 11.952) 11.952 4.558 ( 0.000 -0.000 6.000) 6.000 4.558 ( 0.000 0.000 6.000) 6.000 4.621 ( -0.000 0.000 1.202) 1.202 4.621 ( 0.000 0.000 1.202) 1.202 4.993 ( 0.000 0.000 15.892) 15.892 4.993 ( 0.000 0.000 15.892) 15.892 5.110 ( -0.000 0.000 10.698) 10.698 5.110 ( 0.000 0.000 10.698) 10.698 5.433 ( -0.000 0.000 -1.402) 1.402 5.433 ( 0.000 0.000 -1.402) 1.402 6.062 ( -0.000 0.000 -3.642) 3.642 6.062 ( 0.000 0.000 -3.642) 3.642 6.108 ( 0.000 -0.000 0.434) 0.434 6.108 ( 0.000 -0.000 0.434) 0.434 6.604 ( 0.000 0.000 7.483) 7.483 6.604 ( 0.000 0.000 7.483) 7.483 6.985 ( -0.000 0.000 3.632) 3.632 6.985 ( 0.000 0.000 3.632) 3.632 7.276 ( 0.000 0.000 -3.280) 3.280 7.276 ( 0.000 0.000 -3.280) 3.280 7.527 ( 0.000 0.000 -4.935) 4.935 7.527 ( 0.000 0.000 -4.935) 4.935 7.915 ( 0.000 0.000 -0.105) 0.105 7.915 ( 0.000 0.000 -0.105) 0.105 8.341 ( 0.000 0.000 -1.154) 1.154 8.341 ( 0.000 0.000 -1.154) 1.154 8.659 ( 0.000 0.000 2.271) 2.271 8.659 ( 0.000 0.000 2.271) 2.271 8.974 ( 0.000 0.000 -5.043) 5.043 8.974 ( 0.000 0.000 -5.043) 5.043 9.364 ( 0.000 -0.000 2.117) 2.117 9.364 ( 0.000 0.000 2.117) 2.117 9.540 ( 0.000 0.000 -13.409) 13.409 9.540 ( -0.000 0.000 -13.409) 13.409 9.739 ( 0.000 0.000 -7.620) 7.620 9.739 ( 0.000 0.000 -7.620) 7.620 10.054 ( 0.000 0.000 -2.518) 2.518 10.054 ( 0.000 0.000 -2.518) 2.518 10.343 ( 0.000 0.000 -10.813) 10.813 10.343 ( 0.000 0.000 -10.813) 10.813 10.807 ( -0.000 -0.000 5.858) 5.858 10.807 ( 0.000 0.000 5.858) 5.858 10.843 ( 0.000 -0.000 0.388) 0.388 10.843 ( -0.000 0.000 0.388) 0.388 11.235 ( 0.000 0.000 -4.005) 4.005 11.235 ( 0.000 0.000 -4.005) 4.005 11.594 ( 0.000 0.000 -3.188) 3.188 11.594 ( 0.000 0.000 -3.188) 3.188 11.829 ( 0.000 0.000 16.065) 16.065 11.829 ( 0.000 0.000 16.065) 16.065 12.113 ( 0.000 0.000 -1.724) 1.724 12.113 ( 0.000 0.000 -1.724) 1.724 12.406 ( 0.000 0.000 -3.123) 3.123 12.406 ( 0.000 0.000 -3.123) 3.123 12.531 ( 0.000 0.000 1.123) 1.123 12.531 ( 0.000 0.000 1.123) 1.123 13.052 ( -0.000 0.000 -9.233) 9.233 13.052 ( 0.000 0.000 -9.233) 9.233 13.253 ( -0.000 -0.000 -3.616) 3.616 13.253 ( 0.000 0.000 -3.616) 3.616 13.385 ( 0.000 0.000 -1.119) 1.119 13.385 ( 0.000 0.000 -1.119) 1.119 13.458 ( 0.000 0.000 -0.380) 0.380 13.458 ( 0.000 0.000 -0.380) 0.380 13.491 ( 0.000 0.000 -2.673) 2.673 13.491 ( 0.000 0.000 -2.673) 2.673 14.217 ( 0.000 0.000 8.622) 8.622 14.217 ( 0.000 0.000 8.622) 8.622 14.728 ( 0.000 0.000 -0.138) 0.138 14.728 ( 0.000 0.000 -0.138) 0.138 15.125 ( 0.000 0.000 -0.169) 0.169 15.125 ( 0.000 0.000 -0.169) 0.169 15.734 ( -0.000 0.000 2.023) 2.023 15.734 ( 0.000 0.000 2.023) 2.023 15.740 ( -0.000 0.000 -4.642) 4.642 15.740 ( 0.000 0.000 -4.642) 4.642 16.078 ( 0.000 0.000 1.515) 1.515 16.078 ( 0.000 0.000 1.515) 1.515 16.261 ( 0.000 0.000 -3.068) 3.068 16.261 ( 0.000 0.000 -3.068) 3.068 18.631 ( 0.000 -0.000 -8.579) 8.579 18.631 ( 0.000 0.000 -8.579) 8.579 18.760 ( 0.000 -0.000 -3.478) 3.478 18.760 ( -0.000 0.000 -3.478) 3.478 19.922 ( 0.000 0.000 -4.706) 4.706 19.922 ( 0.000 0.000 -4.706) 4.706 20.119 ( 0.000 0.000 7.022) 7.022 20.119 ( 0.000 0.000 7.022) 7.022 21.160 ( 0.000 0.000 0.415) 0.415 21.160 ( 0.000 0.000 0.415) 0.415 21.476 ( 0.000 0.000 18.119) 18.119 21.476 ( 0.000 0.000 18.119) 18.119 23.573 ( 0.000 -0.000 -2.788) 2.788 23.573 ( 0.000 0.000 -2.788) 2.788 23.637 ( 0.000 0.000 0.738) 0.738 23.637 ( 0.000 0.000 0.738) 0.738 ======================= Grid point 147 (49/64) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 0.000 23.163) 23.163 1.849 ( 0.000 0.000 7.994) 7.994 2.038 ( 0.000 0.000 -4.120) 4.120 2.107 ( 0.000 0.000 14.542) 14.542 2.257 ( 0.000 0.000 -2.917) 2.917 2.518 ( 0.000 0.000 -13.187) 13.187 2.528 ( 0.000 0.000 10.509) 10.509 2.652 ( 0.000 0.000 -1.345) 1.345 2.718 ( 0.000 0.000 6.193) 6.193 2.718 ( 0.000 0.000 12.982) 12.982 2.924 ( 0.000 0.000 -8.544) 8.544 2.973 ( 0.000 0.000 -13.044) 13.044 3.209 ( 0.000 0.000 6.390) 6.390 3.346 ( 0.000 0.000 -6.752) 6.752 3.517 ( 0.000 0.000 2.718) 2.718 3.579 ( 0.000 0.000 -3.148) 3.148 3.605 ( 0.000 0.000 11.450) 11.450 3.690 ( 0.000 0.000 2.554) 2.554 3.943 ( 0.000 0.000 7.748) 7.748 4.027 ( 0.000 0.000 1.011) 1.011 4.109 ( 0.000 0.000 10.058) 10.058 4.189 ( 0.000 0.000 2.259) 2.259 4.353 ( 0.000 0.000 6.406) 6.406 4.447 ( 0.000 0.000 7.660) 7.660 4.512 ( 0.000 0.000 -8.161) 8.161 4.692 ( 0.000 0.000 -9.646) 9.646 4.850 ( 0.000 0.000 5.425) 5.425 4.855 ( 0.000 0.000 6.311) 6.311 4.952 ( 0.000 0.000 11.622) 11.622 5.054 ( 0.000 0.000 0.623) 0.623 5.239 ( 0.000 0.000 3.769) 3.769 5.264 ( 0.000 0.000 -0.625) 0.625 5.420 ( 0.000 0.000 -4.329) 4.329 5.530 ( 0.000 0.000 8.562) 8.562 5.541 ( 0.000 0.000 -12.023) 12.023 5.682 ( 0.000 0.000 -3.789) 3.789 6.046 ( 0.000 0.000 3.771) 3.771 6.186 ( 0.000 0.000 -8.852) 8.852 6.779 ( 0.000 0.000 8.012) 8.012 6.836 ( 0.000 0.000 16.928) 16.928 6.979 ( 0.000 0.000 -10.071) 10.071 7.140 ( 0.000 0.000 -12.631) 12.631 7.367 ( 0.000 0.000 22.696) 22.696 7.612 ( 0.000 0.000 6.576) 6.576 7.614 ( 0.000 0.000 5.795) 5.795 7.700 ( 0.000 0.000 -8.323) 8.323 7.821 ( 0.000 0.000 -10.590) 10.590 7.833 ( 0.000 0.000 -12.921) 12.921 8.262 ( 0.000 0.000 -0.201) 0.201 8.266 ( 0.000 0.000 -0.677) 0.677 8.695 ( 0.000 0.000 14.459) 14.459 8.789 ( 0.000 0.000 3.036) 3.036 8.904 ( 0.000 0.000 -9.947) 9.947 8.959 ( 0.000 0.000 -9.979) 9.979 9.415 ( 0.000 0.000 1.593) 1.593 9.476 ( 0.000 0.000 -5.657) 5.657 9.479 ( 0.000 0.000 5.085) 5.085 9.499 ( 0.000 0.000 1.164) 1.164 9.874 ( 0.000 0.000 0.430) 0.430 9.992 ( 0.000 0.000 -0.777) 0.777 10.037 ( 0.000 0.000 -9.292) 9.292 10.089 ( 0.000 0.000 -5.796) 5.796 10.186 ( 0.000 0.000 7.967) 7.967 10.252 ( 0.000 0.000 3.305) 3.305 10.363 ( 0.000 0.000 -12.279) 12.279 10.454 ( 0.000 0.000 -12.511) 12.511 10.542 ( 0.000 0.000 7.375) 7.375 10.651 ( 0.000 0.000 -2.622) 2.622 11.099 ( 0.000 0.000 -0.914) 0.914 11.105 ( 0.000 0.000 -1.697) 1.697 11.371 ( 0.000 0.000 3.153) 3.153 11.391 ( 0.000 0.000 0.389) 0.389 11.953 ( 0.000 0.000 9.477) 9.477 12.083 ( 0.000 0.000 -0.838) 0.838 12.101 ( 0.000 0.000 5.482) 5.482 12.145 ( 0.000 0.000 -3.656) 3.656 12.171 ( 0.000 0.000 -7.730) 7.730 12.243 ( 0.000 0.000 -7.380) 7.380 12.738 ( 0.000 0.000 4.695) 4.695 12.805 ( 0.000 0.000 -1.816) 1.816 12.968 ( 0.000 0.000 10.358) 10.358 13.177 ( 0.000 0.000 -9.757) 9.757 13.291 ( 0.000 0.000 5.066) 5.066 13.310 ( 0.000 0.000 2.858) 2.858 13.355 ( 0.000 0.000 1.640) 1.640 13.393 ( 0.000 0.000 2.923) 2.923 13.400 ( 0.000 0.000 -5.574) 5.574 13.518 ( 0.000 0.000 2.340) 2.340 13.533 ( 0.000 0.000 -6.983) 6.983 13.601 ( 0.000 0.000 -5.906) 5.906 14.355 ( 0.000 0.000 0.930) 0.930 14.361 ( 0.000 0.000 -0.132) 0.132 14.808 ( 0.000 0.000 2.688) 2.688 14.843 ( 0.000 0.000 -0.909) 0.909 15.015 ( 0.000 0.000 4.677) 4.677 15.105 ( 0.000 0.000 -4.234) 4.234 15.681 ( 0.000 0.000 1.979) 1.979 15.739 ( 0.000 0.000 -3.616) 3.616 15.772 ( 0.000 0.000 4.197) 4.197 15.842 ( 0.000 0.000 -2.371) 2.371 16.017 ( 0.000 0.000 2.740) 2.740 16.028 ( 0.000 0.000 -0.481) 0.481 16.046 ( 0.000 0.000 -0.115) 0.115 16.073 ( 0.000 0.000 -4.689) 4.689 18.320 ( 0.000 0.000 1.522) 1.522 18.358 ( 0.000 0.000 -2.184) 2.184 18.438 ( 0.000 0.000 9.702) 9.702 18.669 ( 0.000 0.000 -12.931) 12.931 19.895 ( 0.000 0.000 2.851) 2.851 19.956 ( 0.000 0.000 -2.919) 2.919 20.238 ( 0.000 0.000 1.856) 1.856 20.297 ( 0.000 0.000 -3.500) 3.500 20.671 ( 0.000 0.000 9.541) 9.541 20.778 ( 0.000 0.000 -0.335) 0.335 22.089 ( 0.000 0.000 12.425) 12.425 22.322 ( 0.000 0.000 -10.091) 10.091 23.543 ( 0.000 0.000 5.187) 5.187 23.586 ( 0.000 0.000 5.701) 5.701 23.643 ( 0.000 0.000 -4.356) 4.356 23.692 ( 0.000 0.000 -4.631) 4.631 ======================= Grid point 148 (50/64) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 1.974 0.000 18.069) 18.176 1.814 ( -8.790 0.000 14.927) 17.323 1.919 ( -9.517 0.000 13.890) 16.837 2.070 ( 3.384 0.000 -1.697) 3.785 2.241 ( 0.487 0.000 -7.719) 7.734 2.256 ( -19.045 0.000 -11.947) 22.482 2.508 ( -2.258 0.000 10.158) 10.406 2.681 ( -3.349 0.000 -6.634) 7.432 2.699 ( 0.427 0.000 3.855) 3.879 2.845 ( -2.989 0.000 -5.371) 6.147 2.917 ( 6.222 0.000 6.419) 8.940 3.006 ( -7.199 0.000 4.448) 8.462 3.017 ( -11.283 0.000 -5.049) 12.361 3.134 ( 1.059 0.000 -7.491) 7.565 3.619 ( 1.811 0.000 10.511) 10.666 3.678 ( -1.378 0.000 2.289) 2.672 3.728 ( 9.376 0.000 3.558) 10.028 3.756 ( 8.750 0.000 0.552) 8.768 3.947 ( -5.141 0.000 8.084) 9.581 3.994 ( 5.153 0.000 4.607) 6.912 4.159 ( 5.077 0.000 5.924) 7.802 4.224 ( 1.819 0.000 1.951) 2.667 4.369 ( -0.239 0.000 5.901) 5.906 4.459 ( -3.920 0.000 1.270) 4.121 4.514 ( 1.786 0.000 -4.065) 4.440 4.526 ( -8.117 0.000 -3.194) 8.723 4.641 ( -7.678 0.000 7.548) 10.767 4.800 ( -5.250 0.000 -5.835) 7.850 5.090 ( 5.633 0.000 7.874) 9.681 5.140 ( 2.695 0.000 2.208) 3.483 5.232 ( 3.489 0.000 9.768) 10.373 5.408 ( 10.084 0.000 0.625) 10.103 5.472 ( 3.655 0.000 6.636) 7.576 5.509 ( -2.129 0.000 -8.018) 8.295 5.679 ( 12.256 0.000 -4.172) 12.947 5.716 ( 4.145 0.000 -3.470) 5.406 6.040 ( 0.108 0.000 5.393) 5.394 6.179 ( -0.609 0.000 -6.611) 6.639 6.761 ( -1.076 0.000 6.547) 6.635 6.872 ( 2.696 0.000 14.878) 15.120 6.951 ( -2.760 0.000 -10.512) 10.868 7.134 ( -0.699 0.000 -9.918) 9.942 7.318 ( -4.268 0.000 18.857) 19.334 7.482 ( -10.340 0.000 3.480) 10.910 7.638 ( 0.111 0.000 5.596) 5.597 7.722 ( -1.223 0.000 -5.345) 5.483 7.772 ( -2.934 0.000 -9.926) 10.350 7.808 ( -2.214 0.000 -10.630) 10.858 8.261 ( 0.462 0.000 -0.276) 0.538 8.279 ( 1.517 0.000 -1.403) 2.066 8.664 ( -2.747 0.000 7.937) 8.399 8.802 ( 1.547 0.000 6.837) 7.010 8.805 ( -6.930 0.000 -8.707) 11.128 9.011 ( 2.998 0.000 -10.588) 11.005 9.297 ( -8.391 0.000 4.620) 9.579 9.438 ( -3.926 0.000 -7.204) 8.204 9.498 ( 2.094 0.000 4.395) 4.869 9.563 ( 3.586 0.000 -0.838) 