----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:54:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.872090309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 20.032534370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.426350299999998 Atomic positions (fractional): *1 Ho 0.00000000000000 0.89268291155018 0.86713872231893 164.930 2 Ho 0.00000000000000 0.10731708844982 0.36713872231893 164.930 *3 Ho 0.00000000000000 0.58811193415410 0.55123687454955 164.930 4 Ho 0.00000000000000 0.41188806584590 0.05123687454955 164.930 *5 Sn 0.50000000000000 0.08999995827064 0.67591592747843 118.710 *6 Sn 0.50000000000000 0.75006865730503 0.69239318562082 118.710 *7 Sn 0.50000000000000 0.57172272982487 0.20356186801051 118.710 8 Sn 0.50000000000000 0.24993134269497 0.19239318562082 118.710 9 Sn 0.50000000000000 0.42827727017513 0.70356186801051 118.710 10 Sn 0.50000000000000 0.91000004172936 0.17591592747844 118.710 *11 Pb 0.00000000000000 0.73805163974882 0.28614719507687 207.200 *12 Pb 0.00000000000000 0.08350911220653 0.99021696531039 207.200 13 Pb 0.00000000000000 0.91649088779346 0.49021696531039 207.200 14 Pb 0.00000000000000 0.26194836025118 0.78614719507687 207.200 *15 Pb 0.00000000000000 0.61945309541046 0.92435502478664 207.200 16 Pb 0.00000000000000 0.38054690458954 0.42435502478664 207.200 *17 S 0.50000000000000 0.36247206086235 0.89321230999595 32.065 *18 S 0.50000000000000 0.67734929675363 0.09709915726399 32.065 19 S 0.50000000000000 0.63752793913765 0.39321230999595 32.065 *20 S 0.50000000000000 0.37498485521104 0.21564704826913 32.065 *21 S 0.00000000000000 0.16099902835947 0.59167869418094 32.065 *22 S 0.50000000000000 0.87629740890519 0.69935433128783 32.065 *23 S 0.00000000000000 0.98296059898842 0.25716497675315 32.065 *24 S 0.50000000000000 0.16000828215270 0.85874032002345 32.065 25 S 0.00000000000000 0.01703940101158 0.75716497675315 32.065 *26 S 0.00000000000000 0.49836576798408 0.75455886873332 32.065 27 S 0.50000000000000 0.12370259109482 0.19935433128783 32.065 28 S 0.50000000000000 0.62501514478896 0.71564704826913 32.065 *29 S 0.50000000000000 0.96746583316672 0.97829955197571 32.065 *30 S 0.50000000000000 0.50921238818774 0.00983112018769 32.065 *31 S 0.00000000000000 0.75645316765598 0.84611493156308 32.065 32 S 0.50000000000000 0.49078761181226 0.50983112018769 32.065 33 S 0.50000000000000 0.32265070324637 0.59709915726399 32.065 34 S 0.00000000000000 0.83900097164053 0.09167869418094 32.065 *35 S 0.00000000000000 0.73630112938075 0.54653293661361 32.065 36 S 0.50000000000000 0.83999171784730 0.35874032002345 32.065 37 S 0.00000000000000 0.24354683234402 0.34611493156308 32.065 38 S 0.00000000000000 0.50163423201591 0.25455886873332 32.065 39 S 0.50000000000000 0.03253416683328 0.47829955197571 32.065 40 S 0.00000000000000 0.26369887061925 0.04653293661361 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.872090309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 20.032534370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.426350299999998 Atomic positions (fractional): *1 Ho 0.00000000000000 0.89268291155018 0.86713872231893 164.930 > 1 2 Ho 0.00000000000000 0.10731708844982 0.36713872231893 164.930 > 2 *3 Ho 0.00000000000000 0.58811193415410 0.55123687454955 164.930 > 3 4 Ho 0.00000000000000 0.41188806584590 0.05123687454955 164.930 > 4 *5 Sn 0.50000000000000 0.08999995827064 0.67591592747843 118.710 > 5 *6 Sn 0.50000000000000 0.75006865730503 0.69239318562082 118.710 > 6 *7 Sn 0.50000000000000 0.57172272982487 0.20356186801051 118.710 > 7 8 Sn 0.50000000000000 0.24993134269497 0.19239318562082 118.710 > 8 9 Sn 0.50000000000000 0.42827727017513 0.70356186801051 118.710 > 9 10 Sn 0.50000000000000 0.91000004172936 0.17591592747844 118.710 > 10 *11 Pb 0.00000000000000 0.73805163974882 0.28614719507687 207.200 > 11 *12 Pb 0.00000000000000 0.08350911220653 0.99021696531039 207.200 > 12 13 Pb 0.00000000000000 0.91649088779346 0.49021696531039 207.200 > 13 14 Pb 0.00000000000000 0.26194836025118 0.78614719507687 207.200 > 14 *15 Pb 0.00000000000000 0.61945309541046 0.92435502478664 207.200 > 15 16 Pb 0.00000000000000 0.38054690458954 0.42435502478664 207.200 > 16 *17 S 0.50000000000000 0.36247206086235 0.89321230999595 32.065 > 17 *18 S 0.50000000000000 0.67734929675363 0.09709915726399 32.065 > 18 19 S 0.50000000000000 0.63752793913765 0.39321230999595 32.065 > 19 *20 S 0.50000000000000 0.37498485521104 0.21564704826913 32.065 > 20 *21 S 0.00000000000000 0.16099902835947 0.59167869418094 32.065 > 21 *22 S 0.50000000000000 0.87629740890519 0.69935433128783 32.065 > 22 *23 S 0.00000000000000 0.98296059898842 0.25716497675315 32.065 > 23 *24 S 0.50000000000000 0.16000828215270 0.85874032002345 32.065 > 24 25 S 0.00000000000000 0.01703940101158 0.75716497675315 32.065 > 25 *26 S 0.00000000000000 0.49836576798408 0.75455886873332 32.065 > 26 27 S 0.50000000000000 0.12370259109482 0.19935433128783 32.065 > 27 28 S 0.50000000000000 0.62501514478896 0.71564704826913 32.065 > 28 *29 S 0.50000000000000 0.96746583316672 0.97829955197571 32.065 > 29 *30 S 0.50000000000000 0.50921238818774 0.00983112018769 32.065 > 30 *31 S 0.00000000000000 0.75645316765598 0.84611493156308 32.065 > 31 32 S 0.50000000000000 0.49078761181226 0.50983112018769 32.065 > 32 33 S 0.50000000000000 0.32265070324637 0.59709915726399 32.065 > 33 34 S 0.00000000000000 0.83900097164053 0.09167869418094 32.065 > 34 *35 S 0.00000000000000 0.73630112938075 0.54653293661361 32.065 > 35 36 S 0.50000000000000 0.83999171784730 0.35874032002345 32.065 > 36 37 S 0.00000000000000 0.24354683234402 0.34611493156308 32.065 > 37 38 S 0.00000000000000 0.50163423201591 0.25455886873332 32.065 > 38 39 S 0.50000000000000 0.03253416683328 0.47829955197571 32.065 > 39 40 S 0.00000000000000 0.26369887061925 0.04653293661361 32.065 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.616270929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 20.032534370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.426350299999998 Atomic positions (fractional): *1 Ho 0.00000000000000 0.89268291155018 0.86713872231893 164.930 > 1 2 Ho 0.33333333333333 0.89268291155018 0.86713872231893 164.930 > 1 3 Ho 0.66666666666667 0.89268291155018 0.86713872231893 164.930 > 1 4 Ho 0.00000000000000 0.10731708844982 0.36713872231893 164.930 > 2 5 Ho 0.33333333333333 0.10731708844982 0.36713872231893 164.930 > 2 6 Ho 0.66666666666667 0.10731708844982 0.36713872231893 164.930 > 2 *7 Ho 0.00000000000000 0.58811193415410 0.55123687454955 164.930 > 3 8 Ho 0.33333333333333 0.58811193415410 0.55123687454955 164.930 > 3 9 Ho 0.66666666666667 0.58811193415410 0.55123687454955 164.930 > 3 10 Ho 0.00000000000000 0.41188806584590 0.05123687454955 164.930 > 4 11 Ho 0.33333333333333 0.41188806584590 0.05123687454955 164.930 > 4 12 Ho 0.66666666666667 0.41188806584590 0.05123687454955 164.930 > 4 *13 Sn 0.16666666666667 0.08999995827064 0.67591592747843 118.710 > 5 14 Sn 0.50000000000000 0.08999995827064 0.67591592747843 118.710 > 5 15 Sn 0.83333333333333 0.08999995827064 0.67591592747843 118.710 > 5 *16 Sn 0.16666666666667 0.75006865730503 0.69239318562082 118.710 > 6 17 Sn 0.50000000000000 0.75006865730503 0.69239318562082 118.710 > 6 18 Sn 0.83333333333333 0.75006865730503 0.69239318562082 118.710 > 6 *19 Sn 0.16666666666667 0.57172272982487 0.20356186801051 118.710 > 7 20 Sn 0.50000000000000 0.57172272982487 0.20356186801051 118.710 > 7 21 Sn 0.83333333333333 0.57172272982487 0.20356186801051 118.710 > 7 22 Sn 0.16666666666667 0.24993134269497 0.19239318562082 118.710 > 8 23 Sn 0.50000000000000 0.24993134269497 0.19239318562082 118.710 > 8 24 Sn 0.83333333333333 0.24993134269497 0.19239318562082 118.710 > 8 25 Sn 0.16666666666667 0.42827727017513 0.70356186801051 118.710 > 9 26 Sn 0.50000000000000 0.42827727017513 0.70356186801051 118.710 > 9 27 Sn 0.83333333333333 0.42827727017513 0.70356186801051 118.710 > 9 28 Sn 0.16666666666667 0.91000004172936 0.17591592747844 118.710 > 10 29 Sn 0.50000000000000 0.91000004172936 0.17591592747844 118.710 > 10 30 Sn 0.83333333333333 0.91000004172936 0.17591592747844 118.710 > 10 *31 Pb 0.00000000000000 0.73805163974882 0.28614719507687 207.200 > 11 32 Pb 0.33333333333333 0.73805163974882 0.28614719507687 207.200 > 11 33 Pb 0.66666666666667 0.73805163974882 0.28614719507687 207.200 > 11 *34 Pb 0.00000000000000 0.08350911220653 0.99021696531039 207.200 > 12 35 Pb 0.33333333333333 0.08350911220653 0.99021696531039 207.200 > 12 36 Pb 0.66666666666667 0.08350911220653 0.99021696531039 207.200 > 12 37 Pb 0.00000000000000 0.91649088779346 0.49021696531039 207.200 > 13 38 Pb 0.33333333333333 0.91649088779346 0.49021696531039 207.200 > 13 39 Pb 0.66666666666667 0.91649088779346 0.49021696531039 207.200 > 13 40 Pb 0.00000000000000 0.26194836025118 0.78614719507687 207.200 > 14 41 Pb 0.33333333333333 0.26194836025118 0.78614719507687 207.200 > 14 42 Pb 0.66666666666667 0.26194836025118 0.78614719507687 207.200 > 14 *43 Pb 0.00000000000000 0.61945309541046 0.92435502478664 207.200 > 15 44 Pb 0.33333333333333 0.61945309541046 0.92435502478664 207.200 > 15 45 Pb 0.66666666666667 0.61945309541046 0.92435502478664 207.200 > 15 46 Pb 0.00000000000000 0.38054690458954 0.42435502478664 207.200 > 16 47 Pb 0.33333333333333 0.38054690458954 0.42435502478664 207.200 > 16 48 Pb 0.66666666666667 0.38054690458954 0.42435502478664 207.200 > 16 *49 S 0.16666666666667 0.36247206086235 0.89321230999595 32.065 > 17 50 S 0.50000000000000 0.36247206086235 0.89321230999595 32.065 > 17 51 S 0.83333333333333 0.36247206086235 0.89321230999595 32.065 > 17 *52 S 0.16666666666667 0.67734929675363 0.09709915726399 32.065 > 18 53 S 0.50000000000000 0.67734929675363 0.09709915726399 32.065 > 18 54 S 0.83333333333333 0.67734929675363 0.09709915726399 32.065 > 18 55 S 0.16666666666667 0.63752793913765 0.39321230999595 32.065 > 19 56 S 0.50000000000000 0.63752793913765 0.39321230999595 32.065 > 19 57 S 0.83333333333333 0.63752793913765 0.39321230999595 32.065 > 19 *58 S 0.16666666666667 0.37498485521104 0.21564704826913 32.065 > 20 59 S 0.50000000000000 0.37498485521104 0.21564704826913 32.065 > 20 60 S 0.83333333333333 0.37498485521104 0.21564704826913 32.065 > 20 *61 S 0.00000000000000 0.16099902835947 0.59167869418094 32.065 > 21 62 S 0.33333333333333 0.16099902835947 0.59167869418094 32.065 > 21 63 S 0.66666666666667 0.16099902835947 0.59167869418094 32.065 > 21 *64 S 0.16666666666667 0.87629740890519 0.69935433128783 32.065 > 22 65 S 0.50000000000000 0.87629740890519 0.69935433128783 32.065 > 22 66 S 0.83333333333333 0.87629740890519 0.69935433128783 32.065 > 22 *67 S 0.00000000000000 0.98296059898842 0.25716497675315 32.065 > 23 68 S 0.33333333333333 0.98296059898842 0.25716497675315 32.065 > 23 69 S 0.66666666666667 0.98296059898842 0.25716497675315 32.065 > 23 *70 S 0.16666666666667 0.16000828215270 0.85874032002345 32.065 > 24 71 S 0.50000000000000 0.16000828215270 0.85874032002345 32.065 > 24 72 S 0.83333333333333 0.16000828215270 0.85874032002345 32.065 > 24 73 S 0.00000000000000 0.01703940101158 0.75716497675315 32.065 > 25 74 S 0.33333333333333 0.01703940101158 0.75716497675315 32.065 > 25 75 S 0.66666666666667 0.01703940101158 0.75716497675315 32.065 > 25 *76 S 0.00000000000000 0.49836576798408 0.75455886873332 32.065 > 26 77 S 0.33333333333333 0.49836576798408 0.75455886873332 32.065 > 26 78 S 0.66666666666667 0.49836576798408 0.75455886873332 32.065 > 26 79 S 0.16666666666667 0.12370259109482 0.19935433128783 32.065 > 27 80 S 0.50000000000000 0.12370259109482 0.19935433128783 32.065 > 27 81 S 0.83333333333333 0.12370259109482 0.19935433128783 32.065 > 27 82 S 0.16666666666667 0.62501514478896 0.71564704826913 32.065 > 28 83 S 0.50000000000000 0.62501514478896 0.71564704826913 32.065 > 28 84 S 0.83333333333333 0.62501514478896 0.71564704826913 32.065 > 28 *85 S 0.16666666666667 0.96746583316672 0.97829955197571 32.065 > 29 86 S 0.50000000000000 0.96746583316672 0.97829955197571 32.065 > 29 87 S 0.83333333333333 0.96746583316672 0.97829955197571 32.065 > 29 *88 S 0.16666666666667 0.50921238818774 0.00983112018769 32.065 > 30 89 S 0.50000000000000 0.50921238818774 0.00983112018769 32.065 > 30 90 S 0.83333333333333 0.50921238818774 0.00983112018769 32.065 > 30 *91 S 0.00000000000000 0.75645316765598 0.84611493156308 32.065 > 31 92 S 0.33333333333333 0.75645316765598 0.84611493156308 32.065 > 31 93 S 0.66666666666667 0.75645316765598 0.84611493156308 32.065 > 31 94 S 0.16666666666667 0.49078761181226 0.50983112018769 32.065 > 32 95 S 0.50000000000000 0.49078761181226 0.50983112018769 32.065 > 32 96 S 0.83333333333333 0.49078761181226 0.50983112018769 32.065 > 32 97 S 0.16666666666667 0.32265070324637 0.59709915726399 32.065 > 33 98 S 0.50000000000000 0.32265070324637 0.59709915726399 32.065 > 33 99 S 0.83333333333333 0.32265070324637 0.59709915726399 32.065 > 33 100 S 0.00000000000000 0.83900097164053 0.09167869418094 32.065 > 34 101 S 0.33333333333333 0.83900097164053 0.09167869418094 32.065 > 34 102 S 0.66666666666667 0.83900097164053 0.09167869418094 32.065 > 34 *103 S 0.00000000000000 0.73630112938075 0.54653293661361 