3.683 9.883 ( 0.051 0.000 0.710) 0.712 9.989 ( -0.884 0.000 -6.034) 6.099 10.073 ( 2.455 0.000 -3.180) 4.018 10.078 ( 3.960 0.000 -5.799) 7.022 10.236 ( 2.818 0.000 10.344) 10.721 10.328 ( 5.297 0.000 -1.032) 5.396 10.368 ( -0.253 0.000 -5.670) 5.676 10.495 ( 4.372 0.000 -12.238) 12.995 10.626 ( 7.218 0.000 4.629) 8.575 10.725 ( 6.772 0.000 -2.926) 7.377 11.111 ( 1.521 0.000 -1.809) 2.363 11.120 ( 2.976 0.000 -2.181) 3.690 11.391 ( 1.880 0.000 3.729) 4.176 11.419 ( 2.598 0.000 0.259) 2.610 11.936 ( -4.041 0.000 8.243) 9.180 12.008 ( -7.464 0.000 -0.517) 7.482 12.024 ( -1.794 0.000 0.534) 1.872 12.145 ( -0.637 0.000 -9.092) 9.114 12.227 ( 4.525 0.000 0.989) 4.632 12.297 ( 3.036 0.000 -4.174) 5.162 12.680 ( -5.716 0.000 4.836) 7.487 12.750 ( -5.596 0.000 -2.002) 5.944 12.944 ( -1.593 0.000 8.206) 8.359 13.110 ( -5.027 0.000 -7.117) 8.713 13.283 ( -0.173 0.000 4.178) 4.181 13.334 ( 1.495 0.000 2.143) 2.613 13.366 ( -0.203 0.000 -2.341) 2.349 13.379 ( -0.542 0.000 -2.415) 2.475 13.402 ( -0.621 0.000 2.733) 2.802 13.523 ( -2.884 0.000 -6.819) 7.404 13.554 ( 3.452 0.000 0.762) 3.536 13.590 ( 0.844 0.000 -2.797) 2.921 14.269 ( -7.508 0.000 1.124) 7.592 14.279 ( -6.782 0.000 0.448) 6.797 14.808 ( 0.103 0.000 2.540) 2.542 14.839 ( -0.370 0.000 -0.556) 0.668 15.008 ( -0.604 0.000 3.928) 3.974 15.085 ( -1.948 0.000 -3.648) 4.136 15.690 ( 0.683 0.000 0.955) 1.174 15.732 ( -0.683 0.000 -2.636) 2.723 15.771 ( 0.194 0.000 3.269) 3.274 15.830 ( -0.889 0.000 -1.845) 2.048 15.999 ( 0.201 0.000 1.060) 1.079 16.025 ( -0.197 0.000 -1.184) 1.200 16.093 ( 3.966 0.000 0.901) 4.067 16.136 ( 3.587 0.000 -3.438) 4.968 18.340 ( 1.306 0.000 3.147) 3.407 18.391 ( 2.278 0.000 -2.175) 3.150 18.574 ( 12.910 0.000 3.396) 13.349 18.725 ( 5.953 0.000 -10.677) 12.225 19.881 ( -1.418 0.000 2.433) 2.816 19.933 ( -2.324 0.000 -2.492) 3.408 20.199 ( -3.128 0.000 1.983) 3.704 20.252 ( -3.807 0.000 -2.868) 4.766 20.769 ( 9.132 0.000 8.825) 12.699 20.874 ( 8.970 0.000 -0.939) 9.019 22.014 ( -7.403 0.000 11.928) 14.039 22.222 ( -9.825 0.000 -8.001) 12.671 23.531 ( -1.019 0.000 3.612) 3.753 23.545 ( -2.344 0.000 2.986) 3.796 23.696 ( 3.424 0.000 -1.862) 3.898 23.713 ( 1.897 0.000 -2.993) 3.543 ======================= Grid point 149 (51/64) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -8.527 0.000 16.878) 18.910 1.784 ( -3.850 0.000 7.420) 8.360 1.825 ( -4.579 0.000 1.651) 4.867 1.877 ( -17.403 0.000 -11.856) 21.057 2.183 ( 7.532 0.000 3.910) 8.486 2.275 ( 2.960 0.000 -1.133) 3.169 2.493 ( 1.161 0.000 6.247) 6.354 2.592 ( -3.975 0.000 -3.616) 5.374 2.679 ( -6.725 0.000 3.447) 7.556 2.727 ( -11.692 0.000 -0.316) 11.696 2.761 ( -2.141 0.000 -1.288) 2.498 2.815 ( -2.817 0.000 -3.729) 4.673 3.176 ( 9.222 0.000 2.176) 9.475 3.232 ( 5.098 0.000 -4.132) 6.563 3.590 ( -6.801 0.000 1.247) 6.914 3.611 ( -6.476 0.000 -0.884) 6.536 3.840 ( 5.432 0.000 14.863) 15.825 3.844 ( 3.974 0.000 5.129) 6.488 3.925 ( 0.634 0.000 4.414) 4.459 4.045 ( -1.087 0.000 8.536) 8.605 4.217 ( -2.722 0.000 2.663) 3.808 4.259 ( -5.875 0.000 5.709) 8.192 4.277 ( 4.518 0.000 -3.943) 5.996 4.426 ( 6.287 0.000 8.712) 10.744 4.523 ( -3.201 0.000 -13.894) 14.258 4.556 ( 5.023 0.000 -2.720) 5.712 4.601 ( 1.928 0.000 6.446) 6.728 4.698 ( -4.688 0.000 -3.266) 5.714 5.172 ( 2.719 0.000 2.629) 3.782 5.189 ( 4.606 0.000 7.619) 8.903 5.345 ( 5.990 0.000 8.437) 10.348 5.442 ( -2.026 0.000 -6.303) 6.621 5.513 ( -0.191 0.000 8.316) 8.319 5.525 ( -0.252 0.000 7.685) 7.689 5.853 ( 7.012 0.000 -2.562) 7.465 5.854 ( 4.062 0.000 -1.184) 4.231 6.111 ( 7.744 0.000 3.707) 8.586 6.183 ( 1.916 0.000 -1.309) 2.320 6.759 ( 1.157 0.000 2.790) 3.021 6.883 ( -4.057 0.000 -8.157) 9.110 6.925 ( 3.243 0.000 12.037) 12.467 7.119 ( -0.463 0.000 -4.495) 4.518 7.232 ( -4.359 0.000 9.178) 10.160 7.264 ( -11.676 0.000 2.258) 11.892 7.549 ( -6.439 0.000 -0.155) 6.441 7.590 ( -8.867 0.000 -1.982) 9.085 7.791 ( 2.967 0.000 -5.864) 6.572 7.817 ( 1.593 0.000 -8.285) 8.437 8.289 ( 1.820 0.000 -0.176) 1.828 8.307 ( 1.099 0.000 -1.474) 1.838 8.616 ( -1.552 0.000 0.434) 1.612 8.683 ( -5.184 0.000 -6.747) 8.509 8.853 ( 3.852 0.000 8.567) 9.393 9.048 ( -1.251 0.000 -6.436) 6.556 9.160 ( -3.010 0.000 1.866) 3.541 9.332 ( -6.496 0.000 -11.058) 12.825 9.559 ( 3.772 0.000 4.073) 5.551 9.616 ( 1.665 0.000 -0.922) 1.903 9.884 ( 0.498 0.000 1.472) 1.554 9.954 ( -2.523 0.000 -4.520) 5.176 10.155 ( 3.698 0.000 -5.010) 6.227 10.155 ( 3.237 0.000 -4.762) 5.758 10.312 ( 5.459 0.000 10.647) 11.965 10.370 ( 0.585 0.000 -1.705) 1.802 10.405 ( 3.107 0.000 -1.693) 3.538 10.562 ( 1.046 0.000 -7.289) 7.364 10.738 ( 3.289 0.000 0.074) 3.290 10.820 ( 1.322 0.000 -4.520) 4.709 11.217 ( 9.889 0.000 -0.092) 9.889 11.259 ( 11.416 0.000 -3.073) 11.823 11.431 ( 2.034 0.000 4.673) 5.096 11.472 ( 2.559 0.000 0.593) 2.627 11.787 ( -10.016 0.000 2.291) 10.275 11.823 ( -11.405 0.000 -1.264) 11.474 12.050 ( 2.864 0.000 1.335) 3.160 12.137 ( -0.648 0.000 -6.477) 6.510 12.299 ( 2.904 0.000 1.497) 3.267 12.336 ( 1.110 0.000 -0.837) 1.390 12.553 ( -6.047 0.000 3.572) 7.023 12.610 ( -7.770 0.000 -1.879) 7.994 12.934 ( 0.761 0.000 3.436) 3.520 13.025 ( -3.634 0.000 -4.621) 5.878 13.286 ( 0.440 0.000 2.539) 2.577 13.335 ( -2.102 0.000 -2.129) 2.991 13.354 ( 0.461 0.000 0.283) 0.540 13.376 ( -1.556 0.000 1.385) 2.083 13.385 ( 0.478 0.000 -2.270) 2.320 13.441 ( -3.987 0.000 -3.715) 5.449 13.623 ( 2.964 0.000 0.477) 3.002 13.629 ( 2.164 0.000 -0.380) 2.197 14.144 ( -4.629 0.000 1.193) 4.780 14.152 ( -5.208 0.000 0.527) 5.234 14.813 ( 0.379 0.000 2.013) 2.048 14.831 ( -0.459 0.000 0.212) 0.505 14.998 ( -0.295 0.000 2.170) 2.190 15.040 ( -2.360 0.000 -2.026) 3.110 15.701 ( 0.437 0.000 -0.587) 0.732 15.718 ( -0.611 0.000 -1.879) 1.976 15.783 ( 0.884 0.000 2.395) 2.553 15.816 ( -0.681 0.000 -0.355) 0.768 16.015 ( 1.071 0.000 0.464) 1.167 16.031 ( 0.398 0.000 -0.996) 1.073 16.158 ( 2.587 0.000 0.141) 2.591 16.184 ( 1.356 0.000 -2.475) 2.822 18.367 ( 1.492 0.000 2.016) 2.508 18.412 ( -0.115 0.000 -2.360) 2.363 18.835 ( 11.725 0.000 -2.697) 12.031 18.875 ( 7.964 0.000 -6.236) 10.115 19.847 ( -1.816 0.000 1.390) 2.287 19.875 ( -3.311 0.000 -1.177) 3.514 20.149 ( -1.633 0.000 1.119) 1.979 20.181 ( -3.098 0.000 -1.790) 3.578 20.982 ( 11.893 0.000 7.283) 13.946 21.073 ( 10.076 0.000 -1.306) 10.161 21.839 ( -9.106 0.000 10.320) 13.763 21.982 ( -13.686 0.000 -3.283) 14.075 23.513 ( -0.893 0.000 2.030) 2.217 23.513 ( -0.890 0.000 2.029) 2.216 23.750 ( 1.964 0.000 -1.256) 2.331 23.750 ( 1.641 0.000 -1.310) 2.100 ======================= Grid point 150 (52/64) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -8.542 0.000 3.405) 9.195 1.575 ( 8.542 0.000 3.405) 9.195 1.767 ( -0.240 0.000 -1.795) 1.811 1.767 ( 0.240 0.000 -1.795) 1.811 2.304 ( -2.538 0.000 2.470) 3.541 2.304 ( 2.538 0.000 2.470) 3.541 2.538 ( -2.364 0.000 1.242) 2.671 2.538 ( 2.364 0.000 1.242) 2.671 2.577 ( -1.257 0.000 2.700) 2.979 2.577 ( 1.257 0.000 2.700) 2.979 2.780 ( -1.507 0.000 -1.857) 2.391 2.780 ( 1.507 0.000 -1.857) 2.391 3.300 ( -0.881 0.000 0.482) 1.004 3.300 ( 0.881 0.000 0.482) 1.004 3.486 ( -1.441 0.000 -2.769) 3.121 3.486 ( 1.441 0.000 -2.769) 3.121 3.899 ( -1.507 0.000 2.913) 3.280 3.899 ( 1.507 0.000 2.913) 3.280 3.985 ( -5.379 0.000 15.193) 16.118 3.985 ( 5.379 0.000 15.193) 16.118 4.182 ( -1.049 0.000 6.108) 6.197 4.182 ( 1.049 0.000 6.108) 6.197 4.396 ( -6.735 0.000 -10.230) 12.248 4.396 ( 6.735 0.000 -10.230) 12.248 4.578 ( -4.412 0.000 -0.093) 4.413 4.578 ( 4.412 0.000 -0.093) 4.413 4.638 ( -1.328 0.000 1.311) 1.866 4.638 ( 1.328 0.000 1.311) 1.866 5.227 ( -1.460 0.000 4.333) 4.572 5.227 ( 1.460 0.000 4.333) 4.572 5.426 ( -0.857 0.000 2.024) 2.198 5.426 ( 0.857 0.000 2.024) 2.198 5.491 ( -0.889 0.000 9.631) 9.672 5.491 ( 0.889 0.000 9.631) 9.672 5.897 ( -1.165 0.000 -0.013) 1.165 5.897 ( 1.165 0.000 -0.013) 1.165 6.220 ( -1.063 0.000 1.899) 2.176 6.220 ( 1.063 0.000 1.899) 2.176 6.806 ( -3.546 0.000 -1.736) 3.948 6.806 ( 3.546 0.000 -1.736) 3.948 7.037 ( -8.887 0.000 8.126) 12.042 7.037 ( 8.887 0.000 8.126) 12.042 7.157 ( -2.754 0.000 -1.950) 3.375 7.157 ( 2.754 0.000 -1.950) 3.375 7.485 ( -0.954 0.000 -0.895) 1.308 7.485 ( 0.954 0.000 -0.895) 1.308 7.830 ( -0.634 0.000 -6.570) 6.600 7.830 ( 0.634 0.000 -6.570) 6.600 8.313 ( -0.512 0.000 -0.502) 0.717 8.313 ( 0.512 0.000 -0.502) 0.717 8.616 ( -1.658 0.000 -3.933) 4.268 8.616 ( 1.658 0.000 -3.933) 4.268 8.950 ( -6.030 0.000 6.003) 8.508 8.950 ( 6.030 0.000 6.003) 8.508 9.211 ( -5.536 0.000 -9.903) 11.345 9.211 ( 5.536 0.000 -9.903) 11.345 9.617 ( -1.671 0.000 0.865) 1.882 9.617 ( 1.671 0.000 0.865) 1.882 9.907 ( -1.965 0.000 -0.298) 1.988 9.907 ( 1.965 0.000 -0.298) 1.988 10.187 ( -0.044 0.000 -3.714) 3.714 10.187 ( 0.044 0.000 -3.714) 3.714 10.379 ( -0.419 0.000 -0.661) 0.782 10.379 ( 0.419 0.000 -0.661) 0.782 10.501 ( -6.410 0.000 3.294) 7.207 10.501 ( 6.410 0.000 3.294) 7.207 10.794 ( -2.910 0.000 -6.886) 7.476 10.794 ( 2.910 0.000 -6.886) 7.476 11.393 ( -3.616 0.000 4.591) 5.844 11.393 ( 3.616 0.000 4.591) 5.844 11.511 ( -3.130 0.000 -1.467) 3.457 11.511 ( 3.130 0.000 -1.467) 3.457 11.624 ( -1.226 0.000 -0.800) 1.464 11.624 ( 1.226 0.000 -0.800) 1.464 12.107 ( -2.523 0.000 -2.365) 3.458 12.107 ( 2.523 0.000 -2.365) 3.458 12.339 ( -1.044 0.000 1.189) 1.582 12.339 ( 1.044 0.000 1.189) 1.582 12.504 ( -1.960 0.000 0.111) 1.963 12.504 ( 1.960 0.000 0.111) 1.963 12.967 ( -2.446 0.000 -1.326) 2.782 12.967 ( 2.446 0.000 -1.326) 2.782 13.301 ( -1.227 0.000 -0.095) 1.231 13.301 ( 1.227 0.000 -0.095) 1.231 13.357 ( -0.317 0.000 0.186) 0.368 13.357 ( 0.317 0.000 0.186) 0.368 13.396 ( -0.960 0.000 -2.464) 2.644 13.396 ( 0.960 0.000 -2.464) 2.644 13.653 ( -0.051 0.000 0.656) 0.658 13.653 ( 0.051 0.000 0.656) 