32.065 > 35 104 S 0.33333333333333 0.73630112938075 0.54653293661361 32.065 > 35 105 S 0.66666666666667 0.73630112938075 0.54653293661361 32.065 > 35 106 S 0.16666666666667 0.83999171784730 0.35874032002345 32.065 > 36 107 S 0.50000000000000 0.83999171784730 0.35874032002345 32.065 > 36 108 S 0.83333333333333 0.83999171784730 0.35874032002345 32.065 > 36 109 S 0.00000000000000 0.24354683234402 0.34611493156308 32.065 > 37 110 S 0.33333333333333 0.24354683234402 0.34611493156308 32.065 > 37 111 S 0.66666666666667 0.24354683234402 0.34611493156308 32.065 > 37 112 S 0.00000000000000 0.50163423201591 0.25455886873332 32.065 > 38 113 S 0.33333333333333 0.50163423201591 0.25455886873332 32.065 > 38 114 S 0.66666666666667 0.50163423201591 0.25455886873332 32.065 > 38 115 S 0.16666666666667 0.03253416683328 0.47829955197571 32.065 > 39 116 S 0.50000000000000 0.03253416683328 0.47829955197571 32.065 > 39 117 S 0.83333333333333 0.03253416683328 0.47829955197571 32.065 > 39 118 S 0.00000000000000 0.26369887061925 0.04653293661361 32.065 > 40 119 S 0.33333333333333 0.26369887061925 0.04653293661361 32.065 > 40 120 S 0.66666666666667 0.26369887061925 0.04653293661361 32.065 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.6719065 0.0000000 0.0000000 0.0000000 11.3378874 0.0000000 0.0000000 0.0000000 11.8176641 -------------------------- Born effective charges -------------------------- 1 Ho 3.3040643 0.0000000 0.0000000 0.0000000 4.4065364 1.1617290 0.0000000 0.6738368 4.3557031 2 Ho 3.3040643 0.0000000 0.0000000 0.0000000 4.4065364 -1.1617290 0.0000000 -0.6738368 4.3557031 3 Ho 4.2578592 0.0000000 0.0000000 0.0000000 3.6195031 -0.1621170 0.0000000 -0.2808546 3.5593945 4 Ho 4.2578592 0.0000000 0.0000000 0.0000000 3.6195031 0.1621170 0.0000000 0.2808546 3.5593945 5 Sn 5.3069790 0.0000000 0.0000000 0.0000000 3.6684391 0.5374079 0.0000000 0.2557515 4.4249032 6 Sn 5.2926798 0.0000000 0.0000000 0.0000000 4.2484217 0.0293478 0.0000000 -0.2058416 3.6082457 7 Sn 3.3834872 0.0000000 0.0000000 0.0000000 3.5516823 0.8000238 0.0000000 0.4735949 4.0675753 8 Sn 5.2926798 0.0000000 0.0000000 0.0000000 4.2484217 -0.0293478 0.0000000 0.2058416 3.6082457 9 Sn 3.3834872 0.0000000 0.0000000 0.0000000 3.5516823 -0.8000238 0.0000000 -0.4735949 4.0675753 10 Sn 5.3069790 0.0000000 0.0000000 0.0000000 3.6684391 -0.5374079 0.0000000 -0.2557515 4.4249032 11 Pb 4.1521062 0.0000000 0.0000000 0.0000000 4.6520048 0.0768475 0.0000000 -0.1812740 4.3591705 12 Pb 4.2303935 0.0000000 0.0000000 0.0000000 3.8480440 0.1343958 0.0000000 -0.2048892 4.0741842 13 Pb 4.2303935 0.0000000 0.0000000 0.0000000 3.8480440 -0.1343958 0.0000000 0.2048892 4.0741842 14 Pb 4.1521062 0.0000000 0.0000000 0.0000000 4.6520048 -0.0768475 0.0000000 0.1812740 4.3591705 15 Pb 3.9347098 0.0000000 0.0000000 0.0000000 3.8863236 -0.0453698 0.0000000 -0.2912993 4.5151538 16 Pb 3.9347098 0.0000000 0.0000000 0.0000000 3.8863236 0.0453698 0.0000000 0.2912993 4.5151538 17 S -2.8653976 0.0000000 0.0000000 0.0000000 -2.5862283 -0.3874221 0.0000000 -0.2923590 -3.3265192 18 S -2.8127504 0.0000000 0.0000000 0.0000000 -2.3865415 -0.9179256 0.0000000 -0.9178463 -3.6713527 19 S -2.8653976 0.0000000 0.0000000 0.0000000 -2.5862283 0.3874221 0.0000000 0.2923590 -3.3265192 20 S -3.0109892 0.0000000 0.0000000 0.0000000 -2.1622044 0.1932755 0.0000000 -0.0957435 -3.3145863 21 S -2.6232353 0.0000000 0.0000000 0.0000000 -2.1907837 -0.7237547 0.0000000 -0.9519088 -3.0707888 22 S -2.6800575 0.0000000 0.0000000 0.0000000 -2.5268738 -0.3628487 0.0000000 -0.2737515 -3.1658017 23 S -2.9443799 0.0000000 0.0000000 0.0000000 -2.9788833 -0.1204797 0.0000000 -0.4334997 -2.7266028 24 S -3.4211319 0.0000000 0.0000000 0.0000000 -3.4105530 0.9912103 0.0000000 0.7631494 -2.1956290 25 S -2.9443799 0.0000000 0.0000000 0.0000000 -2.9788833 0.1204797 0.0000000 0.4334997 -2.7266028 26 S -2.5791818 0.0000000 0.0000000 0.0000000 -1.7622093 0.1474153 0.0000000 0.0563467 -1.6006922 27 S -2.6800575 0.0000000 0.0000000 0.0000000 -2.5268738 0.3628487 0.0000000 0.2737515 -3.1658017 28 S -3.0109892 0.0000000 0.0000000 0.0000000 -2.1622044 -0.1932755 0.0000000 0.0957435 -3.3145863 29 S -2.8601689 0.0000000 0.0000000 0.0000000 -3.0155169 -0.4075181 0.0000000 0.0891348 -2.7977168 30 S -2.6338607 0.0000000 0.0000000 0.0000000 -3.2042254 0.2377316 0.0000000 0.3515180 -2.1024682 31 S -2.4510319 0.0000000 0.0000000 0.0000000 -3.5904327 0.0098800 0.0000000 0.4741876 -2.1474793 32 S -2.6338607 0.0000000 0.0000000 0.0000000 -3.2042254 -0.2377316 0.0000000 -0.3515180 -2.1024682 33 S -2.8127504 0.0000000 0.0000000 0.0000000 -2.3865415 0.9179256 0.0000000 0.9178463 -3.6713527 34 S -2.6232353 0.0000000 0.0000000 0.0000000 -2.1907837 0.7237547 0.0000000 0.9519088 -3.0707888 35 S -2.9800940 0.0000000 0.0000000 0.0000000 -2.0665026 -0.0175223 0.0000000 0.1793192 -2.8446931 36 S -3.4211319 0.0000000 0.0000000 0.0000000 -3.4105530 -0.9912103 0.0000000 -0.7631494 -2.1956290 37 S -2.4510319 0.0000000 0.0000000 0.0000000 -3.5904327 -0.0098800 0.0000000 -0.4741876 -2.1474793 38 S -2.5791818 0.0000000 0.0000000 0.0000000 -1.7622093 -0.1474153 0.0000000 -0.0563467 -1.6006922 39 S -2.8601689 0.0000000 0.0000000 0.0000000 -3.0155169 0.4075181 0.0000000 -0.0891348 -2.7977168 40 S -2.9800940 0.0000000 0.0000000 0.0000000 -2.0665026 0.0175223 0.0000000 -0.1793192 -2.8446931 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 21900/21900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5720 Number of blocks in projector: 5720 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: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 210 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1600 / 1600 (1) 84 eigenvectors found. (1) Complementary block size: 132 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 321 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 321 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 321 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 800 / 800 (1) 300 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 800 / 800 (1) 300 eigenvectors found. Tree of FC basis block matrices: - (5720, 5620), data: False |-- (800, 800), data: False |-- (300, 300), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (800, 800), data: False |-- (300, 300), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (840, 820), data: False |-- (840, 19), data: (840, 39) @ (39, 19) |-- (340, 321), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 19), data: (840, 39) @ (39, 19) |-- (340, 321), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 19), data: (840, 39) @ (39, 19) |-- (340, 321), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (1600, 1560), data: False |-- (1600, 92), data: (1600, 132) @ (132, 92) |-- (100, 84), data: True |-- (500, 464), data: False |-- (500, 28), data: (500, 64) @ (64, 28) |-- (250, 222), data: True |-- (250, 214), data: True |-- (500, 460), data: False |-- (500, 26), data: (500, 66) @ (66, 26) |-- (250, 210), data: True |-- (250, 224), data: True |-- (500, 460), data: False |-- (500, 34), data: (500, 74) @ (74, 34) |-- (250, 216), data: True |-- (250, 210), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1200 - Time: 3.016 Solver_block: 200 / 1200 - Time: 3.007 Solver_block: 300 / 1200 - Time: 2.950 Solver_block: 400 / 1200 - Time: 2.864 Solver_block: 500 / 1200 - Time: 2.850 Solver_block: 600 / 1200 - Time: 3.107 Solver_block: 700 / 1200 - Time: 3.053 Solver_block: 800 / 1200 - Time: 2.829 Solver_block: 900 / 1200 - Time: 2.936 Solver_block: 1000 / 1200 - Time: 2.734 Solver_block: 1100 / 1200 - Time: 2.666 Solver_block: 1200 / 1200 - Time: 2.626 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 35.763 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 21900/21900 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5720 Number of blocks in projector: 5720 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: 1600 Use submatrix version of eigh solver. (1) Block: 500 / 1600 (2) Block: 250 / 500 (2) 210 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1000 / 1600 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 460 eigenvectors found. (1) Block: 1500 / 1600 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1600 / 1600 (1) 84 eigenvectors found. (1) Complementary block size: 132 (1) Compute compressed projector. (1) Use standard solver. (1) 92 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 321 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 321 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 840 / 840 (1) 321 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 800 / 800 (1) 300 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 800 / 800 (1) 300 eigenvectors found. Tree of FC basis block matrices: - (5720, 5620), data: False |-- (800, 800), data: False |-- (300, 300), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (800, 800), data: False |-- (300, 300), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (840, 820), data: False |-- (840, 19), data: (840, 39) @ (39, 19) |-- (340, 321), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 19), data: (840, 39) @ (39, 19) |-- (340, 321), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (840, 820), data: False |-- (840, 19), data: (840, 39) @ (39, 19) |-- (340, 321), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (1600, 1560), data: False |-- (1600, 92), data: (1600, 132) @ (132, 92) |-- (100, 84), data: True |-- (500, 464), data: False |-- (500, 28), data: (500, 64) @ (64, 28) |-- (250, 222), data: True |-- (250, 214), data: True |-- (500, 460), data: False |-- (500, 26), data: (500, 66) @ (66, 26) |-- (250, 210), data: True |-- (250, 224), data: True |-- (500, 460), data: False |-- (500, 34), data: (500, 74) @ (74, 34) |-- (250, 216), data: True |-- (250, 210), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 14:56:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:56:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.872090309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 20.032534370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.426350299999998 Atomic positions (fractional): 1 Ho 0.00000000000000 0.89268291155018 0.86713872231893 164.930 2 Ho 0.00000000000000 0.10731708844982 0.36713872231893 164.930 3 Ho 0.00000000000000 0.58811193415410 0.55123687454955 164.930 4 Ho 0.00000000000000 0.41188806584590 0.05123687454955 164.930 5 Sn 0.50000000000000 0.08999995827064 0.67591592747843 118.710 6 Sn 0.50000000000000 0.75006865730503 0.69239318562082 118.710 7 Sn 0.50000000000000 0.57172272982487 0.20356186801051 118.710 8 Sn 0.50000000000000 0.24993134269497 0.19239318562082 118.710 9 Sn 0.50000000000000 0.42827727017513 0.70356186801051 118.710 10 Sn 0.50000000000000 0.91000004172936 0.17591592747844 118.710 11 Pb 0.00000000000000 0.73805163974882 0.28614719507687 207.200 12 Pb 0.00000000000000 0.08350911220653 0.99021696531039 207.200 13 Pb 0.00000000000000 0.91649088779346 0.49021696531039 207.200 14 Pb 0.00000000000000 0.26194836025118 0.78614719507687 207.200 15 Pb 0.00000000000000 0.61945309541046 0.92435502478664 207.200 16 Pb 0.00000000000000 0.38054690458954 0.42435502478664 207.200 17 S 0.50000000000000 0.36247206086235 0.89321230999595 32.065 18 S 0.50000000000000 0.67734929675363 0.09709915726399 32.065 19 S 0.50000000000000 0.63752793913765 0.39321230999595 32.065 20 S 0.50000000000000 0.37498485521104 0.21564704826913 32.065 21 S 0.00000000000000 0.16099902835947 0.59167869418094 32.065 22 S 0.50000000000000 0.87629740890519 0.69935433128783 32.065 23 S 0.00000000000000 0.98296059898842 0.25716497675315 32.065 24 S 0.50000000000000 0.16000828215270 0.85874032002345 32.065 25 S 0.00000000000000 0.01703940101158 0.75716497675315 32.065 26 S 0.00000000000000 0.49836576798408 0.75455886873332 32.065 27 S 0.50000000000000 0.12370259109482 0.19935433128783 32.065 28 S 0.50000000000000 0.62501514478896 0.71564704826913 32.065 29 S 0.50000000000000 0.96746583316672 0.97829955197571 32.065 30 S 0.50000000000000 0.50921238818774 0.00983112018769 32.065 31 S 0.00000000000000 0.75645316765598 0.84611493156308 32.065 32 S 0.50000000000000 0.49078761181226 0.50983112018769 32.065 33 S 0.50000000000000 0.32265070324637 0.59709915726399 32.065 34 S 0.00000000000000 0.83900097164053 0.09167869418094 32.065 35 S 0.00000000000000 0.73630112938075 0.54653293661361 32.065 36 S 0.50000000000000 0.83999171784730 0.35874032002345 32.065 37 S 0.00000000000000 0.24354683234402 0.34611493156308 32.065 38 S 0.00000000000000 0.50163423201591 0.25455886873332 32.065 39 S 0.50000000000000 0.03253416683328 0.47829955197571 32.065 40 S 0.00000000000000 0.26369887061925 0.04653293661361 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.616270929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 20.032534370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.426350299999998 Atomic positions (fractional): 1 Ho 0.00000000000000 0.89268291155018 0.86713872231893 164.930 > 1 2 Ho 0.33333333333333 0.89268291155018 0.86713872231893 164.930 > 1 3 Ho 0.66666666666667 0.89268291155018 0.86713872231893 164.930 > 1 4 Ho 0.00000000000000 0.10731708844982 0.36713872231893 164.930 > 4 5 Ho 0.33333333333333 0.10731708844982 0.36713872231893 164.930 > 4 6 Ho 0.66666666666667 0.10731708844982 0.36713872231893 164.930 > 4 7 Ho 0.00000000000000 0.58811193415410 0.55123687454955 164.930 > 7 8 Ho 0.33333333333333 0.58811193415410 0.55123687454955 164.930 > 7 9 Ho 0.66666666666667 0.58811193415410 0.55123687454955 164.930 > 7 10 Ho 0.00000000000000 0.41188806584590 0.05123687454955 164.930 > 10 11 Ho 0.33333333333333 0.41188806584590 0.05123687454955 164.930 > 10 12 Ho 0.66666666666667 0.41188806584590 0.05123687454955 164.930 > 10 13 Sn 0.16666666666667 0.08999995827064 0.67591592747843 118.710 > 13 14 Sn 0.50000000000000 0.08999995827064 0.67591592747843 118.710 > 13 15 Sn 0.83333333333333 0.08999995827064 0.67591592747843 118.710 > 13 16 Sn 0.16666666666667 0.75006865730503 0.69239318562082 118.710 > 16 17 Sn 0.50000000000000 0.75006865730503 0.69239318562082 118.710 > 16 18 Sn 0.83333333333333 0.75006865730503 0.69239318562082 118.710 > 16 19 Sn 0.16666666666667 0.57172272982487 0.20356186801051 118.710 > 19 20 Sn 0.50000000000000 0.57172272982487 0.20356186801051 118.710 > 19 21 Sn 0.83333333333333 0.57172272982487 0.20356186801051 118.710 > 19 22 Sn 0.16666666666667 0.24993134269497 0.19239318562082 118.710 > 22 23 Sn 0.50000000000000 0.24993134269497 0.19239318562082 118.710 > 22 24 Sn 0.83333333333333 0.24993134269497 0.19239318562082 118.710 > 22 25 Sn 0.16666666666667 0.42827727017513 0.70356186801051 118.710 > 25 26 Sn 0.50000000000000 0.42827727017513 0.70356186801051 118.710 > 25 27 Sn 0.83333333333333 0.42827727017513 0.70356186801051 118.710 > 25 28 Sn 0.16666666666667 0.91000004172936 0.17591592747844 118.710 > 28 29 Sn 0.50000000000000 0.91000004172936 0.17591592747844 118.710 > 28 30 Sn 0.83333333333333 0.91000004172936 0.17591592747844 118.710 > 28 31 Pb 0.00000000000000 0.73805163974882 0.28614719507687 207.200 > 31 32 Pb 0.33333333333333 0.73805163974882 0.28614719507687 207.200 > 31 33 Pb 0.66666666666667 0.73805163974882 0.28614719507687 207.200 > 31 34 Pb 0.00000000000000 0.08350911220653 0.99021696531039 207.200 > 34 35 Pb 0.33333333333333 0.08350911220653 0.99021696531039 207.200 > 34 36 Pb 0.66666666666667 0.08350911220653 0.99021696531039 207.200 > 34 37 Pb 0.00000000000000 0.91649088779346 0.49021696531039 207.200 > 37 38 Pb 0.33333333333333 0.91649088779346 0.49021696531039 207.200 > 37 39 Pb 0.66666666666667 0.91649088779346 0.49021696531039 207.200 > 37 40 Pb 0.00000000000000 0.26194836025118 0.78614719507687 207.200 > 40 41 Pb 0.33333333333333 0.26194836025118 0.78614719507687 207.200 > 40 42 Pb 0.66666666666667 0.26194836025118 0.78614719507687 207.200 > 40 43 Pb 0.00000000000000 0.61945309541046 0.92435502478664 207.200 > 43 44 Pb 0.33333333333333 0.61945309541046 0.92435502478664 207.200 > 43 45 Pb 0.66666666666667 0.61945309541046 0.92435502478664 207.200 > 43 46 Pb 0.00000000000000 0.38054690458954 0.42435502478664 207.200 > 46 47 Pb 0.33333333333333 0.38054690458954 0.42435502478664 207.200 > 46 48 Pb 0.66666666666667 0.38054690458954 0.42435502478664 207.200 > 46 49 S 0.16666666666667 0.36247206086235 0.89321230999595 32.065 > 49 50 S 0.50000000000000 0.36247206086235 0.89321230999595 32.065 > 49 51 S 0.83333333333333 0.36247206086235 0.89321230999595 32.065 > 49 52 S 0.16666666666667 0.67734929675363 0.09709915726399 32.065 > 52 53 S 0.50000000000000 0.67734929675363 0.09709915726399 32.065 > 52 54 S 0.83333333333333 0.67734929675363 0.09709915726399 32.065 > 52 55 S 0.16666666666667 0.63752793913765 0.39321230999595 32.065 > 55 56 S 0.50000000000000 0.63752793913765 0.39321230999595 32.065 > 55 57 S 0.83333333333333 0.63752793913765 0.39321230999595 32.065 > 55 58 S 0.16666666666667 0.37498485521104 0.21564704826913 32.065 > 58 59 S 0.50000000000000 0.37498485521104 0.21564704826913 32.065 > 58 60 S 0.83333333333333 0.37498485521104 0.21564704826913 32.065 > 58 61 S 0.00000000000000 0.16099902835947 0.59167869418094 32.065 > 61 62 S 0.33333333333333 0.16099902835947 0.59167869418094 32.065 > 61 63 S 0.66666666666667 0.16099902835947 0.59167869418094 32.065 > 61 64 S 0.16666666666667 0.87629740890519 0.69935433128783 32.065 > 64 65 S 0.50000000000000 0.87629740890519 0.69935433128783 32.065 > 64 66 S 0.83333333333333 0.87629740890519 0.69935433128783 32.065 > 64 67 S 0.00000000000000 0.98296059898842 0.25716497675315 32.065 > 67 68 S 0.33333333333333 0.98296059898842 0.25716497675315 32.065 > 67 69 S 0.66666666666667 0.98296059898842 0.25716497675315 32.065 > 67 70 S 0.16666666666667 0.16000828215270 0.85874032002345 32.065 > 70 71 S 0.50000000000000 0.16000828215270 0.85874032002345 32.065 > 70 72 S 0.83333333333333 0.16000828215270 0.85874032002345 32.065 > 70 73 S 0.00000000000000 0.01703940101158 0.75716497675315 32.065 > 73 74 S 0.33333333333333 0.01703940101158 0.75716497675315 32.065 > 73 75 S 0.66666666666667 0.01703940101158 0.75716497675315 32.065 > 73 76 S 0.00000000000000 0.49836576798408 0.75455886873332 32.065 > 76 77 S 0.33333333333333 0.49836576798408 0.75455886873332 32.065 > 76 78 S 0.66666666666667 0.49836576798408 0.75455886873332 32.065 > 76 79 S 0.16666666666667 0.12370259109482 0.19935433128783 32.065 > 79 80 S 0.50000000000000 0.12370259109482 0.19935433128783 32.065 > 79 81 S 0.83333333333333 0.12370259109482 0.19935433128783 32.065 > 79 82 S 0.16666666666667 0.62501514478896 0.71564704826913 32.065 > 82 83 S 0.50000000000000 0.62501514478896 0.71564704826913 32.065 > 82 84 S 0.83333333333333 0.62501514478896 0.71564704826913 32.065 > 82 85 S 0.16666666666667 0.96746583316672 0.97829955197571 32.065 > 85 86 S 0.50000000000000 0.96746583316672 0.97829955197571 32.065 > 85 87 S 0.83333333333333 0.96746583316672 0.97829955197571 32.065 > 85 88 S 0.16666666666667 0.50921238818774 0.00983112018769 32.065 > 88 89 S 0.50000000000000 0.50921238818774 0.00983112018769 32.065 > 88 90 S 0.83333333333333 0.50921238818774 0.00983112018769 32.065 > 88 91 S 0.00000000000000 0.75645316765598 0.84611493156308 32.065 > 91 92 S 0.33333333333333 0.75645316765598 0.84611493156308 32.065 > 91 93 S 0.66666666666667 0.75645316765598 0.84611493156308 32.065 > 91 94 S 0.16666666666667 0.49078761181226 0.50983112018769 32.065 > 94 95 S 0.50000000000000 0.49078761181226 0.50983112018769 32.065 > 94 96 S 0.83333333333333 0.49078761181226 0.50983112018769 32.065 > 94 97 S 0.16666666666667 0.32265070324637 0.59709915726399 32.065 > 97 98 S 0.50000000000000 0.32265070324637 0.59709915726399 32.065 > 97 99 S 0.83333333333333 0.32265070324637 0.59709915726399 32.065 > 97 100 S 0.00000000000000 0.83900097164053 0.09167869418094 32.065 > 100 101 S 0.33333333333333 0.83900097164053 0.09167869418094 32.065 > 100 102 S 0.66666666666667 0.83900097164053 0.09167869418094 32.065 > 100 103 S 0.00000000000000 0.73630112938075 0.54653293661361 32.065 > 103 104 S 0.33333333333333 0.73630112938075 0.54653293661361 32.065 > 103 105 S 0.66666666666667 0.73630112938075 0.54653293661361 32.065 > 103 106 S 0.16666666666667 0.83999171784730 0.35874032002345 32.065 > 106 107 S 0.50000000000000 0.83999171784730 0.35874032002345 32.065 > 106 108 S 0.83333333333333 0.83999171784730 0.35874032002345 32.065 > 106 109 S 0.00000000000000 0.24354683234402 0.34611493156308 32.065 > 109 110 S 0.33333333333333 0.24354683234402 0.34611493156308 32.065 > 109 111 S 0.66666666666667 0.24354683234402 0.34611493156308 32.065 > 109 112 S 0.00000000000000 0.50163423201591 0.25455886873332 32.065 > 112 113 S 0.33333333333333 0.50163423201591 0.25455886873332 32.065 > 112 114 S 0.66666666666667 0.50163423201591 0.25455886873332 32.065 > 112 115 S 0.16666666666667 0.03253416683328 0.47829955197571 32.065 > 115 116 S 0.50000000000000 0.03253416683328 0.47829955197571 32.065 > 115 117 S 0.83333333333333 0.03253416683328 0.47829955197571 32.065 > 115 118 S 0.00000000000000 0.26369887061925 0.04653293661361 32.065 > 118 119 S 0.33333333333333 0.26369887061925 0.04653293661361 32.065 > 118 120 S 0.66666666666667 0.26369887061925 0.04653293661361 32.065 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.6719065 0.0000000 0.0000000 0.0000000 11.3378874 0.0000000 0.0000000 0.0000000 11.8176641 -------------------------- Born effective charges -------------------------- 1 Ho 3.3040643 0.0000000 0.0000000 0.0000000 4.4065364 1.1617290 0.0000000 0.6738368 4.3557031 2 Ho 3.3040643 0.0000000 0.0000000 0.0000000 4.4065364 -1.1617290 0.0000000 -0.6738368 4.3557031 3 Ho 4.2578592 0.0000000 0.0000000 0.0000000 3.6195031 -0.1621170 0.0000000 -0.2808546 3.5593945 4 Ho 4.2578592 0.0000000 0.0000000 0.0000000 3.6195031 0.1621170 0.0000000 0.2808546 3.5593945 5 Sn 5.3069790 0.0000000 0.0000000 0.0000000 3.6684391 0.5374079 0.0000000 0.2557515 4.4249032 6 Sn 5.2926798 0.0000000 0.0000000 0.0000000 4.2484217 0.0293478 0.0000000 -0.2058416 3.6082457 7 Sn 3.3834872 0.0000000 0.0000000 0.0000000 3.5516823 0.8000238 0.0000000 0.4735949 4.0675753 8 Sn 5.2926798 0.0000000 0.0000000 0.0000000 4.2484217 -0.0293478 0.0000000 0.2058416 3.6082457 9 Sn 3.3834872 0.0000000 0.0000000 0.0000000 3.5516823 -0.8000238 0.0000000 -0.4735949 4.0675753 10 Sn 5.3069790 0.0000000 0.0000000 0.0000000 3.6684391 -0.5374079 0.0000000 -0.2557515 4.4249032 11 Pb 4.1521062 0.0000000 0.0000000 0.0000000 4.6520048 0.0768475 0.0000000 -0.1812740 4.3591705 12 Pb 4.2303935 0.0000000 0.0000000 0.0000000 3.8480440 0.1343958 0.0000000 -0.2048892 4.0741842 13 Pb 4.2303935 0.0000000 0.0000000 0.0000000 3.8480440 -0.1343958 0.0000000 0.2048892 4.0741842 14 Pb 4.1521062 0.0000000 0.0000000 0.0000000 4.6520048 -0.0768475 0.0000000 0.1812740 4.3591705 15 Pb 3.9347098 0.0000000 0.0000000 0.0000000 3.8863236 -0.0453698 0.0000000 -0.2912993 4.5151538 16 Pb 3.9347098 0.0000000 0.0000000 0.0000000 3.8863236 0.0453698 0.0000000 0.2912993 4.5151538 17 S -2.8653976 0.0000000 0.0000000 0.0000000 -2.5862283 -0.3874221 0.0000000 -0.2923590 -3.3265192 18 S -2.8127504 0.0000000 0.0000000 0.0000000 -2.3865415 -0.9179256 0.0000000 -0.9178463 -3.6713527 19 S -2.8653976 0.0000000 0.0000000 0.0000000 -2.5862283 0.3874221 0.0000000 0.2923590 -3.3265192 20 S -3.0109892 0.0000000 0.0000000 0.0000000 -2.1622044 0.1932755 0.0000000 -0.0957435 -3.3145863 21 S -2.6232353 0.0000000 0.0000000 0.0000000 -2.1907837 -0.7237547 0.0000000 -0.9519088 -3.0707888 22 S -2.6800575 0.0000000 0.0000000 0.0000000 -2.5268738 -0.3628487 0.0000000 -0.2737515 -3.1658017 23 S -2.9443799 0.0000000 0.0000000 0.0000000 -2.9788833 -0.1204797 0.0000000 -0.4334997 -2.7266028 24 S -3.4211319 0.0000000 0.0000000 0.0000000 -3.4105530 0.9912103 0.0000000 0.7631494 -2.1956290 25 S -2.9443799 0.0000000 0.0000000 0.0000000 -2.9788833 0.1204797 0.0000000 0.4334997 -2.7266028 26 S -2.5791818 0.0000000 0.0000000 0.0000000 -1.7622093 0.1474153 0.0000000 0.0563467 -1.6006922 27 S -2.6800575 0.0000000 0.0000000 0.0000000 -2.5268738 0.3628487 0.0000000 0.2737515 -3.1658017 28 S -3.0109892 0.0000000 0.0000000 0.0000000 -2.1622044 -0.1932755 0.0000000 0.0957435 -3.3145863 29 S -2.8601689 0.0000000 0.0000000 0.0000000 -3.0155169 -0.4075181 0.0000000 0.0891348 -2.7977168 30 S -2.6338607 0.0000000 0.0000000 0.0000000 -3.2042254 0.2377316 0.0000000 0.3515180 -2.1024682 31 S -2.4510319 0.0000000 0.0000000 0.0000000 -3.5904327 0.0098800 0.0000000 0.4741876 -2.1474793 32 S -2.6338607 0.0000000 0.0000000 0.0000000 -3.2042254 -0.2377316 0.0000000 -0.3515180 -2.1024682 33 S -2.8127504 0.0000000 0.0000000 0.0000000 -2.3865415 0.9179256 0.0000000 0.9178463 -3.6713527 34 S -2.6232353 0.0000000 0.0000000 0.0000000 -2.1907837 0.7237547 0.0000000 0.9519088 -3.0707888 35 S -2.9800940 0.0000000 0.0000000 0.0000000 -2.0665026 -0.0175223 0.0000000 0.1793192 -2.8446931 36 S -3.4211319 0.0000000 0.0000000 0.0000000 -3.4105530 -0.9912103 0.0000000 -0.7631494 -2.1956290 37 S -2.4510319 0.0000000 0.0000000 0.0000000 -3.5904327 -0.0098800 0.0000000 -0.4741876 -2.1474793 38 S -2.5791818 0.0000000 0.0000000 0.0000000 -1.7622093 -0.1474153 0.0000000 -0.0563467 -1.6006922 39 S -2.8601689 0.0000000 0.0000000 0.0000000 -3.0155169 0.4075181 0.0000000 -0.0891348 -2.7977168 40 S -2.9800940 0.0000000 0.0000000 0.0000000 -2.0665026 0.0175223 0.0000000 -0.1793192 -2.8446931 ---------------------------------------------------------------------------- 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[ 7, 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[ 13, 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[ 16, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, 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[ 31, 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[ 34, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 52, 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[ 58, 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[ 61, 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[ 64, 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[ 67, 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[ 70, 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[ 76, 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[ 85, 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[ 88, 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[ 91, 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[ 103, 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:58:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:58:13]------------------------- 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): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.872090309999999 0.000000000000000 0.000000000000000 b 0.000000000000000 20.032534370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.426350299999998 Atomic positions (fractional): 1 Ho 0.00000000000000 0.89268291155018 0.86713872231893 164.930 2 Ho 0.00000000000000 0.10731708844982 0.36713872231893 164.930 3 Ho 0.00000000000000 0.58811193415410 0.55123687454955 164.930 4 Ho 0.00000000000000 0.41188806584590 0.05123687454955 164.930 5 Sn 0.50000000000000 0.08999995827064 0.67591592747843 118.710 6 Sn 0.50000000000000 0.75006865730503 0.69239318562082 118.710 7 Sn 0.50000000000000 0.57172272982487 0.20356186801051 118.710 8 Sn 0.50000000000000 0.24993134269497 0.19239318562082 118.710 9 Sn 0.50000000000000 0.42827727017513 0.70356186801051 118.710 10 Sn 0.50000000000000 0.91000004172936 0.17591592747844 118.710 11 Pb 0.00000000000000 0.73805163974882 0.28614719507687 207.200 12 Pb 0.00000000000000 0.08350911220653 0.99021696531039 207.200 13 Pb 0.00000000000000 0.91649088779346 0.49021696531039 207.200 14 Pb 0.00000000000000 0.26194836025118 0.78614719507687 207.200 15 Pb 0.00000000000000 0.61945309541046 0.92435502478664 207.200 16 Pb 0.00000000000000 0.38054690458954 0.42435502478664 207.200 17 S 0.50000000000000 0.36247206086235 0.89321230999595 32.065 18 S 0.50000000000000 0.67734929675363 0.09709915726399 32.065 19 S 0.50000000000000 0.63752793913765 0.39321230999595 32.065 20 S 0.50000000000000 0.37498485521104 0.21564704826913 32.065 21 S 0.00000000000000 0.16099902835947 0.59167869418094 32.065 22 S 0.50000000000000 0.87629740890519 0.69935433128783 32.065 23 S 0.00000000000000 0.98296059898842 0.25716497675315 32.065 24 S 0.50000000000000 0.16000828215270 0.85874032002345 32.065 25 S 0.00000000000000 0.01703940101158 0.75716497675315 32.065 26 S 0.00000000000000 0.49836576798408 0.75455886873332 32.065 27 S 0.50000000000000 0.12370259109482 0.19935433128783 32.065 28 S 0.50000000000000 0.62501514478896 0.71564704826913 32.065 29 S 0.50000000000000 0.96746583316672 0.97829955197571 32.065 30 S 0.50000000000000 0.50921238818774 0.00983112018769 32.065 31 S 0.00000000000000 0.75645316765598 0.84611493156308 32.065 32 S 0.50000000000000 0.49078761181226 0.50983112018769 32.065 33 S 0.50000000000000 0.32265070324637 0.59709915726399 32.065 34 S 0.00000000000000 0.83900097164053 0.09167869418094 32.065 35 S 0.00000000000000 0.73630112938075 0.54653293661361 32.065 36 S 0.50000000000000 0.83999171784730 0.35874032002345 32.065 37 S 0.00000000000000 0.24354683234402 0.34611493156308 32.065 38 S 0.00000000000000 0.50163423201591 0.25455886873332 32.065 39 S 0.50000000000000 0.03253416683328 0.47829955197571 32.065 40 S 0.00000000000000 0.26369887061925 0.04653293661361 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.616270929999997 0.000000000000000 0.000000000000000 b 0.000000000000000 20.032534370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.426350299999998 Atomic positions (fractional): 1 Ho 0.00000000000000 0.89268291155018 0.86713872231893 164.930 > 1 2 Ho 0.33333333333333 0.89268291155018 0.86713872231893 164.930 > 1 3 Ho 0.66666666666667 0.89268291155018 0.86713872231893 164.930 > 1 4 Ho 0.00000000000000 0.10731708844982 0.36713872231893 164.930 > 4 5 Ho 0.33333333333333 0.10731708844982 0.36713872231893 164.930 > 4 6 Ho 0.66666666666667 0.10731708844982 0.36713872231893 164.930 > 4 7 Ho 0.00000000000000 0.58811193415410 0.55123687454955 164.930 > 7 8 Ho 0.33333333333333 0.58811193415410 0.55123687454955 164.930 > 7 9 Ho 0.66666666666667 0.58811193415410 0.55123687454955 164.930 > 7 10 Ho 0.00000000000000 0.41188806584590 0.05123687454955 164.930 > 10 11 Ho 0.33333333333333 0.41188806584590 0.05123687454955 164.930 > 10 12 Ho 0.66666666666667 0.41188806584590 0.05123687454955 164.930 > 10 13 Sn 0.16666666666667 0.08999995827064 0.67591592747843 118.710 > 13 14 Sn 0.50000000000000 0.08999995827064 0.67591592747843 118.710 > 13 15 Sn 0.83333333333333 0.08999995827064 0.67591592747843 118.710 > 13 16 Sn 0.16666666666667 0.75006865730503 0.69239318562082 118.710 > 16 17 Sn 0.50000000000000 0.75006865730503 0.69239318562082 118.710 > 16 18 Sn 0.83333333333333 0.75006865730503 0.69239318562082 118.710 > 16 19 Sn 0.16666666666667 0.57172272982487 0.20356186801051 118.710 > 19 20 Sn 0.50000000000000 0.57172272982487 0.20356186801051 118.710 > 19 21 Sn 0.83333333333333 0.57172272982487 0.20356186801051 118.710 > 19 22 Sn 0.16666666666667 0.24993134269497 0.19239318562082 118.710 > 22 23 Sn 0.50000000000000 0.24993134269497 0.19239318562082 118.710 > 22 24 Sn 0.83333333333333 0.24993134269497 0.19239318562082 118.710 > 22 25 Sn 0.16666666666667 0.42827727017513 0.70356186801051 118.710 > 25 26 Sn 0.50000000000000 0.42827727017513 0.70356186801051 118.710 > 25 27 Sn 0.83333333333333 0.42827727017513 0.70356186801051 118.710 > 25 28 Sn 0.16666666666667 0.91000004172936 0.17591592747844 118.710 > 28 29 Sn 0.50000000000000 0.91000004172936 0.17591592747844 118.710 > 28 30 Sn 0.83333333333333 0.91000004172936 0.17591592747844 118.710 > 28 31 Pb 0.00000000000000 0.73805163974882 0.28614719507687 207.200 > 31 32 Pb 0.33333333333333 0.73805163974882 0.28614719507687 207.200 > 31 33 Pb 0.66666666666667 0.73805163974882 0.28614719507687 207.200 > 31 34 Pb 0.00000000000000 0.08350911220653 0.99021696531039 207.200 > 34 35 Pb 0.33333333333333 0.08350911220653 0.99021696531039 207.200 > 34 36 Pb 0.66666666666667 0.08350911220653 0.99021696531039 207.200 > 34 37 Pb 0.00000000000000 0.91649088779346 0.49021696531039 207.200 > 37 38 Pb 0.33333333333333 0.91649088779346 0.49021696531039 207.200 > 37 39 Pb 0.66666666666667 0.91649088779346 0.49021696531039 207.200 > 37 40 Pb 0.00000000000000 0.26194836025118 0.78614719507687 207.200 > 40 41 Pb 0.33333333333333 0.26194836025118 0.78614719507687 207.200 > 40 42 Pb 0.66666666666667 0.26194836025118 0.78614719507687 207.200 > 40 43 Pb 0.00000000000000 0.61945309541046 0.92435502478664 207.200 > 43 44 Pb 0.33333333333333 0.61945309541046 0.92435502478664 207.200 > 43 45 Pb 0.66666666666667 0.61945309541046 0.92435502478664 207.200 > 43 46 Pb 0.00000000000000 0.38054690458954 0.42435502478664 207.200 > 46 47 Pb 0.33333333333333 0.38054690458954 0.42435502478664 207.200 > 46 48 Pb 0.66666666666667 0.38054690458954 0.42435502478664 207.200 > 46 49 S 0.16666666666667 0.36247206086235 0.89321230999595 32.065 > 49 50 S 0.50000000000000 0.36247206086235 0.89321230999595 32.065 > 49 51 S 0.83333333333333 0.36247206086235 0.89321230999595 32.065 > 49 52 S 0.16666666666667 0.67734929675363 0.09709915726399 32.065 > 52 53 S 0.50000000000000 0.67734929675363 0.09709915726399 32.065 > 52 54 S 0.83333333333333 0.67734929675363 0.09709915726399 32.065 > 52 55 S 0.16666666666667 0.63752793913765 0.39321230999595 32.065 > 55 56 S 0.50000000000000 0.63752793913765 0.39321230999595 32.065 > 55 57 S 0.83333333333333 0.63752793913765 0.39321230999595 32.065 > 55 58 S 0.16666666666667 0.37498485521104 0.21564704826913 32.065 > 58 59 S 0.50000000000000 0.37498485521104 0.21564704826913 32.065 > 58 60 S 0.83333333333333 0.37498485521104 0.21564704826913 32.065 > 58 61 S 0.00000000000000 0.16099902835947 0.59167869418094 32.065 > 61 62 S 0.33333333333333 0.16099902835947 0.59167869418094 32.065 > 61 63 S 0.66666666666667 0.16099902835947 0.59167869418094 32.065 > 61 64 S 0.16666666666667 0.87629740890519 0.69935433128783 32.065 > 64 65 S 0.50000000000000 0.87629740890519 0.69935433128783 32.065 > 64 66 S 0.83333333333333 0.87629740890519 0.69935433128783 32.065 > 64 67 S 0.00000000000000 0.98296059898842 0.25716497675315 32.065 > 67 68 S 0.33333333333333 0.98296059898842 0.25716497675315 32.065 > 67 69 S 0.66666666666667 0.98296059898842 0.25716497675315 32.065 > 67 70 S 0.16666666666667 0.16000828215270 0.85874032002345 32.065 > 70 71 S 0.50000000000000 0.16000828215270 0.85874032002345 32.065 > 70 72 S 0.83333333333333 0.16000828215270 0.85874032002345 32.065 > 70 73 S 0.00000000000000 0.01703940101158 0.75716497675315 32.065 > 73 74 S 0.33333333333333 0.01703940101158 0.75716497675315 32.065 > 73 75 S 0.66666666666667 0.01703940101158 0.75716497675315 32.065 > 73 76 S 0.00000000000000 0.49836576798408 0.75455886873332 32.065 > 76 77 S 0.33333333333333 0.49836576798408 0.75455886873332 32.065 > 76 78 S 0.66666666666667 0.49836576798408 0.75455886873332 32.065 > 76 79 S 0.16666666666667 0.12370259109482 0.19935433128783 32.065 > 79 80 S 0.50000000000000 0.12370259109482 0.19935433128783 32.065 > 79 81 S 0.83333333333333 0.12370259109482 0.19935433128783 32.065 > 79 82 S 0.16666666666667 0.62501514478896 0.71564704826913 32.065 > 82 83 S 0.50000000000000 0.62501514478896 0.71564704826913 32.065 > 82 84 S 0.83333333333333 0.62501514478896 0.71564704826913 32.065 > 82 85 S 0.16666666666667 0.96746583316672 0.97829955197571 32.065 > 85 86 S 0.50000000000000 0.96746583316672 0.97829955197571 32.065 > 85 87 S 0.83333333333333 0.96746583316672 0.97829955197571 32.065 > 85 88 S 0.16666666666667 0.50921238818774 0.00983112018769 32.065 > 88 89 S 0.50000000000000 0.50921238818774 0.00983112018769 32.065 > 88 90 S 0.83333333333333 0.50921238818774 0.00983112018769 32.065 > 88 91 S 0.00000000000000 0.75645316765598 0.84611493156308 32.065 > 91 92 S 0.33333333333333 0.75645316765598 0.84611493156308 32.065 > 91 93 S 0.66666666666667 0.75645316765598 0.84611493156308 32.065 > 91 94 S 0.16666666666667 0.49078761181226 0.50983112018769 32.065 > 94 95 S 0.50000000000000 0.49078761181226 0.50983112018769 32.065 > 94 96 S 0.83333333333333 0.49078761181226 0.50983112018769 32.065 > 94 97 S 0.16666666666667 0.32265070324637 0.59709915726399 32.065 > 97 98 S 0.50000000000000 0.32265070324637 0.59709915726399 32.065 > 97 99 S 0.83333333333333 0.32265070324637 0.59709915726399 32.065 > 97 100 S 0.00000000000000 0.83900097164053 0.09167869418094 32.065 > 100 101 S 0.33333333333333 0.83900097164053 0.09167869418094 32.065 > 100 102 S 0.66666666666667 0.83900097164053 0.09167869418094 32.065 > 100 103 S 0.00000000000000 0.73630112938075 0.54653293661361 32.065 > 103 104 S 0.33333333333333 0.73630112938075 0.54653293661361 32.065 > 103 105 S 0.66666666666667 0.73630112938075 0.54653293661361 32.065 > 103 106 S 0.16666666666667 0.83999171784730 0.35874032002345 32.065 > 106 107 S 0.50000000000000 0.83999171784730 0.35874032002345 32.065 > 106 108 S 0.83333333333333 0.83999171784730 0.35874032002345 32.065 > 106 109 S 0.00000000000000 0.24354683234402 0.34611493156308 32.065 > 109 110 S 0.33333333333333 0.24354683234402 0.34611493156308 32.065 > 109 111 S 0.66666666666667 0.24354683234402 0.34611493156308 32.065 > 109 112 S 0.00000000000000 0.50163423201591 0.25455886873332 32.065 > 112 113 S 0.33333333333333 0.50163423201591 0.25455886873332 32.065 > 112 114 S 0.66666666666667 0.50163423201591 0.25455886873332 32.065 > 112 115 S 0.16666666666667 0.03253416683328 0.47829955197571 32.065 > 115 116 S 0.50000000000000 0.03253416683328 0.47829955197571 32.065 > 115 117 S 0.83333333333333 0.03253416683328 0.47829955197571 32.065 > 115 118 S 0.00000000000000 0.26369887061925 0.04653293661361 32.065 > 118 119 S 0.33333333333333 0.26369887061925 0.04653293661361 32.065 > 118 120 S 0.66666666666667 0.26369887061925 0.04653293661361 32.065 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.6719065 0.0000000 0.0000000 0.0000000 11.3378874 0.0000000 0.0000000 0.0000000 11.8176641 -------------------------- Born effective charges -------------------------- 1 Ho 3.3040643 0.0000000 0.0000000 0.0000000 4.4065364 1.1617290 0.0000000 0.6738368 4.3557031 2 Ho 3.3040643 0.0000000 0.0000000 0.0000000 4.4065364 -1.1617290 0.0000000 -0.6738368 4.3557031 3 Ho 4.2578592 0.0000000 0.0000000 0.0000000 3.6195031 -0.1621170 0.0000000 -0.2808546 3.5593945 4 Ho 4.2578592 0.0000000 0.0000000 0.0000000 3.6195031 0.1621170 0.0000000 0.2808546 3.5593945 5 Sn 5.3069790 0.0000000 0.0000000 0.0000000 3.6684391 0.5374079 0.0000000 0.2557515 4.4249032 6 Sn 5.2926798 0.0000000 0.0000000 0.0000000 4.2484217 0.0293478 0.0000000 -0.2058416 3.6082457 7 Sn 3.3834872 0.0000000 0.0000000 0.0000000 3.5516823 0.8000238 0.0000000 0.4735949 4.0675753 8 Sn 5.2926798 0.0000000 0.0000000 0.0000000 4.2484217 -0.0293478 0.0000000 0.2058416 3.6082457 9 Sn 3.3834872 0.0000000 0.0000000 0.0000000 3.5516823 -0.8000238 0.0000000 -0.4735949 4.0675753 10 Sn 5.3069790 0.0000000 0.0000000 0.0000000 3.6684391 -0.5374079 0.0000000 -0.2557515 4.4249032 11 Pb 4.1521062 0.0000000 0.0000000 0.0000000 4.6520048 0.0768475 0.0000000 -0.1812740 4.3591705 12 Pb 4.2303935 0.0000000 0.0000000 0.0000000 3.8480440 0.1343958 0.0000000 -0.2048892 4.0741842 13 Pb 4.2303935 0.0000000 0.0000000 0.0000000 3.8480440 -0.1343958 0.0000000 0.2048892 4.0741842 14 Pb 4.1521062 0.0000000 0.0000000 0.0000000 4.6520048 -0.0768475 0.0000000 0.1812740 4.3591705 