0.658 14.100 ( -0.116 0.000 0.842) 0.850 14.100 ( 0.116 0.000 0.842) 0.850 14.822 ( -0.511 0.000 1.158) 1.266 14.822 ( 0.511 0.000 1.158) 1.266 15.005 ( -1.133 0.000 0.041) 1.134 15.005 ( 1.133 0.000 0.041) 1.134 15.709 ( -0.396 0.000 -1.481) 1.533 15.709 ( 0.396 0.000 -1.481) 1.533 15.801 ( -0.897 0.000 1.306) 1.585 15.801 ( 0.897 0.000 1.306) 1.585 16.031 ( -0.449 0.000 -0.347) 0.568 16.031 ( 0.449 0.000 -0.347) 0.568 16.190 ( -0.711 0.000 -1.132) 1.336 16.190 ( 0.711 0.000 -1.132) 1.336 18.396 ( -1.364 0.000 -0.594) 1.488 18.396 ( 1.364 0.000 -0.594) 1.488 18.960 ( -0.560 0.000 -4.473) 4.508 18.960 ( 0.560 0.000 -4.473) 4.508 19.831 ( -0.699 0.000 0.222) 0.733 19.831 ( 0.699 0.000 0.222) 0.733 20.142 ( -0.883 0.000 -0.413) 0.975 20.142 ( 0.883 0.000 -0.413) 0.975 21.159 ( -3.669 0.000 2.824) 4.630 21.159 ( 3.669 0.000 2.824) 4.630 21.773 ( -4.971 0.000 3.988) 6.373 21.773 ( 4.971 0.000 3.988) 6.373 23.504 ( -0.055 0.000 1.620) 1.621 23.504 ( 0.055 0.000 1.620) 1.621 23.768 ( -0.062 0.000 -0.924) 0.926 23.768 ( 0.062 0.000 -0.924) 0.926 ======================= Grid point 154 (53/64) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 3.262 17.504) 17.805 1.869 ( 0.000 2.081 6.813) 7.124 2.045 ( 0.000 0.811 -3.084) 3.189 2.128 ( 0.000 1.283 8.121) 8.222 2.252 ( 0.000 -0.978 -0.353) 1.040 2.518 ( 0.000 0.637 -8.817) 8.840 2.570 ( 0.000 -0.657 12.014) 12.032 2.597 ( 0.000 4.341 8.347) 9.408 2.693 ( 0.000 0.063 5.025) 5.025 2.833 ( 0.000 6.146 -9.258) 11.112 3.045 ( 0.000 9.943 -2.539) 10.262 3.084 ( 0.000 7.978 -3.104) 8.561 3.143 ( 0.000 -2.118 -1.116) 2.394 3.198 ( 0.000 -8.820 -3.953) 9.665 3.522 ( 0.000 -3.718 13.245) 13.757 3.642 ( 0.000 -4.621 2.462) 5.236 3.677 ( 0.000 8.037 5.499) 9.739 3.750 ( 0.000 10.454 -3.346) 10.976 3.927 ( 0.000 0.385 9.149) 9.158 4.032 ( 0.000 1.780 0.430) 1.832 4.071 ( 0.000 -3.336 8.758) 9.372 4.155 ( 0.000 -3.141 1.562) 3.508 4.300 ( 0.000 -3.004 3.670) 4.743 4.434 ( 0.000 -6.718 -8.945) 11.187 4.541 ( 0.000 6.570 7.678) 10.105 4.727 ( 0.000 2.110 -4.442) 4.917 4.833 ( 0.000 -2.221 7.958) 8.262 4.859 ( 0.000 0.646 3.900) 3.953 4.931 ( 0.000 -2.114 8.805) 9.056 5.016 ( 0.000 -4.052 0.296) 4.063 5.223 ( 0.000 -3.598 0.675) 3.660 5.231 ( 0.000 -0.954 3.420) 3.550 5.454 ( 0.000 2.779 -4.244) 5.073 5.533 ( 0.000 0.185 -4.664) 4.668 5.586 ( 0.000 4.749 0.167) 4.752 5.702 ( 0.000 2.371 -4.171) 4.797 6.057 ( 0.000 0.699 2.669) 2.759 6.163 ( 0.000 -2.626 -7.075) 7.547 6.751 ( 0.000 -4.990 10.743) 11.845 6.771 ( 0.000 -0.961 5.600) 5.682 7.089 ( 0.000 7.373 -5.245) 9.048 7.115 ( 0.000 -2.254 -5.501) 5.945 7.319 ( 0.000 -4.436 17.556) 18.107 7.512 ( 0.000 -6.553 -2.972) 7.195 7.647 ( 0.000 3.533 6.400) 7.310 7.776 ( 0.000 3.652 -3.630) 5.149 7.865 ( 0.000 2.971 -8.912) 9.394 7.868 ( 0.000 4.767 -8.333) 9.600 8.227 ( 0.000 -3.708 0.513) 3.743 8.237 ( 0.000 -2.330 -0.007) 2.330 8.707 ( 0.000 0.772 10.985) 11.012 8.723 ( 0.000 -4.264 3.966) 5.824 8.917 ( 0.000 1.809 -7.914) 8.118 9.023 ( 0.000 3.958 -9.847) 10.612 9.323 ( 0.000 -8.072 0.742) 8.106 9.388 ( 0.000 -7.033 -6.639) 9.671 9.517 ( 0.000 3.256 4.666) 5.689 9.535 ( 0.000 1.931 0.821) 2.098 9.843 ( 0.000 -3.355 -0.311) 3.369 9.963 ( 0.000 -3.561 -5.227) 6.325 10.024 ( 0.000 -0.967 -7.010) 7.076 10.059 ( 0.000 -2.583 -5.728) 6.284 10.207 ( 0.000 1.966 5.340) 5.691 10.254 ( 0.000 2.085 7.223) 7.518 10.349 ( 0.000 -0.905 -9.682) 9.724 10.459 ( 0.000 1.037 -11.037) 11.086 10.642 ( 0.000 8.490 5.455) 10.091 10.728 ( 0.000 6.478 -2.369) 6.898 11.080 ( 0.000 -2.236 0.663) 2.333 11.091 ( 0.000 -1.351 -0.742) 1.541 11.298 ( 0.000 -6.619 0.594) 6.645 11.304 ( 0.000 -8.277 -0.369) 8.285 11.964 ( 0.000 1.038 8.526) 8.589 12.052 ( 0.000 -1.141 5.264) 5.387 12.175 ( 0.000 1.325 -6.528) 6.661 12.197 ( 0.000 4.669 -0.379) 4.685 12.236 ( 0.000 10.051 -1.461) 10.157 12.259 ( 0.000 1.841 -6.706) 6.954 12.727 ( 0.000 -1.434 5.947) 6.117 12.816 ( 0.000 0.482 -2.357) 2.406 12.960 ( 0.000 -0.305 8.198) 8.203 13.144 ( 0.000 -3.309 -8.629) 9.241 13.216 ( 0.000 -4.329 4.387) 6.163 13.299 ( 0.000 -2.296 -1.529) 2.758 13.348 ( 0.000 -1.485 -2.446) 2.861 13.372 ( 0.000 0.754 -1.774) 1.927 13.449 ( 0.000 3.432 5.283) 6.299 13.550 ( 0.000 3.152 1.772) 3.617 13.581 ( 0.000 -1.343 -6.238) 6.381 13.601 ( 0.000 3.756 -3.915) 5.425 14.284 ( 0.000 -5.918 1.409) 6.083 14.295 ( 0.000 -5.234 0.513) 5.259 14.771 ( 0.000 -2.625 2.258) 3.462 14.809 ( 0.000 -2.908 -1.447) 3.248 15.140 ( 0.000 9.622 1.807) 9.790 15.185 ( 0.000 6.733 -2.580) 7.211 15.683 ( 0.000 0.398 2.051) 2.089 15.732 ( 0.000 -0.482 -2.704) 2.747 15.787 ( 0.000 1.367 3.545) 3.800 15.847 ( 0.000 0.416 -2.131) 2.171 16.005 ( 0.000 -0.985 1.324) 1.650 16.018 ( 0.000 -0.890 -1.346) 1.614 16.061 ( 0.000 1.430 0.230) 1.448 16.087 ( 0.000 1.108 -3.357) 3.535 18.343 ( 0.000 2.189 2.065) 3.009 18.386 ( 0.000 1.982 -0.794) 2.135 18.442 ( 0.000 1.233 6.874) 6.984 18.650 ( 0.000 -1.950 -12.047) 12.204 19.884 ( 0.000 -1.000 2.021) 2.255 19.934 ( 0.000 -2.044 -2.796) 3.464 20.240 ( 0.000 0.119 2.008) 2.012 20.294 ( 0.000 -0.455 -2.758) 2.796 20.680 ( 0.000 0.903 8.923) 8.969 20.772 ( 0.000 -0.615 0.593) 0.855 22.098 ( 0.000 0.919 10.975) 11.013 22.295 ( 0.000 -2.666 -8.075) 8.503 23.520 ( 0.000 -1.314 4.387) 4.580 23.606 ( 0.000 1.118 4.967) 5.091 23.606 ( 0.000 -2.884 -3.869) 4.826 23.700 ( 0.000 -0.008 -4.211) 4.211 ======================= Grid point 155 (54/64) ======================= q-point: ( 0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -1.993 1.048 14.277) 14.453 1.812 ( -6.619 -0.065 8.169) 10.515 1.948 ( -11.732 2.429 12.218) 17.111 2.108 ( -0.668 1.777 -0.883) 2.094 2.193 ( -2.971 -1.394 -6.656) 7.422 2.323 ( -6.573 4.728 -4.961) 9.496 2.549 ( -3.677 3.460 8.064) 9.514 2.647 ( 0.363 -0.735 4.901) 4.969 2.724 ( -2.217 2.123 -3.157) 4.403 2.872 ( -5.587 1.618 -4.634) 7.437 2.908 ( 2.455 -5.181 -1.351) 5.890 2.967 ( -5.536 9.065 -1.273) 10.698 3.162 ( -7.142 6.259 -0.962) 9.544 3.267 ( 2.760 9.854 -1.602) 10.358 3.548 ( 3.908 -5.990 5.236) 8.864 3.604 ( 3.326 -1.351 5.057) 6.202 3.648 ( -0.377 -3.191 2.669) 4.177 3.789 ( -5.367 -6.255 12.010) 14.566 4.008 ( 6.571 10.068 -0.532) 12.034 4.053 ( 3.698 1.793 5.321) 6.724 4.126 ( 7.330 -3.162 4.861) 9.347 4.210 ( 0.904 -1.299 0.452) 1.646 4.332 ( 1.359 -2.051 3.471) 4.255 4.409 ( -0.652 -5.050 -3.644) 6.261 4.536 ( -8.116 2.571 1.070) 8.581 4.575 ( -1.512 3.916 4.143) 5.898 4.677 ( -6.539 2.916 3.188) 7.837 4.792 ( -4.086 -1.131 -3.754) 5.663 5.063 ( 5.410 -2.415 5.785) 8.281 5.126 ( 3.740 -1.589 3.615) 5.439 5.234 ( 4.194 -0.048 10.447) 11.257 5.369 ( 10.145 -3.857 3.169) 11.307 5.474 ( 2.437 0.436 4.243) 4.912 5.518 ( -1.928 1.087 -9.276) 9.536 5.707 ( 10.508 3.009 -4.438) 11.797 5.735 ( 3.716 1.714 -2.546) 4.820 6.054 ( 0.413 0.976 3.984) 4.123 6.163 ( -0.034 -1.831 -5.703) 5.990 6.728 ( -1.481 -2.941 4.917) 5.918 6.797 ( 1.778 -3.974 7.985) 9.095 7.022 ( -4.810 3.104 -6.163) 8.412 7.153 ( 2.075 2.463 -1.214) 3.442 7.299 ( -1.852 -2.436 13.294) 13.642 7.468 ( -5.735 -3.311 -0.532) 6.643 7.584 ( -6.262 -0.182 3.781) 7.317 7.759 ( -3.324 2.206 -5.926) 7.144 7.796 ( -0.472 2.286 -7.489) 7.844 7.860 ( -4.079 3.522 -4.843) 7.246 8.224 ( 2.722 -1.984 0.417) 3.394 8.296 ( 2.814 0.197 -0.827) 2.940 8.664 ( -2.919 -0.054 5.050) 5.833 8.750 ( 1.517 -3.234 8.066) 8.821 8.833 ( -6.520 2.049 -9.109) 11.388 9.047 ( 1.531 2.895 -8.097) 8.734 9.225 ( -7.323 -6.835 -0.582) 10.034 9.433 ( 0.769 -4.007 -5.185) 6.598 9.495 ( -0.326 2.665 2.530) 3.689 9.555 ( 1.830 -0.546 1.298) 2.309 9.814 ( -3.511 -6.518 -1.579) 7.570 9.958 ( 2.075 -2.696 -2.575) 4.267 10.047 ( 1.527 -1.789 -8.409) 8.731 10.100 ( 2.390 -0.407 -3.400) 4.176 10.175 ( -1.159 -6.195 -3.130) 7.037 10.245 ( 1.189 0.538 7.108) 7.227 10.473 ( 4.638 3.834 -4.771) 7.680 10.543 ( 10.562 2.886 -5.938) 12.456 10.678 ( 2.629 7.266 4.388) 8.886 10.788 ( 4.732 5.016 -2.096) 7.208 11.087 ( 1.199 -1.261 -2.240) 2.837 11.142 ( 6.393 0.421 0.510) 6.427 11.296 ( 0.729 -7.531 0.806) 7.609 11.366 ( 4.989 -5.738 -0.622) 7.629 11.951 ( -2.824 1.288 8.557) 9.103 12.026 ( -1.165 0.784 3.441) 3.716 12.096 ( -7.373 6.608 -1.330) 9.990 12.162 ( -0.464 2.437 -7.371) 7.777 12.260 ( 3.050 2.052 -1.955) 4.164 12.345 ( 3.835 5.839 -1.453) 7.136 12.668 ( -5.798 -1.520 5.628) 8.222 12.765 ( -5.573 1.140 -2.575) 6.244 12.928 ( -2.228 -1.320 6.497) 6.994 13.072 ( -4.915 -3.230 -6.028) 8.421 13.257 ( 1.821 -2.461 0.947) 3.204 13.323 ( 2.516 -3.426 -0.125) 4.252 13.346 ( -0.210 -1.321 -1.817) 2.256 13.378 ( 0.536 0.430 -1.630) 1.768 13.425 ( -2.304 2.662 3.728) 5.127 13.506 ( -3.615 1.584 -1.655) 4.279 13.546 ( -2.572 -1.352 -4.163) 5.077 13.631 ( 1.267 1.394 -1.229) 2.249 14.233 ( -4.097 -2.034 1.231) 4.737 14.268 ( -2.352 -1.430 1.012) 2.933 14.771 ( 0.082 -2.836 2.024) 3.485 14.806 ( -0.290 -2.824 -0.978) 3.003 15.105 ( -2.958 7.876 2.178) 8.690 15.151 ( -3.156 5.722 -2.338) 6.940 15.684 ( 0.251 -0.447 1.089) 1.204 15.722 ( -0.793 -0.846 -2.231) 2.514 15.778 ( -0.605 0.674 2.529) 2.686 15.838 ( -0.857 0.530 -1.159) 1.536 15.994 ( 0.671 -0.111 -0.376) 0.777 16.039 ( 0.731 0.637 0.450) 1.069 16.095 ( 3.605 0.689 -0.565) 3.713 16.144 ( 3.575 0.693 -2.667) 4.514 18.325 ( 1.491 -0.096 1.192) 1.911 18.439 ( 0.559 3.268 0.138) 3.318 18.569 ( 11.706 -0.258 2.560) 11.985 18.705 ( 6.181 -2.096 -9.946) 11.896 19.866 ( -1.603 -1.063 1.204) 2.270 19.924 ( -1.179 -1.155 -1.972) 2.572 20.203 ( -2.867 0.430 1.968) 3.504 20.256 ( -3.335 0.244 -2.109) 3.953 20.775 ( 9.007 0.656 8.390) 12.327 20.868 ( 8.991 -0.699 -0.091) 9.018 22.023 ( -7.460 0.895 10.709) 13.082 22.200 ( -9.409 -2.203 -6.288) 11.529 23.508 ( -0.807 -1.068 2.728) 3.039 23.565 ( -2.184 0.799 2.365) 3.317 23.649 ( 2.691 -2.950 -1.677) 4.331 23.726 ( 1.853 -0.328 -2.313) 2.982 ======================= Grid point 156 (55/64) ======================= q-point: ( 0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -11.661 -1.850 11.418) 16.425 1.722 ( -13.740 -4.679 2.881) 14.798 1.816 ( -0.652 0.370 3.184) 3.271 1.922 ( -9.021 0.346 -6.869) 11.344 2.238 ( 4.933 5.657 2.406) 7.882 2.363 ( 4.189 8.793 2.889) 10.159 2.498 ( -1.911 -0.312 3.265) 3.796 2.559 ( -3.626 -1.385 -1.340) 4.106 2.711 ( -0.134 3.936 3.133) 5.032 2.756 ( -3.386 6.229 1.116) 7.177 2.875 ( -4.020 6.846 -3.278) 8.589 2.924 ( -10.965 9.742 -0.781) 14.689 3.052 ( 7.280 -6.289 -4.412) 10.583 3.324 ( -0.491 1.817 2.140) 2.850 3.485 ( -5.576 -6.655 -1.224) 8.768 3.608 ( -4.544 -2.694 2.569) 5.874 3.714 ( 6.006 -6.870 2.648) 9.502 3.858 ( 9.226 1.770 14.564) 17.331 3.963 ( -5.689 -0.657 3.007) 6.468 4.122 ( -1.863 4.941 9.436) 10.813 4.193 ( 0.524 -3.514 -3.157) 4.753 4.246 ( -4.906 -0.303 7.742) 9.170 4.305 ( 4.892 3.617 -5.591) 8.263 4.425 ( 7.086 -0.218 5.930) 9.243 4.547 ( -3.471 2.314 -9.099) 10.010 4.565 ( 4.913 1.686 0.308) 5.204 4.625 ( 0.607 2.068 3.576) 4.176 4.706 ( -4.195 0.482 -0.935) 4.325 5.154 ( 4.063 -1.323 5.542) 6.998 5.191 ( 5.215 0.086 4.836) 7.113 5.325 ( 2.128 -1.419 5.791) 6.331 5.435 ( -0.369 -4.555 7.146) 8.482 5.494 ( -0.466 3.241 -0.825) 3.377 5.549 ( 1.636 0.821 7.823) 8.034 5.821 ( 4.937 -0.571 -1.059) 5.081 5.897 ( 6.254 1.529 -3.582) 7.368 6.115 ( 5.903 0.251 2.232) 6.316 6.173 ( 1.894 -1.243 -1.040) 2.493 6.713 ( 0.433 -2.914 0.697) 3.028 6.819 ( -0.767 -6.567 4.487) 7.991 6.940 ( -1.533 4.013 -1.163) 4.450 7.183 ( -0.169 2.061 -1.262) 2.423 7.260 ( -2.830 -1.166 5.471) 6.269 7.284 ( -9.489 5.471 6.659) 12.819 7.474 ( -4.250 -5.389 -2.808) 7.416 7.604 ( -10.255 1.157 -2.896) 10.719 7.815 ( 1.786 1.893 -5.170) 5.788 7.840 ( 0.912 1.759 -5.356) 5.711 8.291 ( 3.205 0.723 0.867) 3.398 8.333 ( 1.009 1.831 -1.036) 2.333 8.619 ( -1.286 0.472 0.701) 1.539 8.697 ( -5.281 1.545 -5.463) 7.754 8.811 ( 3.474 -3.723 4.181) 6.588 9.036 ( -5.737 -2.253 -2.219) 6.551 9.129 ( 1.261 -1.566 -4.383) 4.822 9.349 ( -6.932 1.535 -8.173) 10.826 9.551 ( 3.682 -0.922 3.673) 5.282 9.599 ( 2.014 -1.516 -0.725) 2.623 9.776 ( 0.883 -9.462 0.363) 9.510 9.953 ( -3.686 -2.009 -2.190) 4.735 10.084 ( 2.237 -4.772 -4.951) 7.231 10.119 ( -0.492 -5.895 -5.135) 7.834 10.222 ( 5.385 -5.255 -3.225) 8.186 10.284 ( 2.351 -3.267 1.343) 4.243 10.551 ( 3.668 7.943 2.336) 9.055 10.673 ( 0.130 9.442 0.880) 9.484 10.755 ( 5.357 1.604 -0.684) 5.634 10.842 ( 0.904 2.237 -3.910) 4.595 11.151 ( 5.793 -2.328 -4.059) 7.447 11.298 ( 1.028 -7.376 1.645) 7.627 11.368 ( 13.438 3.976 0.470) 14.022 11.482 ( 6.947 -1.912 -0.999) 7.274 11.832 ( -8.627 4.693 5.018) 11.029 11.921 ( -9.647 8.693 0.745) 13.007 12.061 ( 2.707 0.946 1.753) 3.361 12.154 ( -0.726 1.913 -5.925) 6.269 12.319 ( 3.029 1.455 -0.017) 3.360 12.388 ( 0.842 5.379 0.729) 5.493 12.538 ( -6.365 -1.711 3.974) 7.697 12.617 ( -8.518 0.693 -2.541) 8.916 12.909 ( 0.431 -2.249 2.107) 3.112 12.989 ( -3.490 -3.089 -4.822) 6.707 13.280 ( 1.025 -1.195 -0.330) 1.609 13.339 ( -0.550 -2.361 -0.888) 2.582 13.366 ( -1.798 0.928 1.963) 2.819 13.375 ( 1.201 -0.329 -0.418) 1.313 13.387 ( -0.717 1.459 -1.022) 1.920 13.427 ( -3.153 -0.017 -2.634) 4.109 13.524 ( 0.653 -4.437 -1.602) 4.763 13.623 ( -2.119 -3.806 -0.105) 4.357 14.176 ( -1.088 4.483 1.380) 4.815 14.223 ( -2.148 4.562 1.489) 5.258 14.776 ( 0.454 -2.978 1.476) 3.355 14.799 ( -0.457 -2.702 -0.103) 2.742 15.053 ( -1.927 4.685 1.503) 5.285 15.085 ( -3.199 3.935 -1.262) 5.226 15.693 ( 0.558 -0.737 -0.384) 1.001 15.710 ( -0.490 -0.837 -1.838) 2.078 15.775 ( 0.419 -0.500 1.738) 1.857 15.817 ( -1.241 -0.167 0.245) 1.276 16.021 ( 1.726 0.918 -0.309) 1.979 16.053 ( 0.405 1.721 -0.019) 1.768 16.158 ( 2.630 0.176 -0.725) 2.733 16.192 ( 1.228 0.633 -2.006) 2.436 18.372 ( 2.605 0.971 0.640) 2.853 18.439 ( -0.634 2.294 -1.678) 2.912 18.774 ( 9.256 -4.551 -2.659) 10.651 18.858 ( 7.018 -3.084 -5.163) 9.242 19.837 ( -0.895 -0.093 0.257) 0.936 19.889 ( -2.314 0.429 -0.868) 2.508 20.158 ( -1.454 0.936 1.214) 2.113 20.191 ( -2.924 0.983 -1.114) 3.280 20.988 ( 12.037 0.698 6.872) 13.878 21.071 ( 10.511 -0.307 -0.750) 10.542 21.844 ( -9.556 0.478 9.778) 13.680 21.968 ( -13.379 -1.467 -2.083) 13.620 23.499 ( -0.071 -0.438 1.435) 1.502 23.529 ( -1.549 0.756 1.584) 2.341 23.703 ( 2.622 -3.215 -1.086) 4.288 23.751 ( 0.507 -1.407 -1.126) 1.873 ======================= Grid point 157 (56/64) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -6.216 -5.996 2.254) 8.926 1.489 ( 6.216 -5.996 2.254) 8.926 1.825 ( -2.107 2.678 -1.061) 3.569 1.825 ( 2.107 2.678 -1.061) 3.569 2.334 ( -4.947 2.998 3.190) 6.606 2.334 ( 4.947 2.998 3.190) 6.606 2.534 ( -2.957 2.951 0.719) 4.239 2.534 ( 2.957 2.951 0.719) 4.239 2.703 ( -1.927 8.934 4.042) 9.993 2.703 ( 1.927 8.934 4.042) 9.993 2.823 ( -0.869 5.048 -2.265) 5.600 2.823 ( 0.869 5.048 -2.265) 5.600 3.210 ( -8.738 -6.871 -3.210) 11.570 3.210 ( 8.738 -6.871 -3.210) 11.570 3.496 ( -5.314 -1.156 1.806) 5.730 3.496 ( 5.314 -1.156 1.806) 5.730 3.833 ( -6.557 -5.944 2.712) 9.256 3.833 ( 6.557 -5.944 2.712) 9.256 4.031 ( -7.133 4.242 11.675) 14.324 4.031 ( 7.133 4.242 11.675) 14.324 4.199 ( -0.558 0.568 4.031) 4.109 4.199 ( 0.558 0.568 4.031) 4.109 4.412 ( -6.510 2.167 -7.770) 10.365 4.412 ( 6.510 2.167 -7.770) 10.365 4.592 ( -5.171 1.162 -0.381) 5.314 4.592 ( 5.171 1.162 -0.381) 5.314 4.643 ( -2.759 0.864 2.211) 3.640 4.643 ( 2.759 0.864 2.211) 3.640 5.232 ( -2.868 0.657 4.688) 5.535 5.232 ( 2.868 0.657 4.688) 5.535 5.375 ( -5.286 -4.346 4.163) 8.010 5.375 ( 5.286 -4.346 4.163) 8.010 5.524 ( -2.851 2.515 8.384) 9.205 5.524 ( 2.851 2.515 8.384) 9.205 5.908 ( -3.519 1.021 -0.663) 3.724 5.908 ( 3.519 1.021 -0.663) 3.724 6.205 ( -1.205 -1.607 1.205) 2.343 6.205 ( 1.205 -1.607 1.205) 2.343 6.755 ( -3.811 -3.757 -0.045) 5.352 6.755 ( 3.811 -3.757 -0.045) 5.352 7.025 ( -9.350 0.411 2.254) 9.626 7.025 ( 9.350 0.411 2.254) 9.626 7.240 ( -1.286 4.208 3.569) 5.666 7.240 ( 1.286 4.208 3.569) 5.666 7.458 ( -3.593 -1.381 -2.760) 4.736 7.458 ( 3.593 -1.381 -2.760) 4.736 7.845 ( -0.791 1.219 -5.158) 5.359 7.845 ( 0.791 1.219 -5.158) 5.359 8.333 ( -1.092 1.748 0.273) 2.079 8.333 ( 1.092 1.748 0.273) 2.079 8.625 ( -2.063 1.053 -3.429) 4.138 8.625 ( 2.063 1.053 -3.429) 4.138 8.905 ( -6.253 -4.102 2.399) 7.854 8.905 ( 6.253 -4.102 2.399) 7.854 9.215 ( -6.346 0.736 -7.838) 10.112 9.215 ( 6.346 0.736 -7.838) 10.112 9.603 ( -1.515 -1.477 1.286) 2.476 9.603 ( 1.515 -1.477 1.286) 2.476 9.851 ( -5.761 -6.104 -0.152) 8.395 9.851 ( 5.761 -6.104 -0.152) 8.395 10.110 ( -0.623 -6.364 -4.767) 7.976 10.110 ( 0.623 -6.364 -4.767) 7.976 10.301 ( -1.625 -5.393 -3.198) 6.477 10.301 ( 1.625 -5.393 -3.198) 6.477 10.622 ( -3.892 9.221 6.960) 12.191 10.622 ( 3.892 9.221 6.960) 12.191 10.827 ( -2.412 2.967 -6.215) 7.297 10.827 ( 2.412 2.967 -6.215) 7.297 11.265 ( -4.302 -6.446 -1.006) 7.815 11.265 ( 4.302 -6.446 -1.006) 7.815 11.594 ( -4.810 -2.192 -0.090) 5.287 11.594 ( 4.810 -2.192 -0.090) 5.287 11.721 ( -7.075 13.695 2.982) 15.700 11.721 ( 7.075 13.695 2.982) 15.700 12.120 ( -2.799 1.254 -2.014) 3.669 12.120 ( 2.799 1.254 -2.014) 3.669 12.376 ( -2.500 3.271 1.560) 4.403 12.376 ( 2.500 3.271 1.560) 4.403 12.492 ( -3.017 -1.067 -0.531) 3.244 12.492 ( 3.017 -1.067 -0.531) 3.244 12.936 ( -2.120 -2.739 -2.114) 4.057 12.936 ( 2.120 -2.739 -2.114) 4.057 13.307 ( -1.971 -1.354 -0.926) 2.564 13.307 ( 1.971 -1.354 -0.926) 2.564 13.356 ( -1.177 1.206 0.721) 1.832 13.356 ( 1.177 1.206 0.721) 1.832 13.401 ( -0.959 0.561 -2.101) 2.377 13.401 ( 0.959 0.561 -2.101) 2.377 13.566 ( -3.156 -6.759 -0.068) 7.460 13.566 ( 3.156 -6.759 -0.068) 7.460 14.186 ( -1.594 6.975 1.629) 7.338 14.186 ( 1.594 6.975 1.629) 7.338 14.788 ( -0.650 -2.803 0.749) 2.974 14.788 ( 0.650 -2.803 0.749) 2.974 15.043 ( -0.973 3.208 0.121) 3.354 15.043 ( 0.973 3.208 0.121) 3.354 15.702 ( -0.386 -0.656 -1.407) 1.599 15.702 ( 0.386 -0.656 -1.407) 1.599 15.792 ( -1.242 -0.811 1.252) 1.941 15.792 ( 1.242 -0.811 1.252) 1.941 16.048 ( -0.910 1.643 -0.220) 1.891 16.048 ( 0.910 1.643 -0.220) 1.891 16.193 ( -0.944 0.307 -1.281) 1.621 16.193 ( 0.944 0.307 -1.281) 1.621 18.415 ( -1.791 2.014 -0.944) 2.856 18.415 ( 1.791 2.014 -0.944) 2.856 18.902 ( -2.860 -5.634 -3.904) 7.428 18.902 ( 2.860 -5.634 -3.904) 7.428 19.846 ( -1.721 1.134 -0.242) 2.075 19.846 ( 1.721 1.134 -0.242) 2.075 20.153 ( -0.923 1.167 -0.008) 1.488 20.153 ( 0.923 1.167 -0.008) 1.488 21.167 ( -3.395 0.734 2.548) 4.308 21.167 ( 3.395 0.734 2.548) 4.308 21.765 ( -4.437 -0.794 4.642) 6.470 21.765 ( 4.437 -0.794 4.642) 6.470 23.506 ( -0.796 0.252 1.145) 1.417 23.506 ( 0.796 0.252 1.145) 1.417 23.742 ( -1.347 -2.562 -0.807) 3.005 23.742 ( 1.347 -2.562 -0.807) 3.005 ======================= Grid point 161 (57/64) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.000 3.290 7.080) 7.807 1.918 ( 0.000 2.378 3.046) 3.865 2.063 ( 0.000 0.770 -0.983) 1.249 2.097 ( 0.000 -3.722 -3.856) 5.359 2.274 ( 0.000 3.974 14.394) 14.932 2.484 ( 0.000 -5.025 4.131) 6.506 2.637 ( 0.000 2.385 -2.159) 3.217 2.642 ( 0.000 5.662 8.019) 9.817 2.797 ( 0.000 8.189 0.172) 8.190 2.903 ( 0.000 0.801 -12.110) 12.136 3.059 ( 0.000 -2.751 0.922) 2.901 3.064 ( 0.000 -2.929 1.185) 3.160 3.249 ( 0.000 7.632 0.426) 7.643 3.293 ( 0.000 7.984 -2.183) 8.277 3.471 ( 0.000 -0.955 12.726) 12.761 3.540 ( 0.000 -5.192 6.188) 8.078 3.737 ( 0.000 1.719 7.490) 7.684 3.848 ( 0.000 1.048 -3.391) 3.549 4.009 ( 0.000 -2.485 4.393) 5.047 4.056 ( 0.000 10.209 7.545) 12.694 4.081 ( 0.000 -3.935 -1.600) 4.248 4.147 ( 0.000 7.604 1.881) 7.833 4.260 ( 0.000 -1.196 0.981) 1.547 4.303 ( 0.000 -6.368 -6.179) 8.873 4.650 ( 0.000 4.840 7.501) 8.927 4.737 ( 0.000 -0.773 3.587) 