15 Pb 3.9347098 0.0000000 0.0000000 0.0000000 3.8863236 -0.0453698 0.0000000 -0.2912993 4.5151538 16 Pb 3.9347098 0.0000000 0.0000000 0.0000000 3.8863236 0.0453698 0.0000000 0.2912993 4.5151538 17 S -2.8653976 0.0000000 0.0000000 0.0000000 -2.5862283 -0.3874221 0.0000000 -0.2923590 -3.3265192 18 S -2.8127504 0.0000000 0.0000000 0.0000000 -2.3865415 -0.9179256 0.0000000 -0.9178463 -3.6713527 19 S -2.8653976 0.0000000 0.0000000 0.0000000 -2.5862283 0.3874221 0.0000000 0.2923590 -3.3265192 20 S -3.0109892 0.0000000 0.0000000 0.0000000 -2.1622044 0.1932755 0.0000000 -0.0957435 -3.3145863 21 S -2.6232353 0.0000000 0.0000000 0.0000000 -2.1907837 -0.7237547 0.0000000 -0.9519088 -3.0707888 22 S -2.6800575 0.0000000 0.0000000 0.0000000 -2.5268738 -0.3628487 0.0000000 -0.2737515 -3.1658017 23 S -2.9443799 0.0000000 0.0000000 0.0000000 -2.9788833 -0.1204797 0.0000000 -0.4334997 -2.7266028 24 S -3.4211319 0.0000000 0.0000000 0.0000000 -3.4105530 0.9912103 0.0000000 0.7631494 -2.1956290 25 S -2.9443799 0.0000000 0.0000000 0.0000000 -2.9788833 0.1204797 0.0000000 0.4334997 -2.7266028 26 S -2.5791818 0.0000000 0.0000000 0.0000000 -1.7622093 0.1474153 0.0000000 0.0563467 -1.6006922 27 S -2.6800575 0.0000000 0.0000000 0.0000000 -2.5268738 0.3628487 0.0000000 0.2737515 -3.1658017 28 S -3.0109892 0.0000000 0.0000000 0.0000000 -2.1622044 -0.1932755 0.0000000 0.0957435 -3.3145863 29 S -2.8601689 0.0000000 0.0000000 0.0000000 -3.0155169 -0.4075181 0.0000000 0.0891348 -2.7977168 30 S -2.6338607 0.0000000 0.0000000 0.0000000 -3.2042254 0.2377316 0.0000000 0.3515180 -2.1024682 31 S -2.4510319 0.0000000 0.0000000 0.0000000 -3.5904327 0.0098800 0.0000000 0.4741876 -2.1474793 32 S -2.6338607 0.0000000 0.0000000 0.0000000 -3.2042254 -0.2377316 0.0000000 -0.3515180 -2.1024682 33 S -2.8127504 0.0000000 0.0000000 0.0000000 -2.3865415 0.9179256 0.0000000 0.9178463 -3.6713527 34 S -2.6232353 0.0000000 0.0000000 0.0000000 -2.1907837 0.7237547 0.0000000 0.9519088 -3.0707888 35 S -2.9800940 0.0000000 0.0000000 0.0000000 -2.0665026 -0.0175223 0.0000000 0.1793192 -2.8446931 36 S -3.4211319 0.0000000 0.0000000 0.0000000 -3.4105530 -0.9912103 0.0000000 -0.7631494 -2.1956290 37 S -2.4510319 0.0000000 0.0000000 0.0000000 -3.5904327 -0.0098800 0.0000000 -0.4741876 -2.1474793 38 S -2.5791818 0.0000000 0.0000000 0.0000000 -1.7622093 -0.1474153 0.0000000 -0.0563467 -1.6006922 39 S -2.8601689 0.0000000 0.0000000 0.0000000 -3.0155169 0.4075181 0.0000000 -0.0891348 -2.7977168 40 S -2.9800940 0.0000000 0.0000000 0.0000000 -2.0665026 0.0175223 0.0000000 -0.1793192 -2.8446931 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 13 2 4 ] 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: 0.43, Number of G-points: 287, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.876 ( 0.000 0.000 -0.000) 0.000 0.931 ( 0.000 0.000 -0.000) 0.000 0.935 ( 0.000 0.000 -0.000) 0.000 0.963 ( 0.000 0.000 -0.000) 0.000 1.071 ( 0.000 0.000 0.000) 0.000 1.092 ( 0.000 0.000 -0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 -0.000) 0.000 1.386 ( 0.000 0.000 -0.000) 0.000 1.387 ( 0.000 0.000 -0.000) 0.000 1.452 ( 0.000 0.000 0.000) 0.000 1.454 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.661 ( 0.000 0.000 -0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 0.000 -0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.105 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 -0.000) 0.000 2.674 ( 0.000 0.000 -0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 -0.000) 0.000 2.908 ( 0.000 0.000 -0.000) 0.000 2.913 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.619 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 -0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 -0.000) 0.000 4.284 ( 0.000 0.000 -0.000) 0.000 4.506 ( 0.000 0.000 -0.000) 0.000 4.540 ( 0.000 0.000 0.000) 0.000 4.675 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 4.960 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 -0.000) 0.000 5.349 ( 0.000 0.000 -0.000) 0.000 5.415 ( 0.000 0.000 -0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 -0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 -0.000) 0.000 5.998 ( 0.000 0.000 -0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 -0.000) 0.000 6.261 ( 0.000 0.000 -0.000) 0.000 6.333 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 -0.000) 0.000 6.482 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.695 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 -0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.146 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 -0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 -0.000) 0.000 7.450 ( 0.000 0.000 -0.000) 0.000 7.660 ( 0.000 0.000 0.000) 0.000 7.733 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 -0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 -0.000) 0.000 8.202 ( 0.000 0.000 -0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.613 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 -0.000) 0.000 8.768 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 8.787 ( 0.000 0.000 0.000) 0.000 8.868 ( 0.000 0.000 0.000) 0.000 8.873 ( 0.000 0.000 0.000) 0.000 8.964 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 -0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.299 ( 0.000 0.000 0.000) 0.000 9.309 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 -0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 19.457 0.000 0.000) 19.457 0.450 ( 21.681 0.000 0.000) 21.681 0.774 ( 36.720 0.000 0.000) 36.720 0.849 ( 0.523 0.000 0.000) 0.523 0.987 ( 3.643 0.000 0.000) 3.643 0.992 ( 2.446 0.000 0.000) 2.446 1.024 ( 6.516 0.000 0.000) 6.516 1.104 ( 3.277 0.000 0.000) 3.277 1.138 ( 5.963 0.000 0.000) 5.963 1.333 ( -1.498 0.000 0.000) 1.498 1.347 ( 1.731 0.000 0.000) 1.731 1.366 ( 2.076 0.000 0.000) 2.076 1.394 ( 3.963 0.000 0.000) 3.963 1.455 ( 1.063 0.000 0.000) 1.063 1.496 ( 3.843 0.000 0.000) 3.843 1.521 ( 6.193 0.000 0.000) 6.193 1.596 ( 10.402 0.000 0.000) 10.402 1.640 ( 1.658 0.000 0.000) 1.658 1.667 ( 3.973 0.000 0.000) 3.973 1.676 ( 0.862 0.000 0.000) 0.862 1.688 ( 10.599 0.000 0.000) 10.599 1.828 ( 10.685 0.000 0.000) 10.685 1.854 ( 5.331 0.000 0.000) 5.331 1.914 ( 8.890 0.000 0.000) 8.890 1.979 ( 4.477 0.000 0.000) 4.477 2.005 ( 7.368 0.000 0.000) 7.368 2.044 ( 5.765 0.000 0.000) 5.765 2.151 ( 8.934 0.000 0.000) 8.934 2.184 ( 10.990 0.000 0.000) 10.990 2.303 ( 11.352 0.000 0.000) 11.352 2.304 ( 14.395 0.000 0.000) 14.395 2.386 ( 5.743 0.000 0.000) 5.743 2.461 ( 2.650 0.000 0.000) 2.650 2.563 ( 9.268 0.000 0.000) 9.268 2.595 ( 1.716 0.000 0.000) 1.716 2.664 ( 0.360 0.000 0.000) 0.360 2.682 ( 0.908 0.000 0.000) 0.908 2.754 ( -0.160 0.000 0.000) 0.160 2.901 ( -1.024 0.000 0.000) 1.024 2.920 ( 1.666 0.000 0.000) 1.666 3.052 ( -0.838 0.000 0.000) 0.838 3.129 ( -3.021 0.000 0.000) 3.021 3.244 ( -0.641 0.000 0.000) 0.641 3.350 ( -2.637 0.000 0.000) 2.637 3.502 ( 0.886 0.000 0.000) 0.886 3.578 ( -3.078 0.000 0.000) 3.078 3.621 ( 8.972 0.000 0.000) 8.972 3.734 ( 0.881 0.000 0.000) 0.881 3.754 ( -2.576 0.000 0.000) 2.576 3.766 ( 4.925 0.000 0.000) 4.925 4.113 ( 2.241 0.000 0.000) 2.241 4.243 ( 0.340 0.000 0.000) 0.340 4.416 ( 11.432 0.000 0.000) 11.432 4.425 ( 6.852 0.000 0.000) 6.852 4.523 ( 3.194 0.000 0.000) 3.194 4.525 ( 3.801 0.000 0.000) 3.801 4.611 ( -5.192 0.000 0.000) 5.192 4.924 ( -0.101 0.000 0.000) 0.101 5.018 ( -6.170 0.000 0.000) 6.170 5.019 ( 2.789 0.000 0.000) 2.789 5.306 ( 2.572 0.000 0.000) 2.572 5.309 ( 8.634 0.000 0.000) 8.634 5.512 ( 7.545 0.000 0.000) 7.545 5.672 ( 6.715 0.000 0.000) 6.715 5.676 ( 11.697 0.000 0.000) 11.697 5.717 ( 0.473 0.000 0.000) 0.473 5.788 ( 0.638 0.000 0.000) 0.638 5.860 ( 2.208 0.000 0.000) 2.208 5.973 ( 4.003 0.000 0.000) 4.003 5.992 ( 0.569 0.000 0.000) 0.569 6.022 ( 6.831 0.000 0.000) 6.831 6.142 ( 5.984 0.000 0.000) 5.984 6.195 ( 4.601 0.000 0.000) 4.601 6.250 ( -0.268 0.000 0.000) 0.268 6.280 ( -1.760 0.000 0.000) 1.760 6.426 ( 5.321 0.000 0.000) 5.321 6.441 ( -2.156 0.000 0.000) 2.156 6.537 ( 3.553 0.000 0.000) 3.553 6.700 ( 0.110 0.000 0.000) 0.110 6.789 ( -7.652 0.000 0.000) 7.652 6.831 ( 4.923 0.000 0.000) 4.923 6.934 ( -3.589 0.000 0.000) 3.589 6.939 ( -5.795 0.000 0.000) 5.795 7.030 ( -5.732 0.000 0.000) 5.732 7.129 ( -1.655 0.000 0.000) 1.655 7.167 ( 2.007 0.000 0.000) 2.007 7.213 ( 2.312 0.000 0.000) 2.312 7.280 ( 2.088 0.000 0.000) 2.088 7.390 ( 5.324 0.000 0.000) 5.324 7.397 ( 1.250 0.000 0.000) 1.250 7.480 ( 3.257 0.000 0.000) 3.257 7.655 ( -0.343 0.000 0.000) 0.343 7.706 ( -2.409 0.000 0.000) 2.409 7.896 ( 1.036 0.000 0.000) 1.036 7.908 ( -4.079 0.000 0.000) 4.079 7.981 ( -1.553 0.000 0.000) 1.553 8.060 ( -5.991 0.000 0.000) 5.991 8.089 ( -3.278 0.000 0.000) 3.278 8.194 ( 0.071 0.000 0.000) 0.071 8.295 ( -0.122 0.000 0.000) 0.122 8.393 ( -5.173 0.000 0.000) 5.173 8.438 ( -5.205 0.000 0.000) 5.205 8.611 ( -0.454 0.000 0.000) 0.454 8.654 ( -0.808 0.000 0.000) 0.808 8.744 ( -3.439 0.000 0.000) 3.439 8.760 ( -0.927 0.000 0.000) 0.927 8.763 ( -2.843 0.000 0.000) 2.843 8.824 ( -2.868 0.000 0.000) 2.868 8.840 ( -2.940 0.000 0.000) 2.940 8.937 ( -2.594 0.000 0.000) 2.594 8.978 ( -2.980 0.000 0.000) 2.980 9.098 ( -1.530 0.000 0.000) 1.530 9.268 ( -2.827 0.000 0.000) 2.827 9.275 ( -3.272 0.000 0.000) 3.272 9.510 ( -2.804 0.000 0.000) 2.804 9.601 ( -5.311 0.000 0.000) 5.311 9.747 ( 8.300 0.000 0.000) 8.300 9.844 ( 4.626 0.000 0.000) 4.626 9.989 ( -3.924 0.000 0.000) 3.924 10.044 ( -6.016 0.000 0.000) 6.016 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 15.542 0.000 0.000) 15.542 0.818 ( 13.841 0.000 0.000) 13.841 0.946 ( 9.552 0.000 0.000) 9.552 1.052 ( 4.613 0.000 0.000) 4.613 1.081 ( 6.632 0.000 0.000) 6.632 1.151 ( 5.700 0.000 0.000) 5.700 1.187 ( 6.103 0.000 0.000) 6.103 1.279 ( 7.517 0.000 0.000) 7.517 1.317 ( 0.408 0.000 0.000) 0.408 1.366 ( 3.017 0.000 0.000) 3.017 1.439 ( 11.749 0.000 0.000) 11.749 1.464 ( 16.464 0.000 0.000) 16.464 1.482 ( 2.114 0.000 0.000) 2.114 1.517 ( 6.317 0.000 0.000) 6.317 1.578 ( 6.019 0.000 0.000) 6.019 1.657 ( 3.602 0.000 0.000) 3.602 1.694 ( 4.727 0.000 0.000) 4.727 1.697 ( 4.384 0.000 0.000) 4.384 1.781 ( 7.237 0.000 0.000) 7.237 1.842 ( 11.974 0.000 0.000) 11.974 1.912 ( 11.757 0.000 0.000) 11.757 1.935 ( 4.431 0.000 0.000) 4.431 1.995 ( 2.087 0.000 0.000) 2.087 2.013 ( 11.434 0.000 0.000) 11.434 2.158 ( 11.283 0.000 0.000) 11.283 2.231 ( 5.747 0.000 0.000) 5.747 2.310 ( 15.992 0.000 0.000) 15.992 2.369 ( 4.507 0.000 0.000) 4.507 2.394 ( 12.030 0.000 0.000) 12.030 2.415 ( 4.192 0.000 0.000) 4.192 2.593 ( 6.416 0.000 0.000) 6.416 2.606 ( 17.855 0.000 0.000) 17.855 2.609 ( 5.739 0.000 0.000) 5.739 2.657 ( 16.181 0.000 0.000) 16.181 2.740 ( 7.970 0.000 0.000) 7.970 2.764 ( 5.625 0.000 0.000) 5.625 2.832 ( 13.695 0.000 0.000) 13.695 2.841 ( 9.333 0.000 0.000) 9.333 2.889 ( 2.437 0.000 0.000) 2.437 3.000 ( 6.492 0.000 0.000) 6.492 3.082 ( -0.048 0.000 0.000) 0.048 3.085 ( 7.673 0.000 0.000) 7.673 3.259 ( 2.825 0.000 0.000) 2.825 3.296 ( -2.251 0.000 0.000) 2.251 3.490 ( 1.137 0.000 0.000) 1.137 3.516 ( -2.239 0.000 0.000) 2.239 3.659 ( -5.719 0.000 0.000) 5.719 3.676 ( -4.270 0.000 0.000) 4.270 3.891 ( 14.612 0.000 0.000) 14.612 3.962 ( 11.909 0.000 0.000) 11.909 4.210 ( 7.047 0.000 0.000) 7.047 4.265 ( 1.832 0.000 0.000) 1.832 4.390 ( -4.265 0.000 0.000) 4.265 4.485 ( -4.113 0.000 0.000) 4.113 4.526 ( 0.297 0.000 0.000) 0.297 4.751 ( 11.887 0.000 0.000) 11.887 4.777 ( 11.108 0.000 0.000) 11.108 4.930 ( 0.095 0.000 0.000) 0.095 4.943 ( 2.861 0.000 0.000) 2.861 5.000 ( -0.732 0.000 0.000) 0.732 5.464 ( 9.468 0.000 0.000) 9.468 5.504 ( 10.398 0.000 0.000) 10.398 5.615 ( 2.073 0.000 0.000) 2.073 5.733 ( 4.944 0.000 0.000) 4.944 5.810 ( 2.988 0.000 0.000) 2.988 5.863 ( -0.988 0.000 0.000) 0.988 5.873 ( 9.169 0.000 0.000) 9.169 5.910 ( 8.004 0.000 0.000) 8.004 6.049 ( 4.944 0.000 0.000) 4.944 6.074 ( 5.713 0.000 0.000) 5.713 6.159 ( 5.102 0.000 0.000) 5.102 6.239 ( -0.486 0.000 0.000) 0.486 6.266 ( 5.917 0.000 0.000) 5.917 6.272 ( 2.233 0.000 0.000) 2.233 6.327 ( 7.395 0.000 0.000) 7.395 6.416 ( -0.533 0.000 0.000) 0.533 6.519 ( 2.822 0.000 0.000) 2.822 6.590 ( -6.434 0.000 0.000) 6.434 6.638 ( 3.802 0.000 0.000) 3.802 6.670 ( -3.253 0.000 0.000) 3.253 6.841 ( -2.136 0.000 0.000) 2.136 6.857 ( -4.518 0.000 0.000) 4.518 6.956 ( -1.815 0.000 0.000) 1.815 6.978 ( 8.835 0.000 0.000) 8.835 7.071 ( -4.573 0.000 0.000) 4.573 7.212 ( 2.160 0.000 0.000) 2.160 7.250 ( 0.281 0.000 0.000) 0.281 7.317 ( 0.028 0.000 0.000) 0.028 7.364 ( -2.300 0.000 0.000) 2.300 7.467 ( 0.777 0.000 0.000) 0.777 7.509 ( -1.711 0.000 0.000) 1.711 7.662 ( 1.427 0.000 0.000) 1.427 7.672 ( 0.262 0.000 0.000) 0.262 7.811 ( -4.908 0.000 0.000) 4.908 7.879 ( -3.566 0.000 0.000) 3.566 7.931 ( -6.160 0.000 0.000) 6.160 7.945 ( -1.630 0.000 0.000) 1.630 7.996 ( -5.023 0.000 0.000) 5.023 8.217 ( 1.512 0.000 0.000) 1.512 8.244 ( -6.978 0.000 0.000) 6.978 8.298 ( -2.991 0.000 0.000) 2.991 8.306 ( -4.875 0.000 0.000) 4.875 8.578 ( -2.745 0.000 0.000) 2.745 8.638 ( -6.751 0.000 0.000) 6.751 8.649 ( -0.218 0.000 0.000) 0.218 8.689 ( -3.100 0.000 0.000) 3.100 8.746 ( -0.424 0.000 0.000) 0.424 8.767 ( -4.235 0.000 0.000) 4.235 8.797 ( -0.148 0.000 0.000) 0.148 8.881 ( -2.672 0.000 0.000) 2.672 8.925 ( -1.950 0.000 0.000) 1.950 9.060 ( -2.054 0.000 0.000) 2.054 9.190 ( -4.986 0.000 0.000) 4.986 9.197 ( -4.063 0.000 0.000) 4.063 9.444 ( -3.657 0.000 0.000) 3.657 9.469 ( -7.281 0.000 0.000) 7.281 9.829 ( -7.130 0.000 0.000) 7.130 9.881 ( -6.959 0.000 0.000) 6.959 9.939 ( 7.201 0.000 0.000) 7.201 9.998 ( 5.596 0.000 0.000) 5.596 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 7.672 0.000 0.000) 7.672 1.009 ( 5.938 0.000 0.000) 5.938 1.115 ( 5.511 0.000 0.000) 5.511 1.180 ( 1.226 0.000 0.000) 1.226 1.184 ( 6.800 0.000 0.000) 6.800 1.253 ( 5.507 0.000 0.000) 5.507 1.307 ( 5.647 0.000 0.000) 5.647 1.339 ( 2.522 0.000 0.000) 2.522 1.434 ( 6.860 0.000 0.000) 6.860 1.447 ( 1.969 0.000 0.000) 1.969 1.481 ( 3.500 0.000 0.000) 3.500 1.532 ( 2.897 0.000 0.000) 2.897 1.624 ( 5.430 0.000 0.000) 5.430 1.678 ( 6.221 0.000 0.000) 6.221 1.752 ( 6.849 0.000 0.000) 6.849 1.793 ( 3.497 0.000 0.000) 3.497 1.804 ( 7.176 0.000 0.000) 7.176 1.836 ( 10.692 0.000 0.000) 10.692 1.898 ( 5.029 0.000 0.000) 5.029 2.037 ( 7.902 0.000 0.000) 7.902 2.069 ( 6.735 0.000 0.000) 6.735 2.072 ( 7.086 0.000 0.000) 7.086 2.111 ( 8.362 0.000 0.000) 8.362 2.240 ( 0.022 0.000 0.000) 0.022 2.288 ( 0.694 0.000 0.000) 0.694 2.365 ( 15.007 0.000 0.000) 15.007 2.408 ( 4.461 0.000 0.000) 4.461 2.491 ( 8.349 0.000 0.000) 8.349 2.558 ( 4.260 0.000 0.000) 4.260 2.585 ( 5.702 0.000 0.000) 5.702 2.667 ( 4.391 0.000 0.000) 4.391 2.745 ( 3.841 0.000 0.000) 3.841 2.797 ( 0.665 0.000 0.000) 0.665 2.829 ( 1.993 0.000 0.000) 1.993 2.853 ( 4.417 0.000 0.000) 4.417 2.864 ( 0.682 0.000 0.000) 0.682 3.100 ( 12.920 0.000 0.000) 12.920 3.117 ( 19.246 0.000 0.000) 19.246 3.183 ( 19.749 0.000 0.000) 19.749 3.209 ( 11.112 0.000 0.000) 11.112 3.217 ( 13.896 0.000 0.000) 13.896 3.316 ( 6.971 0.000 0.000) 6.971 3.348 ( 9.169 0.000 0.000) 9.169 3.366 ( 13.311 0.000 0.000) 13.311 3.535 ( 0.541 0.000 0.000) 0.541 3.561 ( 1.069 0.000 0.000) 1.069 3.571 ( 5.324 0.000 0.000) 5.324 3.689 ( 12.919 0.000 0.000) 12.919 4.157 ( 10.705 0.000 0.000) 10.705 4.213 ( 12.840 0.000 0.000) 12.840 4.285 ( -2.015 0.000 0.000) 2.015 4.335 ( 1.982 0.000 0.000) 1.982 4.356 ( 6.885 0.000 0.000) 6.885 4.382 ( -5.083 0.000 0.000) 5.083 4.544 ( 0.105 0.000 0.000) 0.105 4.767 ( -5.967 0.000 0.000) 5.967 4.813 ( 0.707 0.000 0.000) 0.707 5.044 ( 5.619 0.000 0.000) 5.619 5.109 ( 11.006 0.000 0.000) 11.006 5.140 ( 9.833 0.000 0.000) 9.833 5.507 ( -3.520 0.000 0.000) 3.520 5.677 ( 4.216 0.000 0.000) 4.216 5.724 ( 6.978 0.000 0.000) 6.978 5.816 ( 1.928 0.000 0.000) 1.928 5.845 ( 2.574 0.000 0.000) 2.574 5.889 ( 4.410 0.000 0.000) 4.410 6.029 ( 4.586 0.000 0.000) 4.586 6.045 ( 9.399 0.000 0.000) 9.399 6.122 ( 1.449 0.000 0.000) 1.449 6.171 ( 1.267 0.000 0.000) 1.267 6.197 ( -4.404 0.000 0.000) 4.404 6.231 ( 2.998 0.000 0.000) 2.998 6.344 ( -1.209 0.000 0.000) 1.209 6.352 ( 1.613 0.000 0.000) 1.613 6.391 ( 8.099 0.000 0.000) 8.099 6.442 ( 0.941 0.000 0.000) 0.941 6.497 ( 1.378 0.000 0.000) 1.378 6.608 ( 4.339 0.000 0.000) 4.339 6.678 ( 3.750 0.000 0.000) 3.750 6.721 ( 2.621 0.000 0.000) 2.621 6.791 ( -1.259 0.000 0.000) 1.259 6.823 ( -1.313 0.000 0.000) 1.313 6.929 ( -8.543 0.000 0.000) 8.543 6.946 ( 1.520 0.000 0.000) 1.520 7.125 ( -0.140 0.000 0.000) 0.140 7.186 ( -7.462 0.000 0.000) 7.462 7.240 ( 3.976 0.000 0.000) 3.976 7.271 ( 0.511 0.000 0.000) 0.511 7.380 ( 0.424 0.000 0.000) 0.424 7.426 ( -3.375 0.000 0.000) 3.375 7.439 ( -2.690 0.000 0.000) 2.690 7.686 ( -1.576 0.000 0.000) 1.576 7.709 ( 2.910 0.000 0.000) 2.910 7.750 ( -0.551 0.000 0.000) 0.551 7.773 ( -5.376 0.000 0.000) 5.376 7.831 ( -4.268 0.000 0.000) 4.268 7.909 ( -4.262 0.000 0.000) 4.262 7.937 ( 1.212 0.000 0.000) 1.212 8.098 ( -3.941 0.000 0.000) 3.941 8.220 ( -1.111 0.000 0.000) 1.111 8.251 ( -1.949 0.000 0.000) 1.949 8.290 ( 1.085 0.000 0.000) 1.085 8.500 ( -6.368 0.000 0.000) 6.368 8.516 ( -3.256 0.000 0.000) 3.256 8.609 ( -2.404 0.000 0.000) 2.404 8.674 ( -4.638 0.000 0.000) 4.638 8.684 ( 1.349 0.000 0.000) 1.349 8.752 ( 0.696 0.000 0.000) 0.696 8.804 ( 0.564 0.000 0.000) 0.564 8.827 ( -2.598 0.000 0.000) 2.598 8.913 ( 0.438 0.000 0.000) 0.438 9.023 ( -1.564 0.000 0.000) 1.564 9.092 ( -4.490 0.000 0.000) 4.490 9.116 ( -3.883 0.000 0.000) 3.883 9.333 ( -6.118 0.000 0.000) 6.118 9.369 ( -3.864 0.000 0.000) 3.864 9.659 ( -9.322 0.000 0.000) 9.322 9.694 ( -10.050 0.000 0.000) 10.050 10.100 ( 7.245 0.000 0.000) 7.245 10.111 ( 5.132 0.000 0.000) 5.132 ======================= Grid point 4 (5/42) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.514 0.000 0.000) 0.514 1.075 ( 2.667 0.000 0.000) 2.667 1.163 ( -0.763 0.000 0.000) 0.763 1.170 ( -1.666 0.000 0.000) 1.666 1.255 ( 0.743 0.000 0.000) 0.743 1.288 ( -2.599 0.000 0.000) 2.599 1.347 ( -0.984 0.000 0.000) 0.984 1.393 ( 1.956 0.000 0.000) 1.956 1.516 ( 5.132 0.000 0.000) 5.132 1.551 ( 3.692 0.000 0.000) 3.692 1.559 ( 3.364 0.000 0.000) 3.364 1.587 ( 2.753 0.000 0.000) 2.753 1.734 ( 3.867 0.000 0.000) 3.867 1.797 ( 5.714 0.000 0.000) 5.714 1.836 ( 5.224 0.000 0.000) 5.224 1.915 ( 7.721 0.000 0.000) 7.721 1.939 ( 5.867 0.000 0.000) 5.867 1.999 ( 4.256 0.000 0.000) 4.256 2.006 ( 7.407 0.000 0.000) 7.407 2.135 ( 1.185 0.000 0.000) 1.185 2.174 ( 6.046 0.000 0.000) 6.046 2.204 ( 4.776 0.000 0.000) 4.776 2.275 ( 8.415 0.000 0.000) 8.415 2.292 ( 1.379 0.000 0.000) 1.379 2.315 ( 5.350 0.000 0.000) 5.350 2.430 ( -0.786 0.000 0.000) 0.786 2.502 ( 3.990 0.000 0.000) 3.990 2.582 ( 0.244 0.000 0.000) 0.244 2.625 ( -7.473 0.000 0.000) 7.473 2.634 ( 0.817 0.000 0.000) 0.817 2.718 ( 1.992 0.000 0.000) 1.992 2.737 ( 1.008 0.000 0.000) 1.008 2.817 ( -3.806 0.000 0.000) 3.806 2.828 ( -1.401 0.000 0.000) 1.401 2.901 ( 6.572 0.000 0.000) 6.572 3.016 ( 9.091 0.000 0.000) 9.091 3.202 ( 2.217 0.000 0.000) 2.217 3.345 ( 1.713 0.000 0.000) 1.713 3.367 ( 2.708 0.000 0.000) 2.708 3.433 ( 10.580 0.000 0.000) 10.580 3.453 ( 12.488 0.000 0.000) 12.488 3.490 ( 9.853 0.000 0.000) 9.853 3.609 ( 16.287 0.000 0.000) 16.287 3.652 ( 10.599 0.000 0.000) 10.599 3.735 ( 18.767 0.000 0.000) 18.767 3.767 ( 18.967 0.000 0.000) 18.967 3.862 ( 17.797 0.000 0.000) 17.797 4.015 ( 14.542 0.000 0.000) 14.542 4.190 ( -1.070 0.000 0.000) 1.070 4.286 ( -4.091 0.000 0.000) 4.091 4.359 ( 6.190 0.000 0.000) 6.190 4.426 ( 6.082 0.000 0.000) 6.082 4.430 ( 5.752 0.000 0.000) 5.752 4.494 ( 6.343 0.000 0.000) 6.343 4.552 ( 4.453 0.000 0.000) 4.453 4.667 ( -2.465 0.000 0.000) 2.465 4.853 ( 2.390 0.000 0.000) 2.390 5.162 ( 4.898 0.000 0.000) 4.898 5.259 ( 2.275 0.000 0.000) 2.275 5.259 ( 3.907 0.000 0.000) 3.907 5.418 ( -4.180 0.000 0.000) 4.180 5.643 ( -5.089 0.000 0.000) 5.089 5.785 ( -1.043 0.000 0.000) 1.043 5.870 ( 4.645 0.000 0.000) 4.645 5.935 ( 1.891 0.000 0.000) 1.891 5.990 ( 5.986 0.000 0.000) 5.986 6.064 ( -5.819 0.000 0.000) 5.819 6.094 ( -0.618 0.000 0.000) 0.618 6.132 ( -2.244 0.000 0.000) 2.244 6.156 ( 6.056 0.000 0.000) 6.056 6.234 ( 7.395 0.000 0.000) 7.395 6.306 ( -1.940 0.000 0.000) 1.940 6.315 ( 4.555 0.000 0.000) 4.555 6.410 ( 4.304 0.000 0.000) 4.304 6.431 ( -0.922 0.000 0.000) 0.922 6.563 ( 3.537 0.000 0.000) 3.537 6.578 ( 6.158 0.000 0.000) 6.158 6.628 ( -0.654 0.000 0.000) 0.654 6.709 ( -3.805 0.000 0.000) 3.805 6.719 ( -5.949 0.000 0.000) 5.949 6.761 ( 1.968 0.000 0.000) 1.968 6.819 ( 2.469 0.000 0.000) 2.469 6.821 ( -1.336 0.000 0.000) 1.336 6.968 ( -6.363 0.000 0.000) 6.363 7.034 ( -4.504 0.000 0.000) 4.504 7.058 ( 1.458 0.000 0.000) 1.458 7.283 ( -0.181 0.000 0.000) 0.181 7.340 ( -0.945 0.000 0.000) 0.945 7.363 ( 2.631 0.000 0.000) 2.631 7.382 ( 0.986 0.000 0.000) 0.986 7.479 ( 4.455 0.000 0.000) 4.455 7.612 ( -3.719 0.000 0.000) 3.719 7.707 ( -0.848 0.000 0.000) 0.848 7.736 ( -2.686 0.000 0.000) 2.686 7.744 ( -3.684 0.000 0.000) 3.684 7.769 ( 1.440 0.000 0.000) 1.440 7.844 ( -0.084 0.000 0.000) 0.084 7.993 ( 4.094 0.000 0.000) 4.094 8.117 ( 3.875 0.000 0.000) 3.875 8.184 ( -2.310 0.000 0.000) 2.310 8.220 ( -1.183 0.000 0.000) 1.183 8.306 ( 0.257 0.000 0.000) 0.257 8.408 ( -2.807 0.000 0.000) 2.807 8.458 ( -2.339 0.000 0.000) 2.339 8.580 ( -0.395 0.000 0.000) 0.395 8.591 ( -3.440 0.000 0.000) 3.440 8.724 ( 2.775 0.000 0.000) 2.775 8.772 ( 1.186 0.000 0.000) 1.186 8.792 ( -0.663 0.000 0.000) 0.663 8.812 ( 0.224 0.000 0.000) 0.224 8.923 ( 0.114 0.000 0.000) 0.114 8.996 ( -1.339 0.000 0.000) 1.339 9.026 ( -1.884 0.000 0.000) 1.884 9.050 ( -2.592 0.000 0.000) 2.592 9.228 ( -4.548 0.000 0.000) 4.548 9.290 ( -4.132 0.000 0.000) 4.132 9.471 ( -9.385 0.000 0.000) 9.385 9.493 ( -10.049 0.000 0.000) 10.049 10.193 ( 3.111 0.000 0.000) 3.111 10.218 ( 4.603 0.000 0.000) 4.603 ======================= Grid point 5 (6/42) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -2.647 0.000 0.000) 2.647 1.105 ( 0.638 0.000 0.000) 0.638 1.123 ( -2.822 0.000 0.000) 2.822 1.130 ( -1.395 0.000 0.000) 1.395 1.198 ( -5.075 0.000 0.000) 5.075 1.229 ( -3.031 0.000 0.000) 3.031 1.306 ( -2.790 0.000 0.000) 2.790 1.384 ( -2.411 0.000 0.000) 2.411 1.577 ( 0.052 0.000 0.000) 0.052 1.590 ( 2.460 0.000 0.000) 2.460 1.627 ( 3.169 0.000 0.000) 3.169 1.633 ( 2.438 0.000 0.000) 2.438 1.829 ( 5.642 0.000 0.000) 5.642 1.888 ( 3.140 0.000 0.000) 3.140 1.961 ( 4.971 0.000 0.000) 4.971 2.022 ( 2.494 0.000 0.000) 2.494 2.025 ( 1.186 0.000 0.000) 1.186 2.078 ( 6.556 0.000 0.000) 6.556 2.131 ( 4.591 0.000 0.000) 4.591 2.183 ( 3.332 0.000 0.000) 3.332 2.229 ( -0.337 0.000 0.000) 0.337 2.277 ( 3.275 0.000 0.000) 3.275 2.319 ( 0.885 0.000 0.000) 0.885 2.401 ( -1.832 0.000 0.000) 1.832 2.408 ( 3.201 0.000 0.000) 3.201 2.437 ( -9.853 0.000 0.000) 9.853 2.441 ( 7.684 0.000 0.000) 7.684 2.568 ( 2.457 0.000 0.000) 2.457 2.601 ( 1.981 0.000 0.000) 1.981 2.620 ( -2.357 0.000 0.000) 2.357 2.668 ( -3.144 0.000 0.000) 3.144 2.712 ( -4.544 0.000 0.000) 4.544 2.725 ( -4.725 0.000 0.000) 4.725 2.842 ( 2.774 0.000 0.000) 2.774 3.006 ( 3.994 0.000 0.000) 3.994 3.100 ( -1.345 0.000 0.000) 1.345 3.203 ( 1.881 0.000 0.000) 1.881 3.400 ( 2.537 0.000 0.000) 2.537 3.526 ( 11.484 0.000 0.000) 11.484 3.647 ( 9.133 0.000 0.000) 9.133 3.662 ( 7.996 0.000 0.000) 7.996 3.669 ( 7.698 0.000 0.000) 7.698 3.846 ( 8.294 0.000 0.000) 8.294 3.869 ( 9.961 0.000 0.000) 9.961 3.966 ( 0.346 0.000 0.000) 0.346 4.048 ( 10.465 0.000 0.000) 10.465 4.129 ( 4.399 0.000 0.000) 4.399 4.180 ( 4.125 0.000 0.000) 4.125 4.269 ( 6.497 0.000 0.000) 6.497 4.314 ( 11.159 0.000 0.000) 11.159 4.472 ( -0.109 0.000 0.000) 0.109 4.494 ( 2.320 0.000 0.000) 2.320 4.510 ( 8.120 0.000 0.000) 8.120 4.576 ( 5.052 0.000 0.000) 5.052 4.726 ( 7.293 0.000 0.000) 7.293 4.752 ( 10.841 0.000 0.000) 10.841 4.872 ( -0.912 0.000 0.000) 0.912 5.138 ( -5.619 0.000 0.000) 5.619 5.272 ( -2.164 0.000 0.000) 2.164 5.291 ( -2.450 0.000 0.000) 2.450 5.402 ( 4.855 0.000 0.000) 4.855 5.532 ( -4.752 0.000 0.000) 4.752 5.748 ( -1.518 0.000 0.000) 1.518 5.946 ( -1.392 0.000 0.000) 1.392 5.953 ( 2.677 0.000 0.000) 2.677 5.992 ( -1.479 0.000 0.000) 1.479 5.999 ( -0.450 0.000 0.000) 0.450 6.128 ( 1.934 0.000 0.000) 1.934 6.152 ( 3.847 0.000 0.000) 3.847 6.267 ( 3.778 0.000 0.000) 3.778 6.290 ( -0.052 0.000 0.000) 0.052 6.343 ( 2.157 0.000 0.000) 2.157 6.377 ( 0.093 0.000 0.000) 0.093 6.407 ( 1.056 0.000 0.000) 1.056 6.470 ( 2.854 0.000 0.000) 2.854 6.568 ( -3.323 0.000 0.000) 3.323 6.602 ( 0.072 0.000 0.000) 0.072 6.606 ( -3.695 0.000 0.000) 3.695 6.625 ( -1.336 0.000 0.000) 1.336 6.713 ( -2.253 0.000 0.000) 2.253 6.736 ( 1.378 0.000 0.000) 1.378 6.797 ( -7.906 0.000 0.000) 7.906 6.857 ( 1.524 0.000 0.000) 1.524 6.860 ( 3.126 0.000 0.000) 3.126 7.014 ( 2.075 0.000 0.000) 2.075 7.124 ( 2.862 0.000 0.000) 2.862 7.282 ( 0.849 0.000 0.000) 0.849 7.350 ( 0.875 0.000 0.000) 0.875 7.360 ( -0.501 0.000 0.000) 0.501 7.388 ( -2.057 0.000 0.000) 2.057 7.572 ( 2.377 0.000 0.000) 2.377 7.598 ( 1.308 0.000 0.000) 1.308 7.637 ( -3.581 0.000 0.000) 3.581 7.689 ( -1.195 0.000 0.000) 1.195 7.723 ( 1.818 0.000 0.000) 1.818 7.801 ( 1.158 0.000 0.000) 1.158 7.886 ( 2.652 0.000 0.000) 2.652 8.076 ( 3.427 0.000 0.000) 3.427 8.139 ( -2.087 0.000 0.000) 2.087 8.170 ( -0.033 0.000 0.000) 0.033 8.233 ( 3.786 0.000 0.000) 3.786 8.300 ( -0.698 0.000 0.000) 0.698 8.381 ( -0.282 0.000 0.000) 0.282 8.427 ( -0.828 0.000 0.000) 0.828 8.540 ( -1.775 0.000 0.000) 1.775 8.589 ( 0.947 0.000 0.000) 0.947 8.793 ( 1.181 0.000 0.000) 1.181 8.794 ( 3.898 0.000 0.000) 3.898 8.813 ( 2.665 0.000 0.000) 2.665 8.822 ( 1.133 0.000 0.000) 1.133 8.915 ( -0.627 0.000 0.000) 0.627 8.966 ( -1.549 0.000 0.000) 1.549 9.012 ( -1.589 0.000 0.000) 1.589 9.012 ( -0.015 0.000 0.000) 0.015 9.148 ( -3.527 0.000 0.000) 3.527 9.205 ( -4.287 0.000 0.000) 4.287 9.294 ( -8.158 0.000 0.000) 8.158 9.301 ( -9.135 0.000 0.000) 9.135 10.236 ( 1.302 0.000 0.000) 1.302 10.286 ( 2.303 0.000 0.000) 2.303 ======================= Grid point 6 (7/42) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -1.832 0.000 0.000) 1.832 1.075 ( -1.471 0.000 0.000) 1.471 1.109 ( -0.325 0.000 0.000) 0.325 1.116 ( -0.299 0.000 0.000) 0.299 1.121 ( -1.863 0.000 0.000) 1.863 1.164 ( -2.303 0.000 0.000) 2.303 1.259 ( -1.479 0.000 0.000) 1.479 1.343 ( -1.115 0.000 0.000) 1.115 1.576 ( -0.022 0.000 0.000) 0.022 1.623 ( 0.867 0.000 0.000) 0.867 1.670 ( 1.116 0.000 0.000) 1.116 1.680 ( 1.661 0.000 0.000) 1.661 1.918 ( 2.481 0.000 0.000) 2.481 1.923 ( 0.633 0.000 0.000) 0.633 1.992 ( 0.047 0.000 0.000) 0.047 2.042 ( -0.026 0.000 0.000) 0.026 2.058 ( 1.335 0.000 0.000) 1.335 2.181 ( 0.916 0.000 0.000) 0.916 2.189 ( 2.962 0.000 0.000) 2.962 2.228 ( 0.469 0.000 0.000) 0.469 2.245 ( 1.844 0.000 0.000) 1.844 2.273 ( -3.877 0.000 0.000) 3.877 2.290 ( -1.300 0.000 0.000) 1.300 2.318 ( -0.666 0.000 0.000) 0.666 2.403 ( 2.035 0.000 0.000) 2.035 2.446 ( 0.273 0.000 0.000) 0.273 2.543 ( -0.412 0.000 0.000) 0.412 2.554 ( -2.584 0.000 0.000) 2.584 2.597 ( 0.045 0.000 0.000) 0.045 2.612 ( 1.581 0.000 0.000) 1.581 2.642 ( 1.127 0.000 0.000) 1.127 2.657 ( -2.059 0.000 0.000) 2.059 2.663 ( -0.567 0.000 0.000) 0.567 2.896 ( 1.774 0.000 0.000) 1.774 3.040 ( -2.477 0.000 0.000) 2.477 3.061 ( 1.517 0.000 0.000) 1.517 3.259 ( 1.946 0.000 0.000) 1.946 3.453 ( 1.860 0.000 0.000) 1.860 3.693 ( 4.601 0.000 0.000) 4.601 3.749 ( 2.244 0.000 0.000) 2.244 3.762 ( 2.212 0.000 0.000) 2.212 3.802 ( 4.077 0.000 0.000) 4.077 3.924 ( -0.757 0.000 0.000) 0.757 3.983 ( 3.028 0.000 0.000) 3.028 4.000 ( 3.246 0.000 0.000) 3.246 4.106 ( -0.816 0.000 0.000) 0.816 4.186 ( 2.295 0.000 0.000) 2.295 4.197 ( -0.681 0.000 0.000) 0.681 4.424 ( 5.002 0.000 0.000) 5.002 4.440 ( 0.157 0.000 0.000) 0.157 4.525 ( 5.187 0.000 0.000) 5.187 4.544 ( 2.102 0.000 0.000) 2.102 4.638 ( 3.647 0.000 0.000) 3.647 4.667 ( 3.068 0.000 0.000) 3.068 4.818 ( -2.848 0.000 0.000) 2.848 4.878 ( 6.166 0.000 0.000) 6.166 4.933 ( 5.811 0.000 0.000) 5.811 5.033 ( -3.619 0.000 0.000) 3.619 5.197 ( -4.718 0.000 0.000) 4.718 5.209 ( -2.904 0.000 0.000) 2.904 5.480 ( -0.881 0.000 0.000) 0.881 5.503 ( 3.083 0.000 0.000) 3.083 5.748 ( 1.139 0.000 0.000) 1.139 5.880 ( -2.661 0.000 0.000) 2.661 5.971 ( 0.308 0.000 0.000) 0.308 6.016 ( 1.606 0.000 0.000) 1.606 6.028 ( 1.483 0.000 0.000) 1.483 6.180 ( 2.183 0.000 0.000) 2.183 6.195 ( 0.959 0.000 0.000) 0.959 6.262 ( -2.103 0.000 0.000) 2.103 6.285 ( 0.107 0.000 0.000) 0.107 6.338 ( -4.500 0.000 0.000) 4.500 6.381 ( 4.516 0.000 0.000) 4.516 6.473 ( -1.802 0.000 0.000) 1.802 6.501 ( 2.799 0.000 0.000) 2.799 6.512 ( 0.455 0.000 0.000) 0.455 6.544 ( -3.042 0.000 0.000) 3.042 6.584 ( -2.588 0.000 0.000) 2.588 6.621 ( 1.481 0.000 0.000) 1.481 6.651 ( -1.570 0.000 0.000) 1.570 6.694 ( -2.517 0.000 0.000) 2.517 6.775 ( 0.949 0.000 0.000) 0.949 6.884 ( 0.883 0.000 0.000) 0.883 6.909 ( 1.449 0.000 0.000) 1.449 7.062 ( 1.649 0.000 0.000) 1.649 7.163 ( 1.047 0.000 0.000) 1.047 7.313 ( 1.603 0.000 0.000) 1.603 7.346 ( -0.639 0.000 0.000) 0.639 7.353 ( -0.906 0.000 0.000) 0.906 7.361 ( 0.249 0.000 0.000) 0.249 7.504 ( -3.585 0.000 0.000) 3.585 7.615 ( 0.300 0.000 0.000) 0.300 7.675 ( 2.132 0.000 0.000) 2.132 7.692 ( 0.653 0.000 0.000) 0.653 7.755 ( 1.005 0.000 0.000) 1.005 7.811 ( 0.057 0.000 0.000) 0.057 7.927 ( 1.177 0.000 0.000) 1.177 8.107 ( -0.926 0.000 0.000) 0.926 8.114 ( 0.667 0.000 0.000) 0.667 8.158 ( -0.502 0.000 0.000) 0.502 8.287 ( -0.420 0.000 0.000) 0.420 8.317 ( 3.094 0.000 0.000) 3.094 8.382 ( 0.172 0.000 0.000) 0.172 8.420 ( -0.048 0.000 0.000) 0.048 8.518 ( -0.507 0.000 0.000) 0.507 8.604 ( 0.426 0.000 0.000) 0.426 8.818 ( 0.941 0.000 0.000) 0.941 8.837 ( 0.984 0.000 0.000) 0.984 8.877 ( 2.452 0.000 0.000) 2.452 8.884 ( 3.743 0.000 0.000) 3.743 8.911 ( 0.718 0.000 0.000) 0.718 8.939 ( -1.618 0.000 0.000) 1.618 8.983 ( -0.914 0.000 0.000) 0.914 9.012 ( -0.143 0.000 0.000) 0.143 9.093 ( -1.754 0.000 0.000) 1.754 9.135 ( -2.013 0.000 0.000) 2.013 9.147 ( -5.348 0.000 0.000) 5.348 9.163 ( -4.415 0.000 0.000) 4.415 10.250 ( 0.288 0.000 0.000) 0.288 10.314 ( 0.660 0.000 0.000) 0.660 ======================= Grid point 13 (8/42) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.000 -0.000 0.000) 0.000 0.548 ( 0.000 0.000 0.000) 0.000 0.573 ( 0.000 -0.000 0.000) 0.000 0.583 ( 0.000 0.000 0.000) 0.000 0.858 ( 0.000 -0.000 0.000) 0.000 0.963 ( 0.000 0.000 0.000) 0.000 1.033 ( 0.000 0.000 0.000) 0.000 1.052 ( 0.000 0.000 0.000) 0.000 1.057 ( 0.000 0.000 0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.262 ( 0.000 0.000 0.000) 0.000 1.274 ( 0.000 -0.000 0.000) 0.000 1.274 ( 0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.444 ( 0.000 0.000 0.000) 0.000 1.455 ( 0.000 0.000 0.000) 0.000 1.508 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.718 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 2.014 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.311 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.458 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 -0.000 0.000) 0.000 2.989 ( 0.000 -0.000 0.000) 0.000 3.000 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 -0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 -0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 5.914 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.309 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.375 ( 0.000 0.000 0.000) 0.000 7.489 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 7.760 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.394 ( 0.000 0.000 0.000) 0.000 8.430 ( 0.000 0.000 0.000) 0.000 8.471 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 0.000 0.000) 0.000 8.709 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.814 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.039 ( 0.000 0.000 0.000) 0.000 9.083 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 0.000) 0.000 10.167 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 15 (9/42) ======================= q-point: ( 0.08 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 6.555 -0.000 0.000) 6.555 0.565 ( 7.426 0.000 0.000) 7.426 0.639 ( 10.426 -0.000 0.000) 10.426 0.648 ( 8.498 0.000 0.000) 8.498 0.991 ( 1.813 0.000 0.000) 1.813 1.116 ( 8.872 -0.000 0.000) 8.872 1.140 ( 7.383 0.000 0.000) 7.383 1.185 ( 11.998 -0.000 0.000) 11.998 1.224 ( 13.318 0.000 0.000) 13.318 1.251 ( 5.928 0.000 0.000) 5.928 1.275 ( 2.772 -0.000 0.000) 2.772 1.350 ( 3.135 0.000 0.000) 3.135 1.406 ( 10.832 0.000 0.000) 10.832 1.451 ( 0.391 0.000 0.000) 0.391 1.478 ( 5.279 0.000 0.000) 5.279 1.499 ( 0.531 0.000 0.000) 0.531 1.542 ( 9.897 0.000 0.000) 9.897 1.609 ( 10.975 0.000 0.000) 10.975 1.628 ( 2.174 0.000 0.000) 2.174 1.711 ( 2.271 0.000 0.000) 2.271 1.732 ( 7.442 0.000 0.000) 7.442 1.774 ( 5.427 0.000 0.000) 5.427 1.829 ( 10.217 0.000 0.000) 10.217 1.844 ( 8.121 0.000 0.000) 8.121 1.929 ( 2.909 0.000 0.000) 2.909 1.978 ( 0.131 0.000 0.000) 0.131 2.128 ( 9.230 0.000 0.000) 9.230 2.137 ( 10.233 -0.000 0.000) 10.233 2.252 ( 8.893 0.000 0.000) 8.893 2.273 ( 9.887 0.000 0.000) 9.887 2.340 ( 4.224 0.000 0.000) 4.224 2.412 ( 5.795 0.000 0.000) 5.795 2.473 ( 6.793 0.000 0.000) 6.793 2.564 ( 10.000 0.000 0.000) 10.000 2.636 ( 0.951 0.000 0.000) 0.951 2.670 ( 2.759 0.000 0.000) 2.759 2.692 ( -1.766 0.000 0.000) 1.766 2.883 ( -1.303 0.000 0.000) 1.303 2.911 ( -0.597 -0.000 0.000) 0.597 2.949 ( -1.061 0.000 0.000) 1.061 2.986 ( 0.093 0.000 0.000) 0.093 3.010 ( -1.520 0.000 0.000) 1.520 3.248 ( -1.122 0.000 0.000) 1.122 3.355 ( -3.340 0.000 0.000) 3.340 3.531 ( -0.148 0.000 0.000) 0.148 3.560 ( 0.925 0.000 0.000) 0.925 3.642 ( 8.788 0.000 0.000) 8.788 3.642 ( 8.357 -0.000 0.000) 8.357 3.772 ( -2.777 0.000 0.000) 2.777 3.772 ( -0.783 -0.000 0.000) 0.783 4.124 ( 2.125 0.000 0.000) 2.125 4.229 ( 0.100 0.000 0.000) 0.100 4.434 ( 15.574 0.000 0.000) 15.574 4.457 ( 8.980 0.000 0.000) 8.980 4.502 ( 3.137 0.000 0.000) 3.137 4.533 ( -4.509 0.000 0.000) 4.509 4.602 ( -3.984 0.000 0.000) 3.984 4.926 ( -1.147 0.000 0.000) 1.147 5.002 ( -3.511 0.000 0.000) 3.511 5.031 ( 1.349 0.000 0.000) 1.349 5.262 ( 11.244 0.000 0.000) 11.244 5.334 ( 0.908 0.000 0.000) 0.908 5.520 ( 7.479 0.000 0.000) 7.479 5.633 ( 10.392 0.000 0.000) 10.392 5.670 ( 0.056 0.000 0.000) 0.056 5.763 ( 12.706 -0.000 0.000) 12.706 5.831 ( 9.405 0.000 0.000) 9.405 5.859 ( 4.166 -0.000 0.000) 4.166 5.863 ( 2.353 0.000 0.000) 2.353 5.959 ( 4.026 0.000 0.000) 4.026 5.988 ( 0.818 0.000 0.000) 0.818 6.156 ( 7.515 0.000 0.000) 7.515 6.208 ( 1.260 0.000 0.000) 1.260 6.253 ( -1.291 0.000 0.000) 1.291 6.302 ( 0.884 0.000 0.000) 0.884 6.333 ( 7.459 -0.000 0.000) 7.459 6.439 ( 4.811 0.000 0.000) 4.811 6.500 ( 2.523 0.000 0.000) 2.523 6.690 ( -1.314 0.000 0.000) 1.314 6.837 ( -2.315 0.000 0.000) 2.315 6.872 ( -8.454 0.000 0.000) 8.454 6.874 ( -0.864 0.000 0.000) 0.864 6.980 ( -0.337 0.000 0.000) 0.337 7.040 ( -4.313 0.000 0.000) 4.313 7.087 ( 0.558 0.000 0.000) 0.558 7.175 ( -5.225 0.000 0.000) 5.225 7.219 ( 2.170 0.000 0.000) 2.170 7.295 ( 12.811 -0.000 0.000) 12.811 7.306 ( 1.745 0.000 0.000) 1.745 7.411 ( 3.604 0.000 0.000) 3.604 7.493 ( 0.909 0.000 0.000) 0.909 7.547 ( 6.620 0.000 0.000) 6.620 7.637 ( 0.314 0.000 0.000) 0.314 7.738 ( -2.083 0.000 0.000) 2.083 7.898 ( -1.828 0.000 0.000) 1.828 7.968 ( -1.115 0.000 0.000) 1.115 7.970 ( -2.049 0.000 0.000) 2.049 8.102 ( 2.676 0.000 0.000) 2.676 8.357 ( -3.340 0.000 0.000) 3.340 8.382 ( -4.898 0.000 0.000) 4.898 8.400 ( -6.666 0.000 0.000) 6.666 8.472 ( -7.635 0.000 0.000) 7.635 8.651 ( -0.848 -0.000 0.000) 0.848 8.671 ( -3.600 0.000 0.000) 3.600 8.680 ( -3.746 0.000 0.000) 3.746 8.775 ( -2.961 0.000 0.000) 2.961 8.785 ( -3.690 0.000 0.000) 3.690 8.819 ( -2.696 0.000 0.000) 2.696 8.925 ( -5.843 0.000 0.000) 5.843 8.945 ( -1.535 0.000 0.000) 1.535 8.996 ( -6.185 0.000 0.000) 6.185 9.103 ( -2.119 0.000 0.000) 2.119 9.265 ( -3.823 0.000 0.000) 3.823 9.293 ( -3.286 0.000 0.000) 3.286 9.526 ( -3.371 0.000 0.000) 3.371 9.585 ( -5.109 0.000 0.000) 5.109 9.752 ( 8.483 0.000 0.000) 8.483 9.797 ( 8.410 0.000 0.000) 8.410 9.989 ( -3.994 0.000 0.000) 3.994 10.070 ( -7.859 0.000 0.000) 7.859 ======================= Grid point 17 (10/42) ======================= q-point: ( 0.15 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 13.852 -0.000 0.000) 13.852 0.828 ( 13.955 0.000 0.000) 13.955 0.833 ( 10.461 0.000 0.000) 10.461 0.910 ( 14.605 0.000 0.000) 14.605 1.084 ( 7.898 0.000 0.000) 7.898 1.203 ( 1.328 0.000 0.000) 1.328 1.241 ( 1.921 0.000 0.000) 1.921 1.321 ( 7.728 0.000 0.000) 7.728 1.329 ( 6.228 0.000 0.000) 6.228 1.371 ( 4.499 0.000 0.000) 4.499 1.413 ( -1.623 0.000 0.000) 1.623 1.470 ( 3.833 -0.000 0.000) 3.833 1.508 ( 9.077 0.000 0.000) 9.077 1.556 ( 2.151 0.000 0.000) 2.151 1.583 ( 9.210 0.000 0.000) 9.210 1.676 ( 10.563 0.000 0.000) 10.563 1.691 ( 4.592 0.000 0.000) 4.592 1.715 ( 5.913 0.000 0.000) 5.913 1.767 ( 10.909 -0.000 0.000) 10.909 1.826 ( 2.032 0.000 0.000) 2.032 1.942 ( 11.071 0.000 0.000) 11.071 1.966 ( 3.796 0.000 0.000) 3.796 2.002 ( 15.610 -0.000 0.000) 15.610 2.065 ( 19.041 0.000 0.000) 19.041 2.068 ( 10.404 -0.000 0.000) 10.404 2.121 ( 10.898 0.000 0.000) 10.898 2.288 ( -0.428 0.000 0.000) 0.428 2.338 ( 3.229 0.000 0.000) 3.229 2.382 ( 11.023 0.000 0.000) 11.023 2.448 ( 11.081 0.000 0.000) 11.081 2.543 ( 8.063 0.000 0.000) 8.063 2.615 ( 14.093 0.000 0.000) 14.093 2.670 ( 10.200 0.000 0.000) 10.200 2.690 ( 11.014 0.000 0.000) 11.014 2.767 ( 9.192 0.000 0.000) 9.192 2.779 ( 6.833 0.000 0.000) 6.833 2.844 ( 9.902 0.000 0.000) 9.902 2.867 ( 4.746 0.000 0.000) 4.746 2.907 ( 1.644 -0.000 0.000) 1.644 3.000 ( 4.026 0.000 0.000) 4.026 3.032 ( 11.651 0.000 0.000) 11.651 3.053 ( 5.627 -0.000 0.000) 5.627 3.252 ( 2.340 0.000 0.000) 2.340 3.293 ( -1.913 0.000 0.000) 1.913 3.493 ( -3.613 0.000 0.000) 3.613 3.531 ( 1.660 0.000 0.000) 1.660 3.654 ( -3.564 0.000 0.000) 3.564 3.671 ( -6.000 0.000 0.000) 6.000 3.910 ( 13.988 0.000 0.000) 13.988 3.937 ( 12.932 0.000 0.000) 12.932 4.211 ( 6.023 0.000 0.000) 6.023 4.256 ( 2.411 0.000 0.000) 2.411 4.429 ( -5.560 -0.000 0.000) 5.560 4.465 ( -3.027 0.000 0.000) 3.027 4.523 ( 0.088 0.000 0.000) 0.088 4.758 ( 8.666 0.000 0.000) 8.666 4.775 ( 14.874 0.000 0.000) 14.874 4.914 ( -0.320 0.000 0.000) 0.320 4.951 ( 2.774 0.000 0.000) 2.774 5.013 ( 0.362 0.000 0.000) 0.362 5.439 ( 8.009 0.000 0.000) 8.009 5.519 ( 12.761 0.000 0.000) 12.761 5.602 ( -0.988 0.000 0.000) 0.988 5.723 ( 5.886 0.000 0.000) 5.886 5.842 ( 8.451 0.000 0.000) 8.451 5.847 ( 2.282 0.000 0.000) 2.282 5.872 ( 1.720 0.000 0.000) 1.720 5.957 ( 4.657 -0.000 0.000) 4.657 6.024 ( 4.079 0.000 0.000) 4.079 6.084 ( 7.161 0.000 0.000) 7.161 6.135 ( 13.885 0.000 0.000) 13.885 6.206 ( -0.636 0.000 0.000) 0.636 6.247 ( 1.584 0.000 0.000) 1.584 6.306 ( -0.765 0.000 0.000) 0.765 6.321 ( 7.734 0.000 0.000) 7.734 6.404 ( -1.191 0.000 0.000) 1.191 6.523 ( 2.466 0.000 0.000) 2.466 6.594 ( -3.260 0.000 0.000) 3.260 6.629 ( 5.971 0.000 0.000) 5.971 6.735 ( -4.193 0.000 0.000) 4.193 6.782 ( -0.538 0.000 0.000) 0.538 6.908 ( -4.326 0.000 0.000) 4.326 6.950 ( 2.939 0.000 0.000) 2.939 7.017 ( -0.682 -0.000 0.000) 0.682 7.024 ( -1.516 0.000 0.000) 1.516 7.155 ( -0.087 0.000 0.000) 0.087 7.259 ( 1.048 0.000 0.000) 1.048 7.321 ( -1.632 0.000 0.000) 1.632 7.415 ( -0.694 0.000 0.000) 0.694 7.456 ( 1.303 0.000 0.000) 1.303 7.508 ( -0.970 0.000 0.000) 0.970 7.636 ( 2.480 0.000 0.000) 2.480 7.653 ( 3.512 0.000 0.000) 3.512 7.697 ( -1.383 0.000 0.000) 1.383 7.833 ( -3.767 0.000 0.000) 3.767 7.910 ( -4.768 0.000 0.000) 4.768 7.929 ( -2.139 0.000 0.000) 2.139 8.153 ( -0.217 0.000 0.000) 0.217 8.205 ( -10.471 0.000 0.000) 10.471 8.289 ( -5.878 -0.000 0.000) 5.878 8.291 ( -3.916 0.000 