3.669 4.786 ( 0.000 -2.358 8.586) 8.904 4.848 ( 0.000 -3.273 3.535) 4.818 4.883 ( 0.000 -2.338 4.949) 5.473 4.924 ( 0.000 -4.057 0.871) 4.150 5.165 ( 0.000 -1.892 0.038) 1.893 5.202 ( 0.000 -2.080 1.469) 2.546 5.494 ( 0.000 1.342 -3.735) 3.969 5.530 ( 0.000 -0.605 -6.080) 6.110 5.705 ( 0.000 7.355 0.289) 7.361 5.774 ( 0.000 4.769 -4.382) 6.477 6.051 ( 0.000 -1.599 0.357) 1.639 6.088 ( 0.000 -4.966 -3.662) 6.170 6.694 ( 0.000 -1.073 7.687) 7.761 6.741 ( 0.000 -2.134 2.726) 3.462 7.083 ( 0.000 -0.534 6.112) 6.135 7.170 ( 0.000 -1.429 7.981) 8.108 7.262 ( 0.000 1.451 -3.303) 3.607 7.405 ( 0.000 -4.789 -8.586) 9.831 7.731 ( 0.000 4.996 5.173) 7.192 7.821 ( 0.000 1.318 -2.073) 2.457 7.924 ( 0.000 2.918 -3.640) 4.665 7.953 ( 0.000 3.010 -5.236) 6.039 8.155 ( 0.000 -2.971 2.626) 3.966 8.187 ( 0.000 -2.740 0.258) 2.752 8.675 ( 0.000 -0.649 4.755) 4.799 8.708 ( 0.000 -0.619 5.420) 5.455 8.979 ( 0.000 4.642 -5.869) 7.483 9.061 ( 0.000 0.324 -7.429) 7.436 9.164 ( 0.000 -7.636 -0.875) 7.686 9.235 ( 0.000 -8.652 -9.011) 12.492 9.579 ( 0.000 2.823 2.089) 3.512 9.596 ( 0.000 4.818 3.306) 5.844 9.762 ( 0.000 -4.363 -1.407) 4.584 9.868 ( 0.000 -5.996 -6.566) 8.892 10.008 ( 0.000 -0.659 -7.827) 7.854 10.019 ( 0.000 -1.484 -6.563) 6.728 10.258 ( 0.000 3.134 2.550) 4.040 10.333 ( 0.000 -0.984 -4.991) 5.087 10.342 ( 0.000 6.694 6.924) 9.631 10.490 ( 0.000 1.472 -7.042) 7.194 10.798 ( 0.000 7.212 2.306) 7.571 10.836 ( 0.000 4.084 -0.707) 4.145 11.018 ( 0.000 -3.526 3.777) 5.167 11.060 ( 0.000 -2.264 2.579) 3.431 11.133 ( 0.000 -8.055 -3.287) 8.700 11.171 ( 0.000 -6.096 -4.140) 7.369 11.987 ( 0.000 1.280 6.620) 6.742 12.032 ( 0.000 -1.084 5.248) 5.359 12.204 ( 0.000 1.820 -3.323) 3.789 12.250 ( 0.000 0.423 -3.049) 3.078 12.349 ( 0.000 7.727 3.752) 8.590 12.443 ( 0.000 10.813 -3.319) 11.311 12.665 ( 0.000 -5.552 7.886) 9.644 12.775 ( 0.000 -5.242 -1.911) 5.580 12.987 ( 0.000 3.079 2.586) 4.021 13.080 ( 0.000 -2.781 -4.980) 5.704 13.171 ( 0.000 -0.323 1.190) 1.233 13.244 ( 0.000 -2.731 -5.814) 6.424 13.361 ( 0.000 1.911 0.318) 1.937 13.390 ( 0.000 1.214 -1.822) 2.190 13.477 ( 0.000 -0.487 1.745) 1.811 13.524 ( 0.000 -3.906 -2.571) 4.677 13.618 ( 0.000 3.529 1.183) 3.722 13.661 ( 0.000 1.840 -3.108) 3.612 14.202 ( 0.000 -2.522 1.729) 3.058 14.208 ( 0.000 -3.244 1.088) 3.422 14.727 ( 0.000 -1.807 1.031) 2.080 14.752 ( 0.000 -2.833 -1.447) 3.181 15.287 ( 0.000 5.296 -0.480) 5.318 15.296 ( 0.000 4.273 -1.246) 4.451 15.701 ( 0.000 1.330 1.803) 2.241 15.727 ( 0.000 -0.102 -0.763) 0.770 15.817 ( 0.000 1.757 2.401) 2.975 15.854 ( 0.000 0.166 -0.990) 1.004 15.990 ( 0.000 -0.444 -0.446) 0.629 16.000 ( 0.000 -0.832 -2.101) 2.260 16.090 ( 0.000 1.392 -0.146) 1.399 16.105 ( 0.000 0.662 -1.992) 2.099 18.384 ( 0.000 1.671 2.860) 3.313 18.398 ( 0.000 -0.072 4.047) 4.048 18.501 ( 0.000 3.910 -1.457) 4.173 18.606 ( 0.000 -2.420 -9.214) 9.526 19.868 ( 0.000 -0.481 0.290) 0.562 19.895 ( 0.000 -1.899 -2.266) 2.957 20.243 ( 0.000 0.328 1.757) 1.787 20.278 ( 0.000 -1.194 -1.174) 1.674 20.703 ( 0.000 1.410 7.427) 7.560 20.755 ( 0.000 -1.157 2.859) 3.084 22.124 ( 0.000 1.923 7.106) 7.362 22.233 ( 0.000 -3.601 -3.402) 4.954 23.511 ( 0.000 0.359 2.367) 2.394 23.557 ( 0.000 -2.183 -2.057) 2.999 23.621 ( 0.000 0.761 2.748) 2.852 23.682 ( 0.000 -1.793 -3.089) 3.571 ======================= Grid point 162 (58/64) ======================= q-point: ( 0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -2.575 0.959 3.647) 4.566 1.826 ( -8.628 1.494 5.674) 10.434 1.982 ( -14.952 0.817 6.308) 16.249 2.053 ( -9.825 -4.636 -4.040) 11.591 2.255 ( 6.224 5.433 6.670) 10.618 2.393 ( 0.142 0.944 -0.799) 1.245 2.603 ( -3.805 2.882 0.506) 4.800 2.699 ( 1.080 6.037 7.935) 10.029 2.787 ( -8.379 -2.289 -5.819) 10.455 2.831 ( 1.617 5.374 1.707) 5.866 2.953 ( -0.328 3.112 -3.751) 4.884 3.111 ( -2.605 0.392 2.372) 3.545 3.190 ( -3.315 2.708 -4.535) 6.236 3.407 ( -1.394 3.763 6.575) 7.702 3.445 ( 0.047 -5.750 2.214) 6.162 3.556 ( 0.786 -4.760 6.133) 7.803 3.691 ( -2.040 9.397 4.014) 10.420 3.784 ( -4.804 6.332 3.981) 8.890 4.020 ( 2.418 -5.324 -1.633) 6.071 4.054 ( 0.865 -3.233 1.521) 3.676 4.135 ( 6.166 1.621 2.510) 6.852 4.194 ( 1.420 0.882 1.366) 2.159 4.292 ( -1.009 -5.447 -0.760) 5.592 4.334 ( 6.175 -0.461 1.998) 6.506 4.594 ( -6.169 3.930 4.368) 8.520 4.660 ( 0.365 4.810 5.823) 7.562 4.714 ( -4.700 -0.217 2.879) 5.515 4.765 ( -3.135 -0.591 0.025) 3.190 5.015 ( 6.626 -2.082 3.543) 7.797 5.080 ( 7.328 -3.358 4.739) 9.350 5.229 ( 4.714 -0.258 9.239) 10.376 5.288 ( 8.401 -4.014 5.590) 10.860 5.493 ( 2.140 1.575 0.271) 2.671 5.541 ( -0.246 0.645 -7.680) 7.711 5.763 ( 4.618 2.961 -1.863) 5.793 5.792 ( 2.769 4.058 -4.923) 6.955 6.055 ( 1.291 -1.003 1.209) 2.033 6.108 ( 1.498 -3.741 -3.743) 5.500 6.689 ( -0.515 -0.680 5.543) 5.609 6.738 ( -0.273 -2.528 2.337) 3.454 7.056 ( -2.392 1.485 5.196) 5.910 7.180 ( 0.852 -2.665 9.133) 9.552 7.257 ( -0.841 0.860 -4.529) 4.686 7.379 ( -2.670 -4.564 -7.717) 9.355 7.650 ( -9.562 5.505 5.663) 12.401 7.796 ( -5.501 0.742 -1.439) 5.734 7.839 ( -0.648 2.185 -5.957) 6.378 7.886 ( -5.425 -0.688 -2.726) 6.110 8.214 ( 5.943 0.923 1.958) 6.324 8.280 ( 5.136 -1.716 0.747) 5.466 8.667 ( -0.944 0.699 3.472) 3.666 8.708 ( 0.282 -1.163 5.550) 5.678 8.890 ( -6.999 3.802 -8.495) 11.645 9.075 ( -5.251 -5.930 -4.672) 9.196 9.103 ( 1.299 0.913 -5.829) 6.041 9.304 ( 5.044 -8.253 -4.396) 10.624 9.550 ( -1.884 0.765 2.601) 3.301 9.592 ( -1.192 6.281 0.581) 6.420 9.686 ( -6.589 -6.169 -2.223) 9.296 9.868 ( 0.846 -6.794 -1.814) 7.083 10.017 ( 0.834 -0.909 -9.079) 9.162 10.056 ( 2.021 -1.918 -6.079) 6.687 10.152 ( -5.800 1.155 -1.666) 6.144 10.238 ( -3.441 -1.530 1.239) 3.964 10.549 ( 9.970 4.252 0.433) 10.847 10.590 ( 9.892 2.581 -2.387) 10.498 10.831 ( 1.539 6.913 3.516) 7.907 10.869 ( 2.003 3.042 0.016) 3.642 11.059 ( 3.757 -1.570 1.343) 4.287 11.127 ( 5.171 -1.338 -2.923) 6.089 11.171 ( 6.288 -5.220 0.623) 8.196 11.244 ( 7.532 -6.044 -4.076) 10.483 11.979 ( -1.165 1.624 7.054) 7.332 12.028 ( 0.228 -0.564 4.330) 4.372 12.184 ( -2.008 3.332 -3.862) 5.482 12.272 ( 1.237 1.078 1.840) 2.465 12.287 ( -3.530 7.726 -0.965) 8.549 12.495 ( 2.622 8.925 -0.905) 9.346 12.606 ( -5.411 -5.527 7.343) 10.665 12.753 ( -3.126 -3.338 -1.693) 4.876 12.925 ( -5.100 1.567 1.162) 5.460 13.017 ( -4.882 -2.521 -6.497) 8.509 13.203 ( 2.294 -2.094 0.381) 3.129 13.248 ( 0.243 -2.912 -3.838) 4.824 13.360 ( -0.052 1.536 0.779) 1.723 13.392 ( 0.152 0.976 -1.545) 1.834 13.452 ( -2.262 -0.198 1.267) 2.600 13.500 ( -2.327 -2.989 -2.803) 4.713 13.564 ( -4.376 3.140 -0.322) 5.396 13.629 ( -3.428 -0.896 -1.555) 3.869 14.219 ( 1.940 0.353 1.726) 2.621 14.243 ( 2.721 -0.961 1.699) 3.349 14.724 ( -0.150 -1.844 0.747) 1.995 14.752 ( -0.069 -2.739 -0.961) 2.904 15.235 ( -4.830 5.191 0.190) 7.093 15.250 ( -4.403 4.028 -1.013) 6.053 15.682 ( -0.884 0.389 0.923) 1.336 15.707 ( -1.339 -0.719 -0.886) 1.759 15.795 ( -1.605 1.215 1.367) 2.433 15.840 ( -1.520 -0.465 -0.044) 1.590 16.001 ( 1.865 0.800 -1.178) 2.347 16.036 ( 2.454 -0.746 0.019) 2.565 16.122 ( 2.772 1.802 -1.123) 3.491 16.155 ( 3.467 0.300 -1.865) 3.949 18.351 ( 1.426 2.788 0.485) 3.168 18.470 ( 1.041 -0.667 1.891) 2.259 18.577 ( 7.562 1.373 -0.381) 7.695 18.654 ( 5.028 -2.918 -7.460) 9.457 19.856 ( -0.897 0.056 -0.330) 0.957 19.894 ( -0.236 -1.720 -1.694) 2.426 20.215 ( -2.144 0.907 1.619) 2.836 20.254 ( -2.200 -0.524 -0.520) 2.320 20.793 ( 8.804 1.244 7.041) 11.342 20.848 ( 8.940 -1.352 2.123) 9.287 22.048 ( -7.612 1.850 7.355) 10.745 22.148 ( -8.564 -3.119 -2.168) 9.369 23.502 ( -0.495 0.467 1.114) 1.306 23.558 ( -0.473 -1.718 -0.397) 1.826 23.620 ( 0.671 0.319 0.661) 0.994 23.698 ( 0.986 -2.405 -1.635) 3.071 ======================= Grid point 163 (59/64) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -15.704 1.430 5.521) 16.707 1.649 ( -18.316 -3.151 2.118) 18.705 1.806 ( 0.290 -1.200 2.193) 2.517 1.876 ( -4.766 -4.328 -3.935) 7.545 2.369 ( 3.835 7.435 5.156) 9.828 2.507 ( -4.910 2.387 3.327) 6.394 2.511 ( 6.125 2.701 -0.639) 6.724 2.597 ( -1.680 6.324 -0.785) 6.591 2.812 ( 4.386 0.864 5.158) 6.825 2.849 ( 0.327 6.599 3.443) 7.450 2.970 ( 0.051 1.232 0.566) 1.357 3.027 ( -3.361 5.990 -5.006) 8.499 3.094 ( -6.468 4.936 -6.214) 10.238 3.267 ( -9.434 -5.452 -0.559) 10.911 3.416 ( -1.156 0.617 5.064) 5.231 3.540 ( -4.114 -3.741 2.787) 6.220 3.622 ( 1.669 -2.132 2.142) 3.452 3.869 ( -9.647 -7.983 1.975) 12.676 3.943 ( 9.767 5.051 5.122) 12.130 4.109 ( 3.977 -4.460 -4.842) 7.691 4.176 ( -2.091 1.275 6.882) 7.304 4.233 ( -2.072 -1.560 7.097) 7.556 4.390 ( 3.214 3.916 -4.582) 6.831 4.423 ( 12.201 0.699 2.165) 12.411 4.597 ( -5.079 2.886 -3.316) 6.717 4.620 ( 3.185 3.335 4.395) 6.370 4.664 ( -1.147 1.428 0.674) 1.951 4.704 ( -2.293 -0.910 3.577) 4.346 5.141 ( 6.090 0.224 6.642) 9.014 5.188 ( 5.822 -0.750 3.460) 6.814 5.304 ( 0.704 -0.495 7.846) 7.893 5.352 ( -1.327 -3.388 8.021) 8.807 5.548 ( 1.033 1.965 4.806) 5.294 5.570 ( 2.518 1.344 4.645) 5.452 5.830 ( 4.500 1.410 -1.974) 5.112 5.905 ( 6.255 -0.614 -6.112) 8.767 6.114 ( 3.572 -0.428 -0.213) 3.604 6.136 ( 1.940 -2.342 -0.615) 3.103 6.684 ( 0.484 0.011 2.000) 2.058 6.733 ( -0.329 -2.633 2.183) 3.436 7.008 ( -1.927 3.080 3.702) 5.187 7.179 ( -4.398 -6.101 3.915) 8.479 7.217 ( -0.990 1.790 -2.375) 3.134 7.311 ( -3.992 -3.178 -2.356) 5.620 7.472 ( -5.349 5.074 1.583) 7.541 7.617 ( -9.848 -0.743 -0.548) 9.891 7.850 ( 0.963 1.631 -3.687) 4.145 7.863 ( 0.579 0.749 -3.354) 3.485 8.313 ( 3.935 1.384 2.972) 5.122 8.352 ( 2.205 -0.090 1.137) 2.482 8.645 ( -0.789 2.365 0.964) 2.673 8.719 ( -0.996 -0.665 3.847) 4.030 8.773 ( -2.315 1.694 -9.512) 9.935 8.947 ( -6.823 -6.016 -6.029) 10.913 9.157 ( 3.837 4.169 -4.245) 7.079 9.366 ( -1.854 -1.019 -5.083) 5.506 9.520 ( 0.029 -2.657 4.077) 4.866 9.576 ( 2.104 -5.394 -2.694) 6.386 9.600 ( -2.089 -1.782 0.984) 2.916 9.837 ( -5.024 -8.992 -1.936) 10.481 10.019 ( -0.281 -1.621 -4.090) 4.409 10.054 ( -2.776 -0.417 -3.793) 4.719 10.134 ( 4.328 -4.245 -4.861) 7.770 10.210 ( 0.105 -4.548 -3.554) 5.773 10.700 ( 6.325 7.449 3.738) 10.463 10.787 ( 7.824 1.650 -0.873) 8.044 10.833 ( -1.179 6.432 4.428) 7.897 10.887 ( 0.373 1.913 -1.138) 2.257 11.131 ( 3.554 -0.216 -2.611) 4.416 11.183 ( 1.578 -4.185 -2.889) 5.324 11.388 ( 11.619 -1.228 0.187) 11.685 11.435 ( 10.919 -2.551 -3.608) 11.779 11.941 ( -1.935 6.019 7.408) 9.739 12.057 ( 2.135 0.886 3.040) 3.819 12.113 ( -5.146 8.279 1.691) 9.893 12.215 ( -2.803 4.756 -0.593) 5.552 12.326 ( 3.215 -1.257 -0.253) 3.461 12.470 ( -5.193 -3.680 1.896) 6.641 12.516 ( -2.709 5.121 3.779) 6.917 12.629 ( -8.627 0.152 -3.200) 9.203 12.871 ( -0.006 -1.122 -1.636) 1.984 12.933 ( -3.275 -2.763 -6.904) 8.125 13.236 ( 0.859 -3.003 -0.745) 3.211 13.251 ( 0.066 -4.209 -1.914) 4.625 13.367 ( 0.947 0.376 1.167) 1.549 13.389 ( -0.678 0.559 0.872) 1.238 13.417 ( -0.379 0.806 -1.154) 1.458 13.449 ( -2.494 0.072 -2.534) 3.556 13.486 ( -3.196 0.622 -1.413) 3.549 13.545 ( -4.741 -3.183 -0.566) 5.738 14.264 ( 2.407 3.909 2.303) 5.136 14.290 ( 1.689 2.284 2.315) 3.664 14.727 ( 0.564 -1.791 0.442) 1.929 14.750 ( -0.131 -2.288 -0.256) 2.306 15.137 ( -4.330 3.768 0.393) 5.754 15.155 ( -4.646 2.907 -0.412) 5.496 15.681 ( 0.467 -0.398 -0.304) 0.685 15.692 ( -0.248 -0.872 -1.253) 1.547 15.772 ( -0.641 0.243 1.026) 1.234 15.805 ( -1.836 -1.031 0.626) 2.197 16.046 ( 2.440 1.566 -0.479) 2.938 16.077 ( 1.460 0.569 0.516) 1.650 16.170 ( 1.928 1.073 -1.733) 2.805 16.200 ( 1.022 0.114 -1.692) 1.980 18.411 ( 3.684 3.182 -0.981) 4.965 18.480 ( 0.065 1.545 -1.946) 2.485 18.700 ( 5.461 -2.904 -1.343) 6.329 18.766 ( 4.370 -5.806 -3.787) 8.194 19.846 ( 0.069 0.772 -0.794) 1.109 19.882 ( -1.022 -0.964 -1.317) 1.926 20.182 ( -1.005 1.552 1.304) 2.263 20.209 ( -2.130 0.648 0.261) 2.242 21.007 ( 12.292 1.316 5.547) 13.550 21.059 ( 11.479 -0.992 0.936) 11.560 21.859 ( -10.607 1.255 7.924) 13.299 21.932 ( -12.637 -2.224 0.981) 12.869 23.501 ( 0.396 0.727 0.147) 0.840 23.539 ( -1.215 0.093 -0.048) 1.219 23.649 ( 1.976 -1.892 -0.108) 2.738 23.705 ( -0.339 -3.097 -0.671) 3.187 ======================= Grid point 164 (60/64) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -3.670 -2.601 1.142) 4.641 1.406 ( 3.670 -2.601 1.142) 4.641 1.824 ( -1.532 -2.079 -0.185) 2.589 1.824 ( 1.532 -2.079 -0.185) 2.589 2.413 ( -2.847 4.954 4.061) 7.009 2.413 ( 2.847 4.954 4.061) 7.009 2.607 ( -2.022 3.344 0.734) 3.976 2.607 ( 2.022 3.344 0.734) 3.976 2.865 ( -1.109 6.645 5.998) 9.020 2.865 ( 1.109 6.645 5.998) 9.020 2.948 ( -3.050 7.035 -1.222) 7.765 2.948 ( 3.050 7.035 -1.222) 7.765 3.109 ( -6.470 -2.703 -9.473) 11.786 3.109 ( 6.470 -2.703 -9.473) 11.786 3.447 ( -4.003 -2.481 4.758) 6.695 3.447 ( 4.003 -2.481 4.758) 6.695 3.704 ( -6.589 -7.433 1.819) 10.098 3.704 ( 6.589 -7.433 1.819) 10.098 4.100 ( -5.512 2.504 6.744) 9.063 4.100 ( 5.512 2.504 6.744) 9.063 4.183 ( -3.038 -1.889 1.865) 4.034 4.183 ( 3.038 -1.889 1.865) 4.034 4.475 ( -5.874 3.869 -5.111) 8.694 4.475 ( 5.874 3.869 -5.111) 8.694 4.601 ( -4.826 -0.272 0.292) 4.842 4.601 ( 4.826 -0.272 0.292) 4.842 4.680 ( -1.073 2.514 4.277) 5.076 4.680 ( 1.073 2.514 4.277) 5.076 5.247 ( -4.883 -0.254 5.060) 7.037 5.247 ( 4.883 -0.254 5.060) 7.037 5.300 ( -4.641 -1.778 5.722) 7.579 5.300 ( 4.641 -1.778 5.722) 7.579 5.565 ( -1.177 1.502 9.269) 9.464 5.565 ( 1.177 1.502 9.269) 9.464 5.931 ( -3.817 1.339 -2.974) 5.020 5.931 ( 3.817 1.339 -2.974) 5.020 6.163 ( -1.094 -2.564 0.596) 2.850 6.163 ( 1.094 -2.564 0.596) 2.850 6.713 ( -1.922 -0.548 1.759) 2.662 6.713 ( 1.922 -0.548 1.759) 2.662 7.034 ( -5.926 -0.373 0.202) 5.941 7.034 ( 5.926 -0.373 0.202) 5.941 7.246 ( -2.619 -1.616 1.391) 3.377 7.246 ( 2.619 -1.616 1.391) 3.377 7.474 ( -4.439 1.767 -0.778) 4.840 7.474 ( 4.439 1.767 -0.778) 4.840 7.866 ( -0.476 0.975 -3.254) 3.430 7.866 ( 0.476 0.975 -3.254) 3.430 8.362 ( -1.105 1.031 2.379) 2.818 8.362 ( 1.105 1.031 2.379) 2.818 8.659 ( -2.482 2.416 -2.050) 4.025 8.659 ( 2.482 2.416 -2.050) 4.025 8.827 ( -5.252 -3.614 -4.494) 7.800 8.827 ( 5.252 -3.614 -4.494) 7.800 9.257 ( -6.488 4.312 -4.683) 9.089 9.257 ( 6.488 4.312 -4.683) 9.089 9.554 ( -2.127 -4.885 2.695) 5.971 9.554 ( 2.127 -4.885 2.695) 5.971 9.699 ( -8.140 -7.877 -2.443) 11.588 9.699 ( 8.140 -7.877 -2.443) 11.588 10.021 ( -0.756 -2.508 -3.047) 4.019 10.021 ( 0.756 -2.508 -3.047) 4.019 10.202 ( -1.864 -4.731 -5.107) 7.206 10.202 ( 1.864 -4.731 -5.107) 7.206 10.788 ( -3.094 7.666 6.059) 10.250 10.788 ( 3.094 7.666 6.059) 10.250 10.879 ( -1.960 1.994 -2.384) 3.675 10.879 ( 1.960 1.994 -2.384) 3.675 11.185 ( -1.540 -2.397 -3.137) 4.238 11.185 ( 1.540 -2.397 -3.137) 4.238 11.540 ( -2.584 -2.979 -1.942) 4.396 11.540 ( 2.584 -2.979 -1.942) 4.396 11.970 ( -5.919 12.050 7.046) 15.162 11.970 ( 5.919 12.050 7.046) 15.162 12.145 ( -4.516 1.033 -0.350) 4.646 12.145 ( 4.516 1.033 -0.350) 4.646 12.394 ( -3.531 -2.810 2.132) 4.991 12.394 ( 3.531 -2.810 2.132) 4.991 12.498 ( -3.189 2.222 -2.339) 4.536 12.498 ( 3.189 2.222 -2.339) 4.536 12.891 ( -1.472 -1.558 -4.316) 4.819 12.891 ( 1.472 -1.558 -4.316) 4.819 13.246 ( -0.472 -3.819 -1.286) 4.057 13.246 ( 0.472 -3.819 -1.286) 4.057 13.382 ( -0.259 0.468 0.515) 0.743 13.382 ( 0.259 0.468 0.515) 0.743 13.424 ( -0.191 1.802 -1.176) 2.160 13.424 ( 0.191 1.802 -1.176) 2.160 13.468 ( -2.362 -3.185 -1.041) 4.100 13.468 ( 2.362 -3.185 -1.041) 4.100 14.298 ( -0.842 4.258 2.607) 5.063 14.298 ( 0.842 4.258 2.607) 5.063 14.742 ( -0.747 -1.720 0.208) 1.886 14.742 ( 0.747 -1.720 0.208) 1.886 15.099 ( -0.663 2.379 0.001) 2.469 15.099 ( 0.663 2.379 0.001) 2.469 15.689 ( -0.263 -0.570 -1.209) 1.362 15.689 ( 0.263 -0.570 -1.209) 1.362 15.776 ( -1.033 -0.798 1.074) 1.690 15.776 ( 1.033 -0.798 1.074) 1.690 16.082 ( -0.993 1.665 0.182) 1.947 16.082 ( 0.993 1.665 0.182) 1.947 16.198 ( -1.000 0.153 -1.725) 2.000 16.198 ( 1.000 0.153 -1.725) 2.000 18.466 ( -1.723 3.106 -2.042) 4.096 18.466 ( 1.723 3.106 -2.042) 4.096 18.783 ( -2.416 -6.110 -2.467) 7.018 18.783 ( 2.416 -6.110 -2.467) 7.018 19.859 ( -1.152 0.248 -1.074) 1.594 19.859 ( 1.152 0.248 -1.074) 1.594 20.180 ( -0.769 1.468 0.829) 1.853 20.180 ( 0.769 1.468 0.829) 1.853 21.183 ( -2.235 0.788 1.915) 3.047 21.183 ( 2.235 0.788 1.915) 3.047 21.748 ( -2.738 -0.849 6.046) 6.692 21.748 ( 2.738 -0.849 6.046) 6.692 23.516 ( -1.066 0.797 -0.170) 1.342 23.516 ( 1.066 0.797 -0.170) 1.342 23.685 ( -1.626 -3.061 -0.268) 3.477 23.685 ( 1.626 -3.061 -0.268) 3.477 ======================= Grid point 168 (61/64) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 -2.403 0.341) 2.427 1.918 ( 0.000 2.403 0.341) 2.427 2.064 ( 0.000 -0.235 0.415) 0.477 2.064 ( 0.000 0.235 0.415) 0.477 2.371 ( 0.000 -6.047 11.990) 13.429 2.371 ( 0.000 6.047 11.990) 13.429 2.684 ( 0.000 -1.490 -3.423) 3.733 2.684 ( 0.000 1.490 -3.423) 3.733 2.915 ( 0.000 -1.517 -4.324) 4.582 2.915 ( 0.000 1.517 -4.324) 4.582 3.016 ( 0.000 -0.402 1.805) 1.849 3.016 ( 0.000 0.402 1.805) 1.849 3.347 ( 0.000 -2.439 3.310) 4.111 3.347 ( 0.000 2.439 3.310) 4.111 3.470 ( 0.000 -2.017 8.426) 8.664 3.470 ( 0.000 2.017 8.426) 8.664 3.831 ( 0.000 -4.521 0.627) 4.564 3.831 ( 0.000 4.521 0.627) 4.564 3.994 ( 0.000 -2.627 -0.658) 2.708 3.994 ( 0.000 2.627 -0.658) 2.708 4.196 ( 0.000 -4.112 4.484) 6.084 4.196 ( 0.000 4.112 4.484) 6.084 4.252 ( 0.000 -0.724 -1.272) 1.464 4.252 ( 0.000 0.724 -1.272) 1.464 4.740 ( 0.000 -2.266 7.169) 7.519 4.740 ( 0.000 2.266 7.169) 7.519 4.743 ( 0.000 -1.666 6.829) 7.029 4.743 ( 0.000 1.666 6.829) 7.029 4.879 ( 0.000 -1.669 2.627) 3.113 4.879 ( 0.000 1.669 2.627) 3.113 5.163 ( 0.000 -1.521 -0.966) 1.802 5.163 ( 0.000 1.521 -0.966) 1.802 5.514 ( 0.000 -0.972 -4.851) 4.948 5.514 ( 0.000 0.972 -4.851) 4.948 5.816 ( 0.000 -2.454 -1.911) 3.111 5.816 ( 0.000 2.454 -1.911) 3.111 6.022 ( 0.000 -0.340 -1.666) 1.700 6.022 ( 0.000 0.340 -1.666) 1.700 6.702 ( 0.000 -1.615 4.369) 4.657 6.702 ( 0.000 1.615 4.369) 4.657 7.106 ( 0.000 -2.988 11.119) 11.514 7.106 ( 0.000 2.988 11.119) 11.514 7.327 ( 0.000 -3.894 -10.516) 11.214 7.327 ( 0.000 3.894 -10.516) 11.214 7.811 ( 0.000 -2.785 1.981) 3.417 7.811 ( 0.000 2.785 1.981) 3.417 7.964 ( 0.000 -1.209 -2.440) 2.723 7.964 ( 0.000 1.209 -2.440) 2.723 8.144 ( 0.000 -1.508 1.265) 1.968 8.144 ( 0.000 1.508 1.265) 1.968 8.688 ( 0.000 -1.381 4.543) 4.748 8.688 ( 0.000 1.381 4.543) 4.748 9.066 ( 0.000 -0.201 -3.916) 3.921 9.066 ( 0.000 0.201 -3.916) 3.921 9.092 ( 0.000 -5.052 -8.139) 9.579 9.092 ( 0.000 5.052 -8.139) 9.579 9.632 ( 0.000 -2.196 3.831) 4.415 9.632 ( 0.000 2.196 3.831) 4.415 9.757 ( 0.000 -4.939 -4.604) 6.752 9.757 ( 0.000 4.939 -4.604) 6.752 10.003 ( 0.000 -0.233 -8.162) 8.165 10.003 ( 0.000 0.233 -8.162) 8.165 10.307 ( 0.000 -1.943 -0.896) 2.140 10.307 ( 0.000 1.943 -0.896) 2.140 10.466 ( 0.000 -4.916 1.100) 5.038 10.466 ( 0.000 4.916 1.100) 5.038 10.872 ( 0.000 -0.092 -0.223) 0.241 10.872 ( 0.000 0.092 -0.223) 0.241 10.994 ( 0.000 -1.570 3.096) 3.471 10.994 ( 0.000 1.570 3.096) 3.471 11.090 ( 0.000 -1.991 -4.013) 4.480 11.090 ( 0.000 1.991 -4.013) 4.480 12.010 ( 0.000 -1.220 5.275) 5.415 12.010 ( 0.000 1.220 5.275) 5.415 12.237 ( 0.000 -1.476 -2.169) 2.623 12.237 ( 0.000 1.476 -2.169) 2.623 12.507 ( 0.000 -8.019 7.544) 11.010 12.507 ( 0.000 8.019 7.544) 11.010 12.644 ( 0.000 -7.894 -2.883) 8.404 12.644 ( 0.000 7.894 -2.883) 8.404 13.040 ( 0.000 -2.108 -0.226) 2.120 13.040 ( 0.000 2.108 -0.226) 2.120 13.196 ( 0.000 -2.412 -3.972) 4.648 13.196 ( 0.000 2.412 -3.972) 4.648 13.401 ( 0.000 -1.274 -0.698) 1.453 13.401 ( 0.000 1.274 -0.698) 1.453 13.464 ( 0.000 -1.269 -1.317) 1.829 13.464 ( 0.000 1.269 -1.317) 1.829 13.666 ( 0.000 -1.305 -0.755) 1.508 13.666 ( 0.000 1.305 -0.755) 1.508 14.180 ( 0.000 -0.021 1.791) 1.791 14.180 ( 0.000 0.021 1.791) 1.791 14.716 ( 0.000 -0.784 -0.500) 0.929 14.716 ( 0.000 0.784 -0.500) 0.929 15.335 ( 0.000 -0.113 -0.992) 0.999 15.335 ( 0.000 0.113 -0.992) 0.999 15.721 ( 0.000 -0.679 0.897) 1.125 15.721 ( 0.000 0.679 0.897) 1.125 15.846 ( 0.000 -1.103 0.961) 1.463 15.846 ( 0.000 1.103 0.961) 1.463 15.989 ( 0.000 -0.318 -1.943) 1.969 15.989 ( 0.000 0.318 -1.943) 1.969 16.107 ( 0.000 -0.421 -0.928) 1.019 16.107 ( 0.000 0.421 -0.928) 1.019 18.398 ( 0.000 -0.052 3.306) 3.307 18.398 ( 0.000 0.052 3.306) 3.307 18.562 ( 0.000 -2.565 -5.121) 5.728 18.562 ( 0.000 2.565 -5.121) 5.728 19.870 ( 0.000 -0.703 -1.250) 1.434 19.870 ( 0.000 0.703 -1.250) 1.434 20.255 ( 0.000 -1.032 0.530) 1.160 20.255 ( 0.000 1.032 0.530) 1.160 20.730 ( 0.000 -1.461 5.369) 5.564 20.730 ( 0.000 1.461 5.369) 5.564 22.170 ( 0.000 -2.988 1.970) 3.579 22.170 ( 0.000 2.988 1.970) 3.579 23.526 ( 0.000 -1.165 0.322) 1.208 23.526 ( 0.000 1.165 0.322) 1.208 23.644 ( 0.000 -1.858 -0.659) 1.971 23.644 ( 0.000 1.858 -0.659) 1.971 ======================= Grid point 170 (62/64) ======================= q-point: ( 0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -5.078 -0.565 1.417) 5.302 1.838 ( -5.078 0.565 1.417) 5.302 1.994 ( -14.777 -1.502 1.869) 14.971 1.994 ( -14.777 1.502 1.869) 14.971 2.351 ( 5.247 -4.392 5.981) 9.088 2.351 ( 5.247 4.392 5.981) 9.088 2.676 ( -2.352 -4.665 -4.337) 6.790 2.676 ( -2.352 4.665 -4.337) 6.790 2.884 ( -2.828 -6.409 5.100) 8.665 2.884 ( -2.828 6.409 5.100) 8.665 2.997 ( 0.404 -5.984 -2.403) 6.461 2.997 ( 0.404 5.984 -2.403) 6.461 3.312 ( -5.230 -7.081 1.427) 8.918 3.312 ( -5.230 7.081 1.427) 8.918 3.481 ( 1.367 -3.634 7.852) 8.760 3.481 ( 1.367 3.634 7.852) 8.760 3.880 ( -0.076 -7.256 -0.182) 7.258 3.880 ( -0.076 7.256 -0.182) 7.258 3.942 ( -6.878 -6.219 -2.504) 9.605 3.942 ( -6.878 6.219 -2.504) 9.605 4.172 ( 7.654 -3.630 0.590) 8.492 4.172 ( 7.654 3.630 0.590) 8.492 4.284 ( 1.048 -4.495 3.934) 6.065 4.284 ( 1.048 4.495 3.934) 6.065 4.663 ( -2.124 -3.278 6.017) 7.174 4.663 ( -2.124 3.278 6.017) 7.174 4.750 ( -3.174 -2.889 3.069) 5.276 4.750 ( -3.174 2.889 3.069) 5.276 5.016 ( 9.309 -2.504 3.670) 10.315 5.016 ( 9.309 2.504 3.670) 10.315 5.237 ( 6.303 -1.423 7.045) 9.560 5.237 ( 6.303 1.423 7.045) 9.560 5.527 ( 1.848 -1.782 -3.430) 4.284 5.527 ( 1.848 1.782 -3.430) 4.284 5.823 ( 0.704 -1.852 -3.827) 4.309 5.823 ( 0.704 1.852 -3.827) 4.309 6.049 ( 2.730 -1.629 -1.394) 3.471 6.049 ( 2.730 1.629 -1.394) 3.471 6.700 ( -0.203 -1.544 3.479) 3.811 6.700 ( -0.203 1.544 3.479) 3.811 7.102 ( -0.582 -3.718 9.871) 10.564 7.102 ( -0.582 3.718 9.871) 10.564 7.307 ( -2.050 -3.340 -9.644) 10.409 7.307 ( -2.050 3.340 -9.644) 10.409 7.753 ( -8.726 -4.782 4.190) 10.797 7.753 ( -8.726 4.782 4.190) 10.797 7.870 ( -2.279 -0.961 -4.773) 5.376 7.870 ( -2.279 0.961 -4.773) 5.376 8.243 ( 6.200 -1.928 2.268) 6.878 8.243 ( 6.200 1.928 2.268) 6.878 8.690 ( 0.115 -1.277 3.797) 4.008 8.690 ( 0.115 1.277 3.797) 4.008 8.966 ( -6.716 -4.550 -8.009) 11.400 8.966 ( -6.716 4.550 -8.009) 11.400 9.167 ( 4.736 -5.502 -4.341) 8.458 9.167 ( 4.736 5.502 -4.341) 8.458 9.588 ( -4.510 -3.483 0.852) 5.762 9.588 ( -4.510 3.483 0.852) 5.762 9.730 ( -1.727 -7.486 -0.885) 7.733 9.730 ( -1.727 7.486 -0.885) 7.733 10.024 ( 1.576 -1.425 -8.122) 8.395 10.024 ( 1.576 1.425 -8.122) 8.395 10.193 ( -7.027 -2.869 -1.359) 7.711 10.193 ( -7.027 2.869 -1.359) 7.711 10.610 ( 10.455 -1.405 0.722) 10.574 10.610 ( 10.455 1.405 0.722) 10.574 10.895 ( 0.817 -0.469 2.989) 3.134 10.895 ( 0.817 0.469 2.989) 3.134 11.069 ( 4.981 -3.018 -1.461) 6.004 11.069 ( 4.981 3.018 -1.461) 6.004 11.159 ( 9.199 -2.958 -2.954) 10.104 11.159 ( 9.199 2.958 -2.954) 10.104 12.008 ( 0.043 -1.457 5.054) 5.260 12.008 ( 0.043 1.457 5.054) 5.260 12.242 ( 0.580 -2.689 -1.563) 3.163 12.242 ( 0.580 2.689 -1.563) 3.163 12.463 ( -4.574 -9.187 7.080) 12.467 12.463 ( -4.574 9.187 7.080) 12.467 12.650 ( 0.075 -7.234 -1.441) 7.376 12.650 ( 0.075 7.234 -1.441) 7.376 12.969 ( -5.973 -2.644 -3.772) 7.543 12.969 ( -5.973 2.644 -3.772) 7.543 13.205 ( 0.500 -1.736 -2.240) 2.877 13.205 ( 0.500 1.736 -2.240) 2.877 13.395 ( -0.643 -1.564 0.009) 1.691 13.395 ( -0.643 1.564 0.009) 1.691 13.449 ( -1.296 -1.615 -1.839) 2.769 13.449 ( -1.296 1.615 -1.839) 2.769 13.609 ( -4.885 -1.543 -0.743) 5.176 13.609 ( -4.885 1.543 -0.743) 5.176 14.230 ( 4.201 -0.612 2.114) 4.743 14.230 ( 4.201 0.612 2.114) 4.743 14.714 ( -0.035 -0.911 -0.417) 1.003 14.714 ( -0.035 0.911 -0.417) 1.003 15.287 ( -4.815 -0.304 -0.549) 4.856 15.287 ( -4.815 0.304 -0.549) 4.856 15.694 ( -1.651 -0.710 0.297) 1.822 15.694 ( -1.651 0.710 0.297) 1.822 15.821 ( -2.027 -1.373 0.711) 2.549 15.821 ( -2.027 1.373 0.711) 2.549 16.019 ( 2.622 -1.022 -1.000) 2.986 16.019 ( 2.622 1.022 -1.000) 2.986 16.150 ( 3.082 -0.917 -1.314) 3.474 16.150 ( 3.082 0.917 -1.314) 3.474 18.419 ( 2.219 -3.970 0.779) 4.615 18.419 ( 2.219 3.970 0.779) 4.615 18.610 ( 4.152 -1.885 -3.351) 5.658 18.610 ( 4.152 1.885 -3.351) 5.658 19.867 ( -0.248 -1.085 -1.295) 1.708 19.867 ( -0.248 1.085 -1.295) 1.708 20.236 ( -1.608 -1.227 0.810) 2.179 20.236 ( -1.608 1.227 0.810) 2.179 20.820 ( 8.795 -1.563 4.808) 10.145 20.820 ( 8.795 1.563 4.808) 10.145 22.091 ( -7.922 -2.748 2.728) 8.818 22.091 ( -7.922 2.748 2.728) 8.818 23.523 ( -0.193 -1.617 -0.155) 1.636 23.523 ( -0.193 1.617 -0.155) 1.636 23.649 ( 0.312 -2.438 -0.323) 2.479 23.649 ( 0.312 2.438 -0.323) 2.479 ======================= Grid point 172 (63/64) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -18.657 -3.273 2.812) 19.149 1.592 ( -18.657 3.273 2.812) 19.149 1.806 ( -1.693 -2.082 -0.749) 2.786 1.806 ( -1.693 2.082 -0.749) 2.786 2.478 ( 3.293 -3.882 6.078) 7.928 2.478 ( 3.293 3.882 6.078) 7.928 2.607 ( -1.091 -5.728 -3.574) 6.839 2.607 ( -1.091 5.728 -3.574) 6.839 2.877 ( 1.939 -6.075 7.267) 9.668 2.877 ( 1.939 6.075 7.267) 9.668 3.020 ( 1.241 -4.028 -3.499) 5.478 3.020 ( 1.241 4.028 -3.499) 5.478 3.182 ( -6.885 -4.721 -3.595) 9.090 3.182 ( -6.885 4.721 -3.595) 9.090 3.472 ( -2.339 -3.572 5.098) 6.650 3.472 ( -2.339 3.572 5.098) 6.650 3.691 ( -8.812 -9.057 0.097) 12.637 3.691 ( -8.812 9.057 0.097) 12.637 4.030 ( 7.060 -4.261 -1.254) 8.341 4.030 ( 7.060 4.261 -1.254) 8.341 4.198 ( -2.605 -1.653 5.199) 6.045 4.198 ( -2.605 1.653 5.199) 6.045 4.433 ( 9.159 -0.836 -0.837) 9.235 4.433 ( 9.159 0.836 -0.837) 9.235 4.651 ( -2.017 -2.392 -0.236) 3.137 4.651 ( -2.017 2.392 -0.236) 3.137 4.674 ( -0.983 -2.166 5.579) 6.065 4.674 ( -0.983 2.166 5.579) 6.065 5.161 ( 5.734 -1.652 4.782) 7.647 5.161 ( 5.734 1.652 4.782) 7.647 5.314 ( 0.833 -1.253 9.207) 9.329 5.314 ( 0.833 1.253 9.207) 9.329 5.575 ( 1.407 -0.857 5.569) 5.807 5.575 ( 1.407 0.857 5.569) 5.807 5.872 ( 5.106 -2.671 -5.724) 8.122 5.872 ( 5.106 2.671 -5.724) 8.122 6.108 ( 2.640 -0.305 -0.704) 2.749 6.108 ( 2.640 0.305 -0.704) 2.749 6.701 ( 0.595 -1.318 2.450) 2.845 6.701 ( 0.595 1.318 2.450) 2.845 7.071 ( -3.029 -4.473 4.916) 7.304 7.071 ( -3.029 4.473 4.916) 7.304 7.257 ( -2.521 -2.390 -5.507) 6.511 7.257 ( -2.521 2.390 -5.507) 6.511 7.566 ( -7.879 -4.327 2.146) 9.241 7.566 ( -7.879 4.327 2.146) 9.241 7.869 ( 0.630 -0.299 -3.032) 3.111 7.869 ( 0.630 0.299 -3.032) 3.111 8.337 ( 3.371 -1.166 3.407) 4.932 8.337 ( 3.371 1.166 3.407) 4.932 8.691 ( 0.068 -2.075 2.040) 2.910 8.691 ( 0.068 2.075 2.040) 2.910 8.842 ( -5.316 -4.849 -9.924) 12.258 8.842 ( -5.316 4.849 -9.924) 12.258 9.271 ( 5.879 -7.488 -2.790) 9.920 9.271 ( 5.879 7.488 -2.790) 9.920 9.494 ( -4.521 -1.348 0.429) 4.737 9.494 ( -4.521 1.348 0.429) 4.737 9.680 ( -3.549 -7.036 -0.977) 7.941 9.680 ( -3.549 7.036 -0.977) 7.941 10.028 ( -1.854 -2.323 -2.787) 4.074 10.028 ( -1.854 2.323 -2.787) 4.074 10.128 ( 0.952 -3.513 -5.819) 6.864 10.128 ( 0.952 3.513 -5.819) 6.864 10.794 ( 7.643 -1.900 1.552) 8.027 10.794 ( 7.643 1.900 1.552) 8.027 10.898 ( -0.337 -0.935 2.038) 2.267 10.898 ( -0.337 0.935 2.038) 2.267 11.138 ( 2.596 -1.084 -1.864) 3.374 11.138 ( 2.596 1.084 -1.864) 3.374 11.388 ( 11.194 -1.839 -3.215) 11.790 11.388 ( 11.194 1.839 -3.215) 11.790 12.029 ( 2.779 -3.162 5.000) 6.536 12.029 ( 2.779 3.162 5.000) 6.536 12.251 ( -1.257 -5.003 3.024) 5.980 12.251 ( -1.257 5.003 3.024) 5.980 12.350 ( -5.084 -7.313 2.603) 9.279 12.350 ( -5.084 7.313 2.603) 9.279 12.605 ( -5.224 -3.080 -0.641) 6.098 12.605 ( -5.224 3.080 -0.641) 6.098 12.884 ( -1.611 -2.235 -6.674) 7.220 12.884 ( -1.611 2.235 -6.674) 7.220 13.208 ( -0.133 -0.594 -1.188) 1.334 13.208 ( -0.133 0.594 -1.188) 1.334 13.382 ( -0.415 -1.102 0.905) 1.485 13.382 ( -0.415 1.102 0.905) 1.485 13.430 ( -0.402 -1.117 -2.403) 2.680 13.430 ( -0.402 1.117 -2.403) 2.680 13.512 ( -4.668 -1.209 -0.632) 4.863 13.512 ( -4.668 1.209 -0.632) 4.863 14.306 ( 3.101 -0.588 2.710) 4.160 14.306 ( 3.101 0.588 2.710) 4.160 14.719 ( 0.521 -0.835 -0.192) 1.003 14.719 ( 0.521 0.835 -0.192) 1.003 15.179 ( -5.255 -0.509 -0.098) 5.281 15.179 ( -5.255 0.509 -0.098) 5.281 15.680 ( 0.057 -0.344 -0.604) 0.698 15.680 ( 0.057 0.344 -0.604) 0.698 15.784 ( -1.582 -1.033 0.733) 2.026 15.784 ( -1.582 1.033 0.733) 2.026 16.072 ( 2.502 -0.998 -0.023) 2.694 16.072 ( 2.502 0.998 -0.023) 2.694 16.192 ( 1.089 -1.004 -1.744) 2.288 16.192 ( 1.089 1.004 -1.744) 2.288 18.473 ( 2.834 -2.502 -2.195) 4.371 18.473 ( 2.834 2.502 -2.195) 4.371 18.685 ( 2.985 -1.883 -1.645) 3.894 18.685 ( 2.985 1.883 -1.645) 3.894 19.862 ( -0.210 -0.992 -1.389) 1.719 19.862 ( -0.210 0.992 -1.389) 1.719 20.207 ( -1.169 -0.870 1.128) 1.843 20.207 ( -1.169 0.870 1.128) 1.843 21.035 ( 12.207 -1.498 3.349) 12.747 21.035 ( 12.207 1.498 3.349) 12.747 21.891 ( -11.705 -2.041 4.725) 12.787 21.891 ( -11.705 2.041 4.725) 12.787 23.524 ( 0.247 -1.447 -0.939) 1.743 23.524 ( 0.247 1.447 -0.939) 1.743 23.652 ( -0.025 -2.072 0.202) 2.082 23.652 ( -0.025 2.072 0.202) 2.082 ======================= Grid point 174 (64/64) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.000 0.000 0.536) 0.536 1.385 ( 0.000 0.000 0.536) 0.536 1.795 ( 0.000 0.000 0.394) 0.394 1.795 ( 0.000 0.000 0.394) 0.394 2.473 ( 0.000 0.000 4.266) 4.266 2.473 ( 0.000 0.000 4.266) 4.266 2.637 ( 0.000 0.000 1.904) 1.904 2.637 ( 0.000 0.000 1.904) 1.904 2.910 ( 0.000 0.000 5.935) 5.935 2.910 ( 0.000 0.000 5.935) 5.935 3.033 ( 0.000 0.000 -1.015) 1.015 3.033 ( 0.000 0.000 -1.015) 1.015 3.100 ( 0.000 0.000 -11.961) 11.961 3.100 ( -0.000 0.000 -11.961) 11.961 3.436 ( 0.000 -0.000 5.219) 5.219 3.436 ( 0.000 0.000 5.219) 5.219 3.606 ( 0.000 0.000 1.208) 1.208 3.606 ( 0.000 0.000 1.208) 1.208 4.131 ( 0.000 -0.000 4.662) 4.662 4.131 ( 0.000 0.000 4.662) 4.662 4.150 ( -0.000 -0.000 1.861) 1.861 4.150 ( -0.000 0.000 1.861) 1.861 4.520 ( 0.000 0.000 -5.670) 5.670 4.520 ( 0.000 0.000 -5.670) 5.670 4.594 ( 0.000 0.000 2.048) 2.048 4.594 ( 0.000 0.000 2.048) 2.048 4.707 ( 0.000 0.000 5.178) 5.178 4.707 ( 0.000 -0.000 5.178) 5.178 5.224 ( 0.000 0.000 5.011) 5.011 5.224 ( 0.000 0.000 5.011) 5.011 5.308 ( 0.000 0.000 6.603) 6.603 5.308 ( 0.000 0.000 6.603) 6.603 5.577 ( 0.000 0.000 10.146) 10.146 5.577 ( 0.000 0.000 10.146) 10.146 5.948 ( 0.000 0.000 -5.416) 5.416 5.948 ( 0.000 0.000 -5.416) 5.416 6.132 ( 0.000 0.000 1.379) 1.379 6.132 ( 0.000 0.000 1.379) 1.379 6.715 ( 0.000 0.000 2.814) 2.814 6.715 ( 0.000 0.000 2.814) 2.814 7.019 ( -0.000 0.000 -0.374) 0.374 7.019 ( 0.000 0.000 -0.374) 0.374 7.233 ( 0.000 0.000 -0.932) 0.932 7.233 ( 0.000 0.000 -0.932) 0.932 7.489 ( 0.000 0.000 0.858) 0.858 7.489 ( 0.000 0.000 0.858) 0.858 7.876 ( -0.000 0.000 -2.538) 2.538 7.876 ( 0.000 0.000 -2.538) 2.538 8.370 ( 0.000 0.000 3.605) 3.605 8.370 ( 0.000 0.000 3.605) 3.605 8.692 ( 0.000 0.000 0.931) 0.931 8.692 ( 0.000 0.000 0.931) 0.931 8.787 ( 0.000 0.000 -10.300) 10.300 8.787 ( 0.000 0.000 -10.300) 10.300 9.359 ( 0.000 -0.000 -3.666) 3.666 9.359 ( 0.000 0.000 -3.666) 3.666 9.429 ( -0.000 -0.000 2.596) 2.596 9.429 ( 0.000 0.000 2.596) 2.596 9.633 ( -0.000 0.000 -2.141) 2.141 9.633 ( 0.000 0.000 -2.141) 2.141 10.003 ( 0.000 -0.000 -1.663) 1.663 10.003 ( 0.000 0.000 -1.663) 1.663 10.151 ( 0.000 0.000 -6.334) 6.334 10.151 ( 0.000 0.000 -6.334) 6.334 10.880 ( 0.000 -0.000 1.933) 1.933 10.880 ( -0.000 0.000 1.933) 1.933 10.885 ( -0.000 -0.000 1.657) 1.657 10.885 ( 0.000 0.000 1.657) 1.657 11.165 ( 0.000 0.000 -1.878) 1.878 11.165 ( 0.000 0.000 -1.878) 1.878 11.507 ( 0.000 0.000 -3.551) 3.551 11.507 ( 0.000 0.000 -3.551) 3.551 12.124 ( -0.000 0.000 1.594) 1.594 12.124 ( -0.000 0.000 1.594) 1.594 12.142 ( 0.000 -0.000 11.584) 11.584 12.142 ( 0.000 -0.000 11.584) 11.584 12.337 ( 0.000 -0.000 -2.706) 2.706 12.337 ( -0.000 0.000 -2.706) 2.706 12.524 ( 0.000 0.000 -1.915) 1.915 12.524 ( 0.000 0.000 -1.915) 1.915 12.879 ( 0.000 0.000 -5.844) 5.844 12.879 ( 0.000 0.000 -5.844) 5.844 13.205 ( -0.000 -0.000 -1.113) 1.113 13.205 ( 0.000 0.000 -1.113) 1.113 13.381 ( 0.000 0.000 0.422) 0.422 13.381 ( 0.000 0.000 0.422) 0.422 13.441 ( -0.000 0.000 -1.792) 1.792 13.441 ( 0.000 0.000 -1.792) 1.792 13.445 ( -0.000 0.000 -0.531) 0.531 13.445 ( 0.000 0.000 -0.531) 0.531 14.337 ( 0.000 0.000 2.983) 2.983 14.337 ( 0.000 0.000 2.983) 2.983 14.727 ( 0.000 0.000 -0.002) 0.002 14.727 ( 0.000 0.000 -0.002) 0.002 15.122 ( 0.000 0.000 -0.099) 0.099 15.122 ( 0.000 0.000 -0.099) 0.099 15.683 ( 0.000 0.000 -1.085) 1.085 15.683 ( 0.000 0.000 -1.085) 1.085 15.767 ( 0.000 0.000 0.948) 0.948 15.767 ( 0.000 0.000 0.948) 0.948 16.100 ( -0.000 0.000 0.521) 0.521 16.100 ( 0.000 0.000 0.521) 0.521 16.199 ( 0.000 0.000 -2.087) 2.087 16.199 ( 0.000 0.000 -2.087) 2.087 18.505 ( 0.000 -0.000 -3.272) 3.272 18.505 ( 0.000 0.000 -3.272) 3.272 18.714 ( 0.000 0.000 -1.092) 1.092 18.714 ( 0.000 0.000 -1.092) 1.092 19.860 ( 0.000 0.000 -1.437) 1.437 19.860 ( 0.000 0.000 -1.437) 1.437 20.196 ( 0.000 0.000 1.232) 1.232 20.196 ( 0.000 0.000 1.232) 1.232 21.191 ( 0.000 0.000 1.548) 1.548 21.191 ( 0.000 0.000 1.548) 1.548 21.739 ( 0.000 0.000 6.805) 6.805 21.739 ( 0.000 0.000 6.805) 6.805 23.527 ( 0.000 0.000 -1.315) 1.315 23.527 ( 0.000 0.000 -1.315) 1.315 23.651 ( 0.000 0.000 0.459) 0.459 23.651 ( 0.000 0.000 0.459) 0.459 =================== 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 3/30240 10.0 628.006 686.918 502.162 0.000 0.000 0.000 3/30240 20.0 68.123 71.638 75.745 0.000 0.000 0.000 3/30240 30.0 24.107 25.740 27.578 0.000 0.000 0.000 3/30240 40.0 13.396 14.250 15.360 0.000 0.000 0.000 3/30240 50.0 9.087 9.587 10.454 0.000 0.000 0.000 3/30240 60.0 6.828 7.147 7.898 0.000 0.000 -0.000 3/30240 70.0 5.446 5.663 6.340 0.000 0.000 -0.000 3/30240 80.0 4.515 4.672 5.289 0.000 0.000 0.000 3/30240 90.0 3.847 3.965 4.532 0.000 0.000 0.000 3/30240 100.0 3.346 3.438 3.961 0.000 0.000 0.000 3/30240 110.0 2.957 3.032 3.515 0.000 0.000 0.000 3/30240 120.0 2.648 2.710 3.159 0.000 0.000 0.000 3/30240 130.0 2.398 2.449 2.868 0.000 0.000 0.000 3/30240 140.0 2.191 2.234 2.626 0.000 0.000 0.000 3/30240 150.0 2.019 2.053 2.422 0.000 0.000 0.000 3/30240 160.0 1.873 1.901 2.249 0.000 0.000 0.000 3/30240 170.0 1.747 1.770 2.099 0.000 0.000 0.000 3/30240 180.0 1.639 1.656 1.969 0.000 0.000 0.000 3/30240 190.0 1.544 1.556 1.854 0.000 0.000 0.000 3/30240 200.0 1.461 1.469 1.753 0.000 0.000 0.000 3/30240 210.0 1.387 1.391 1.663 0.000 0.000 0.000 3/30240 220.0 1.321 1.321 1.582 0.000 0.000 0.000 3/30240 230.0 1.262 1.258 1.509 0.000 0.000 0.000 3/30240 240.0 1.208 1.201 1.443 0.000 0.000 0.000 3/30240 250.0 1.159 1.150 1.383 0.000 0.000 0.000 3/30240 260.0 1.114 1.102 1.327 0.000 0.000 0.000 3/30240 270.0 1.073 1.059 1.277 0.000 0.000 0.000 3/30240 280.0 1.035 1.019 1.230 0.000 0.000 0.000 3/30240 290.0 1.000 0.982 1.186 0.000 0.000 0.000 3/30240 300.0 0.968 0.948 1.146 0.000 0.000 0.000 3/30240 310.0 0.937 0.916 1.109 0.000 0.000 0.000 3/30240 320.0 0.909 0.887 1.074 0.000 0.000 0.000 3/30240 330.0 0.882 0.859 1.041 0.000 0.000 0.000 3/30240 340.0 0.857 0.833 1.010 0.000 0.000 0.000 3/30240 350.0 0.833 0.808 0.981 0.000 0.000 0.000 3/30240 360.0 0.811 0.785 0.954 0.000 0.000 0.000 3/30240 370.0 0.790 0.764 0.928 0.000 0.000 0.000 3/30240 380.0 0.770 0.743 0.903 0.000 0.000 0.000 3/30240 390.0 0.751 0.724 0.880 0.000 0.000 0.000 3/30240 400.0 0.733 0.705 0.858 0.000 0.000 0.000 3/30240 410.0 0.716 0.688 0.838 0.000 0.000 0.000 3/30240 420.0 0.700 0.671 0.818 0.000 0.000 0.000 3/30240 430.0 0.684 0.656 0.799 0.000 0.000 0.000 3/30240 440.0 0.669 0.640 0.781 0.000 0.000 0.000 3/30240 450.0 0.655 0.626 0.763 0.000 0.000 0.000 3/30240 460.0 0.642 0.612 0.747 0.000 0.000 0.000 3/30240 470.0 0.628 0.599 0.731 0.000 0.000 0.000 3/30240 480.0 0.616 0.587 0.716 0.000 0.000 0.000 3/30240 490.0 0.604 0.575 0.702 0.000 0.000 0.000 3/30240 500.0 0.592 0.563 0.688 0.000 0.000 0.000 3/30240 510.0 0.581 0.552 0.674 0.000 0.000 0.000 3/30240 520.0 0.570 0.541 0.661 0.000 0.000 0.000 3/30240 530.0 0.560 0.531 0.649 0.000 0.000 0.000 3/30240 540.0 0.550 0.521 0.637 0.000 0.000 0.000 3/30240 550.0 0.540 0.512 0.626 0.000 0.000 0.000 3/30240 560.0 0.531 0.503 0.615 0.000 0.000 0.000 3/30240 570.0 0.522 0.494 0.604 0.000 0.000 0.000 3/30240 580.0 0.514 0.485 0.594 0.000 0.000 0.000 3/30240 590.0 0.505 0.477 0.584 0.000 0.000 0.000 3/30240 600.0 0.497 0.469 0.574 0.000 0.000 0.000 3/30240 610.0 0.489 0.461 0.565 0.000 0.000 0.000 3/30240 620.0 0.482 0.454 0.556 0.000 0.000 0.000 3/30240 630.0 0.474 0.447 0.547 0.000 0.000 0.000 3/30240 640.0 0.467 0.440 0.538 0.000 0.000 0.000 3/30240 650.0 0.460 0.433 0.530 0.000 0.000 0.000 3/30240 660.0 0.453 0.426 0.522 0.000 0.000 0.000 3/30240 670.0 0.447 0.420 0.515 0.000 0.000 0.000 3/30240 680.0 0.440 0.414 0.507 0.000 0.000 0.000 3/30240 690.0 0.434 0.408 0.500 0.000 0.000 0.000 3/30240 700.0 0.428 0.402 0.493 0.000 0.000 0.000 3/30240 710.0 0.422 0.396 0.486 0.000 0.000 0.000 3/30240 720.0 0.417 0.391 0.479 0.000 0.000 0.000 3/30240 730.0 0.411 0.385 0.473 0.000 0.000 0.000 3/30240 740.0 0.406 0.380 0.466 0.000 0.000 0.000 3/30240 750.0 0.400 0.375 0.460 0.000 0.000 0.000 3/30240 760.0 0.395 0.370 0.454 0.000 0.000 0.000 3/30240 770.0 0.390 0.365 0.448 0.000 0.000 0.000 3/30240 780.0 0.385 0.361 0.443 0.000 0.000 0.000 3/30240 790.0 0.381 0.356 0.437 0.000 0.000 0.000 3/30240 800.0 0.376 0.352 0.432 0.000 0.000 0.000 3/30240 810.0 0.371 0.347 0.426 0.000 0.000 0.000 3/30240 820.0 0.367 0.343 0.421 0.000 0.000 0.000 3/30240 830.0 0.363 0.339 0.416 0.000 0.000 0.000 3/30240 840.0 0.358 0.335 0.411 0.000 0.000 0.000 3/30240 850.0 0.354 0.331 0.406 0.000 0.000 0.000 3/30240 860.0 0.350 0.327 0.402 0.000 0.000 0.000 3/30240 870.0 0.346 0.323 0.397 0.000 0.000 0.000 3/30240 880.0 0.342 0.320 0.393 0.000 0.000 0.000 3/30240 890.0 0.339 0.316 0.388 0.000 0.000 0.000 3/30240 900.0 0.335 0.313 0.384 0.000 0.000 0.000 3/30240 910.0 0.331 0.309 0.380 0.000 0.000 0.000 3/30240 920.0 0.328 0.306 0.376 0.000 0.000 0.000 3/30240 930.0 0.324 0.303 0.372 0.000 0.000 0.000 3/30240 940.0 0.321 0.299 0.368 0.000 0.000 0.000 3/30240 950.0 0.318 0.296 0.364 0.000 0.000 0.000 3/30240 960.0 0.314 0.293 0.360 0.000 0.000 0.000 3/30240 970.0 0.311 0.290 0.356 0.000 0.000 0.000 3/30240 980.0 0.308 0.287 0.353 0.000 0.000 0.000 3/30240 990.0 0.305 0.284 0.349 0.000 0.000 0.000 3/30240 1000.0 0.302 0.281 0.346 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m667.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:35:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|