0.000) 3.916 8.300 ( -3.581 0.000 0.000) 3.581 8.581 ( -4.917 0.000 0.000) 4.917 8.627 ( -1.775 0.000 0.000) 1.775 8.642 ( -0.176 0.000 0.000) 0.176 8.683 ( -6.023 0.000 0.000) 6.023 8.753 ( -0.116 0.000 0.000) 0.116 8.757 ( -3.137 0.000 0.000) 3.137 8.842 ( -3.065 0.000 0.000) 3.065 8.889 ( -4.146 0.000 0.000) 4.146 8.922 ( -0.841 0.000 0.000) 0.841 9.060 ( -2.148 0.000 0.000) 2.148 9.184 ( -4.300 0.000 0.000) 4.300 9.207 ( -5.020 0.000 0.000) 5.020 9.453 ( -3.848 0.000 0.000) 3.848 9.458 ( -6.902 0.000 0.000) 6.902 9.822 ( -6.722 0.000 0.000) 6.722 9.882 ( -6.607 0.000 0.000) 6.607 9.947 ( 6.244 0.000 0.000) 6.244 9.995 ( 5.860 0.000 0.000) 5.860 ======================= Grid point 19 (11/42) ======================= q-point: ( 0.23 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 5.563 0.000 0.000) 5.563 1.019 ( 8.123 0.000 0.000) 8.123 1.070 ( 6.487 0.000 0.000) 6.487 1.154 ( 8.578 0.000 0.000) 8.578 1.255 ( 7.269 0.000 0.000) 7.269 1.257 ( 4.570 0.000 0.000) 4.570 1.259 ( 0.799 -0.000 0.000) 0.799 1.371 ( -0.392 0.000 0.000) 0.392 1.435 ( 4.312 -0.000 0.000) 4.312 1.441 ( 3.147 0.000 0.000) 3.147 1.522 ( 2.751 0.000 0.000) 2.751 1.528 ( 7.849 0.000 0.000) 7.849 1.587 ( 3.866 0.000 0.000) 3.866 1.697 ( 10.562 0.000 0.000) 10.562 1.735 ( 5.681 0.000 0.000) 5.681 1.787 ( 1.712 0.000 0.000) 1.712 1.803 ( 6.872 -0.000 0.000) 6.872 1.831 ( 5.550 0.000 0.000) 5.550 1.936 ( 8.104 0.000 0.000) 8.104 1.995 ( 8.048 0.000 0.000) 8.048 2.045 ( 5.827 0.000 0.000) 5.827 2.093 ( 7.996 0.000 0.000) 7.996 2.201 ( 5.919 0.000 0.000) 5.919 2.210 ( 2.411 -0.000 0.000) 2.411 2.301 ( 2.111 -0.000 0.000) 2.111 2.334 ( 0.337 0.000 0.000) 0.337 2.422 ( 9.329 0.000 0.000) 9.329 2.462 ( 18.448 -0.000 0.000) 18.448 2.508 ( 7.044 0.000 0.000) 7.044 2.640 ( 3.081 -0.000 0.000) 3.081 2.641 ( 7.809 0.000 0.000) 7.809 2.741 ( -0.445 0.000 0.000) 0.445 2.780 ( 0.912 0.000 0.000) 0.912 2.797 ( -1.780 0.000 0.000) 1.780 2.899 ( 2.649 0.000 0.000) 2.649 2.907 ( 4.929 -0.000 0.000) 4.929 3.087 ( 10.997 0.000 0.000) 10.997 3.091 ( 20.229 -0.000 0.000) 20.229 3.181 ( 16.617 0.000 0.000) 16.617 3.223 ( 12.402 0.000 0.000) 12.402 3.253 ( 17.194 0.000 0.000) 17.194 3.292 ( 9.017 0.000 0.000) 9.017 3.353 ( 6.384 0.000 0.000) 6.384 3.378 ( 15.064 0.000 0.000) 15.064 3.506 ( 7.109 0.000 0.000) 7.109 3.543 ( -1.924 0.000 0.000) 1.924 3.569 ( -0.220 0.000 0.000) 0.220 3.718 ( 13.706 0.000 0.000) 13.706 4.167 ( 9.793 0.000 0.000) 9.793 4.197 ( 12.534 0.000 0.000) 12.534 4.293 ( -0.344 0.000 0.000) 0.344 4.319 ( 4.019 0.000 0.000) 4.019 4.369 ( 3.122 -0.000 0.000) 3.122 4.385 ( -4.186 0.000 0.000) 4.186 4.542 ( 0.350 0.000 0.000) 0.350 4.773 ( -6.284 0.000 0.000) 6.284 4.803 ( 1.015 0.000 0.000) 1.015 5.038 ( 5.871 0.000 0.000) 5.871 5.134 ( 10.285 -0.000 0.000) 10.285 5.148 ( 10.255 0.000 0.000) 10.255 5.530 ( -4.526 0.000 0.000) 4.526 5.584 ( 4.953 0.000 0.000) 4.953 5.736 ( 6.515 0.000 0.000) 6.515 5.843 ( 7.699 0.000 0.000) 7.699 5.849 ( 0.810 0.000 0.000) 0.810 5.940 ( 6.287 0.000 0.000) 6.287 5.975 ( -1.096 -0.000 0.000) 1.096 6.047 ( 4.805 0.000 0.000) 4.805 6.114 ( 6.334 0.000 0.000) 6.334 6.197 ( -3.125 0.000 0.000) 3.125 6.220 ( 5.787 -0.000 0.000) 5.787 6.260 ( -1.648 -0.000 0.000) 1.648 6.268 ( -4.410 0.000 0.000) 4.410 6.355 ( 7.094 0.000 0.000) 7.094 6.360 ( 6.780 0.000 0.000) 6.780 6.447 ( 4.368 0.000 0.000) 4.368 6.492 ( -3.800 0.000 0.000) 3.800 6.626 ( 3.728 0.000 0.000) 3.728 6.712 ( 0.183 0.000 0.000) 0.183 6.744 ( 3.781 0.000 0.000) 3.781 6.816 ( 3.575 0.000 0.000) 3.575 6.843 ( -2.743 0.000 0.000) 2.743 6.868 ( -5.695 0.000 0.000) 5.695 6.992 ( 0.626 0.000 0.000) 0.626 7.085 ( -6.996 0.000 0.000) 6.996 7.144 ( 7.320 0.000 0.000) 7.320 7.213 ( -8.219 0.000 0.000) 8.219 7.263 ( -0.295 0.000 0.000) 0.295 7.420 ( -2.493 0.000 0.000) 2.493 7.441 ( 2.773 0.000 0.000) 2.773 7.458 ( -3.085 0.000 0.000) 3.085 7.630 ( -1.096 0.000 0.000) 1.096 7.702 ( 1.848 0.000 0.000) 1.848 7.752 ( -0.121 0.000 0.000) 0.121 7.768 ( -2.090 0.000 0.000) 2.090 7.814 ( -2.102 0.000 0.000) 2.102 7.903 ( -0.226 0.000 0.000) 0.226 8.022 ( -9.144 0.000 0.000) 9.144 8.050 ( -2.971 -0.000 0.000) 2.971 8.229 ( -1.905 0.000 0.000) 1.905 8.252 ( -1.646 -0.000 0.000) 1.646 8.292 ( 1.836 0.000 0.000) 1.836 8.488 ( -4.249 0.000 0.000) 4.249 8.553 ( -5.587 0.000 0.000) 5.587 8.600 ( -1.874 0.000 0.000) 1.874 8.634 ( -1.093 0.000 0.000) 1.093 8.712 ( -0.840 0.000 0.000) 0.840 8.760 ( 0.471 0.000 0.000) 0.471 8.804 ( -0.699 0.000 0.000) 0.699 8.817 ( -2.891 0.000 0.000) 2.891 8.924 ( 0.772 0.000 0.000) 0.772 9.022 ( -1.600 0.000 0.000) 1.600 9.100 ( -4.023 0.000 0.000) 4.023 9.107 ( -4.695 -0.000 0.000) 4.695 9.329 ( -5.771 0.000 0.000) 5.771 9.376 ( -3.883 0.000 0.000) 3.883 9.654 ( -9.337 0.000 0.000) 9.337 9.694 ( -10.102 0.000 0.000) 10.102 10.103 ( 7.134 0.000 0.000) 7.134 10.111 ( 5.182 0.000 0.000) 5.182 ======================= Grid point 21 (12/42) ======================= q-point: ( 0.31 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 2.101 0.000 0.000) 2.101 1.103 ( 1.263 -0.000 0.000) 1.263 1.112 ( -0.572 0.000 0.000) 0.572 1.220 ( -1.516 0.000 0.000) 1.516 1.265 ( -0.325 0.000 0.000) 0.325 1.278 ( -3.094 -0.000 0.000) 3.094 1.332 ( 0.164 0.000 0.000) 0.164 1.395 ( 1.836 0.000 0.000) 1.836 1.518 ( 4.962 0.000 0.000) 4.962 1.529 ( 4.895 -0.000 0.000) 4.895 1.578 ( 2.746 0.000 0.000) 2.746 1.607 ( -0.129 0.000 0.000) 0.129 1.696 ( 5.502 0.000 0.000) 5.502 1.831 ( 4.172 -0.000 0.000) 4.172 1.834 ( 5.611 0.000 0.000) 5.611 1.909 ( 8.297 0.000 0.000) 8.297 1.956 ( 7.764 -0.000 0.000) 7.764 1.957 ( 7.085 0.000 0.000) 7.085 2.063 ( 1.859 0.000 0.000) 1.859 2.077 ( 5.988 -0.000 0.000) 5.988 2.171 ( 4.991 0.000 0.000) 4.991 2.248 ( 5.742 0.000 0.000) 5.742 2.272 ( 3.144 0.000 0.000) 3.144 2.295 ( 5.363 0.000 0.000) 5.363 2.336 ( -0.419 -0.000 0.000) 0.419 2.357 ( 3.830 0.000 0.000) 3.830 2.503 ( 2.504 0.000 0.000) 2.504 2.617 ( -4.578 0.000 0.000) 4.578 2.627 ( 2.107 0.000 0.000) 2.107 2.658 ( 0.608 0.000 0.000) 0.608 2.694 ( -0.622 0.000 0.000) 0.622 2.744 ( -2.045 0.000 0.000) 2.045 2.755 ( 0.287 0.000 0.000) 0.287 2.856 ( 2.975 0.000 0.000) 2.975 2.940 ( -0.688 0.000 0.000) 0.688 3.007 ( 10.214 0.000 0.000) 10.214 3.196 ( 2.872 0.000 0.000) 2.872 3.309 ( -2.580 0.000 0.000) 2.580 3.403 ( 13.170 0.000 0.000) 13.170 3.434 ( 5.857 0.000 0.000) 5.857 3.464 ( 10.029 0.000 0.000) 10.029 3.486 ( 10.266 0.000 0.000) 10.266 3.604 ( 11.927 0.000 0.000) 11.927 3.632 ( 15.844 0.000 0.000) 15.844 3.751 ( 17.466 0.000 0.000) 17.466 3.780 ( 19.876 0.000 0.000) 19.876 3.830 ( 17.897 0.000 0.000) 17.897 4.041 ( 14.919 0.000 0.000) 14.919 4.165 ( -3.187 0.000 0.000) 3.187 4.314 ( -2.512 0.000 0.000) 2.512 4.367 ( 5.336 0.000 0.000) 5.336 4.418 ( 8.003 0.000 0.000) 8.003 4.449 ( 3.048 0.000 0.000) 3.048 4.465 ( 8.588 0.000 0.000) 8.588 4.546 ( 2.780 0.000 0.000) 2.780 4.674 ( -1.835 0.000 0.000) 1.835 4.846 ( 2.398 0.000 0.000) 2.398 5.139 ( 4.125 0.000 0.000) 4.125 5.257 ( -0.130 0.000 0.000) 0.130 5.293 ( 5.972 0.000 0.000) 5.972 5.447 ( -3.381 0.000 0.000) 3.381 5.590 ( -4.109 0.000 0.000) 4.109 5.819 ( 3.791 0.000 0.000) 3.791 5.878 ( -0.954 0.000 0.000) 0.954 5.964 ( 2.825 -0.000 0.000) 2.825 5.974 ( 2.599 0.000 0.000) 2.599 6.043 ( -4.219 0.000 0.000) 4.219 6.074 ( -0.033 0.000 0.000) 0.033 6.111 ( 8.692 0.000 0.000) 8.692 6.168 ( -1.221 0.000 0.000) 1.221 6.282 ( 2.506 0.000 0.000) 2.506 6.295 ( 1.604 -0.000 0.000) 1.604 6.348 ( 8.008 0.000 0.000) 8.008 6.404 ( -0.478 0.000 0.000) 0.478 6.438 ( -0.119 -0.000 0.000) 0.119 6.515 ( 6.756 0.000 0.000) 6.756 6.532 ( 1.621 0.000 0.000) 1.621 6.596 ( -3.846 0.000 0.000) 3.846 6.696 ( -5.875 0.000 0.000) 5.875 6.753 ( 1.097 0.000 0.000) 1.097 6.770 ( -3.830 0.000 0.000) 3.830 6.823 ( 3.076 0.000 0.000) 3.076 6.877 ( -0.381 0.000 0.000) 0.381 6.948 ( -4.841 0.000 0.000) 4.841 7.026 ( -9.145 0.000 0.000) 9.145 7.124 ( 9.586 0.000 0.000) 9.586 7.223 ( 0.275 0.000 0.000) 0.275 7.259 ( 0.432 0.000 0.000) 0.432 7.412 ( 1.509 0.000 0.000) 1.509 7.414 ( -1.213 0.000 0.000) 1.213 7.512 ( 4.244 0.000 0.000) 4.244 7.589 ( -2.874 0.000 0.000) 2.874 7.652 ( -4.851 0.000 0.000) 4.851 7.728 ( -1.653 0.000 0.000) 1.653 7.763 ( 0.345 0.000 0.000) 0.345 7.829 ( 1.679 0.000 0.000) 1.679 7.877 ( -2.888 0.000 0.000) 2.888 7.931 ( 2.853 0.000 0.000) 2.853 8.086 ( 4.181 0.000 0.000) 4.181 8.191 ( -2.005 0.000 0.000) 2.005 8.223 ( -1.393 0.000 0.000) 1.393 8.319 ( 0.848 0.000 0.000) 0.848 8.417 ( -2.767 0.000 0.000) 2.767 8.470 ( -2.587 0.000 0.000) 2.587 8.574 ( -0.527 0.000 0.000) 0.527 8.595 ( -2.473 0.000 0.000) 2.473 8.729 ( 2.140 0.000 0.000) 2.140 8.769 ( 0.621 0.000 0.000) 0.621 8.784 ( -0.149 0.000 0.000) 0.149 8.806 ( 0.567 0.000 0.000) 0.567 8.940 ( 0.453 0.000 0.000) 0.453 8.991 ( -1.848 0.000 0.000) 1.848 9.034 ( -2.380 0.000 0.000) 2.380 9.035 ( -2.194 -0.000 0.000) 2.194 9.229 ( -4.425 0.000 0.000) 4.425 9.297 ( -4.085 0.000 0.000) 4.085 9.466 ( -9.458 0.000 0.000) 9.458 9.493 ( -10.037 0.000 0.000) 10.037 10.194 ( 3.101 0.000 0.000) 3.101 10.219 ( 4.558 0.000 0.000) 4.558 ======================= Grid point 23 (13/42) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -2.839 0.000 0.000) 2.839 1.101 ( 0.262 -0.000 0.000) 0.262 1.104 ( -0.750 0.000 0.000) 0.750 1.161 ( -3.203 0.000 0.000) 3.203 1.184 ( -5.070 -0.000 0.000) 5.070 1.234 ( -2.791 0.000 0.000) 2.791 1.301 ( -2.605 0.000 0.000) 2.605 1.385 ( -2.570 0.000 0.000) 2.570 1.570 ( 0.542 0.000 0.000) 0.542 1.607 ( 2.201 0.000 0.000) 2.201 1.620 ( 2.938 0.000 0.000) 2.938 1.631 ( 2.431 0.000 0.000) 2.431 1.813 ( 6.021 0.000 0.000) 6.021 1.909 ( 2.857 0.000 0.000) 2.857 1.952 ( 5.028 0.000 0.000) 5.028 2.012 ( 3.423 0.000 0.000) 3.423 2.014 ( 0.585 -0.000 0.000) 0.585 2.113 ( 5.911 0.000 0.000) 5.911 2.142 ( 4.311 0.000 0.000) 4.311 2.178 ( 4.443 0.000 0.000) 4.443 2.260 ( 3.483 0.000 0.000) 3.483 2.277 ( -1.592 -0.000 0.000) 1.592 2.295 ( -0.118 0.000 0.000) 0.118 2.321 ( -0.194 0.000 0.000) 0.194 2.424 ( 2.059 0.000 0.000) 2.059 2.442 ( 4.948 0.000 0.000) 4.948 2.465 ( -5.811 0.000 0.000) 5.811 2.556 ( 2.973 0.000 0.000) 2.973 2.608 ( -2.473 0.000 0.000) 2.473 2.657 ( -1.337 0.000 0.000) 1.337 2.668 ( -0.631 -0.000 0.000) 0.631 2.695 ( -3.183 0.000 0.000) 3.183 2.715 ( -5.192 0.000 0.000) 5.192 2.887 ( 2.289 0.000 0.000) 2.289 2.962 ( 3.029 0.000 0.000) 3.029 3.099 ( -1.837 0.000 0.000) 1.837 3.285 ( 6.158 0.000 0.000) 6.158 3.288 ( 1.057 0.000 0.000) 1.057 3.584 ( 9.728 -0.000 0.000) 9.728 3.640 ( 9.591 0.000 0.000) 9.591 3.660 ( 7.897 -0.000 0.000) 7.897 3.660 ( 6.989 0.000 0.000) 6.989 3.843 ( 10.608 0.000 0.000) 10.608 3.872 ( 8.644 0.000 0.000) 8.644 3.969 ( -0.039 0.000 0.000) 0.039 4.062 ( 6.010 0.000 0.000) 6.010 4.084 ( 9.264 0.000 0.000) 9.264 4.210 ( 2.167 0.000 0.000) 2.167 4.257 ( 12.145 0.000 0.000) 12.145 4.338 ( 6.448 0.000 0.000) 6.448 4.455 ( -1.257 0.000 0.000) 1.257 4.499 ( 6.486 0.000 0.000) 6.486 4.537 ( 4.138 0.000 0.000) 4.138 4.545 ( 5.860 -0.000 0.000) 5.860 4.734 ( 11.454 0.000 0.000) 11.454 4.747 ( 7.340 0.000 0.000) 7.340 4.866 ( -0.708 0.000 0.000) 0.708 5.135 ( -7.562 0.000 0.000) 7.562 5.223 ( 1.345 0.000 0.000) 1.345 5.390 ( -0.061 0.000 0.000) 0.061 5.403 ( 2.747 0.000 0.000) 2.747 5.448 ( -9.099 0.000 0.000) 9.099 5.864 ( 0.907 0.000 0.000) 0.907 5.899 ( -3.078 0.000 0.000) 3.078 5.920 ( 4.962 -0.000 0.000) 4.962 6.029 ( 2.601 0.000 0.000) 2.601 6.064 ( -1.215 0.000 0.000) 1.215 6.076 ( 2.387 -0.000 0.000) 2.387 6.157 ( -0.205 0.000 0.000) 0.205 6.228 ( -1.931 0.000 0.000) 1.931 6.316 ( 4.891 0.000 0.000) 4.891 6.337 ( 3.852 0.000 0.000) 3.852 6.369 ( -2.503 -0.000 0.000) 2.503 6.451 ( 1.452 0.000 0.000) 1.452 6.468 ( -4.217 0.000 0.000) 4.217 6.497 ( 5.748 -0.000 0.000) 5.748 6.569 ( -1.540 0.000 0.000) 1.540 6.605 ( 0.370 0.000 0.000) 0.370 6.614 ( -2.979 0.000 0.000) 2.979 6.698 ( -0.942 0.000 0.000) 0.942 6.751 ( -1.729 0.000 0.000) 1.729 6.862 ( -4.034 0.000 0.000) 4.034 6.872 ( -1.316 0.000 0.000) 1.316 6.878 ( 1.656 0.000 0.000) 1.656 6.913 ( 0.731 0.000 0.000) 0.731 7.232 ( 0.941 0.000 0.000) 0.941 7.255 ( -0.251 0.000 0.000) 0.251 7.284 ( 5.262 -0.000 0.000) 5.262 7.412 ( 0.855 0.000 0.000) 0.855 7.422 ( -1.605 0.000 0.000) 1.605 7.549 ( -0.107 0.000 0.000) 0.107 7.585 ( 1.234 0.000 0.000) 1.234 7.596 ( -1.231 0.000 0.000) 1.231 7.648 ( -2.141 0.000 0.000) 2.141 7.773 ( 0.360 0.000 0.000) 0.360 7.869 ( 2.113 0.000 0.000) 2.113 7.897 ( 2.532 0.000 0.000) 2.532 8.007 ( 3.799 0.000 0.000) 3.799 8.152 ( 1.867 -0.000 0.000) 1.867 8.154 ( -1.415 0.000 0.000) 1.415 8.197 ( -1.069 0.000 0.000) 1.069 8.342 ( 1.893 0.000 0.000) 1.893 8.380 ( -1.042 0.000 0.000) 1.042 8.442 ( -0.565 0.000 0.000) 0.565 8.548 ( -2.036 0.000 0.000) 2.036 8.579 ( 0.677 0.000 0.000) 0.677 8.786 ( 3.501 0.000 0.000) 3.501 8.790 ( 1.566 0.000 0.000) 1.566 8.817 ( 3.282 0.000 0.000) 3.282 8.823 ( 1.085 0.000 0.000) 1.085 8.938 ( -0.378 0.000 0.000) 0.378 8.949 ( -2.038 -0.000 0.000) 2.038 9.007 ( -1.112 0.000 0.000) 1.112 9.011 ( -0.281 0.000 0.000) 0.281 9.150 ( -3.582 0.000 0.000) 3.582 9.214 ( -4.291 0.000 0.000) 4.291 9.287 ( -8.253 0.000 0.000) 8.253 9.301 ( -9.062 0.000 0.000) 9.062 10.236 ( 1.295 0.000 0.000) 1.295 10.286 ( 2.282 0.000 0.000) 2.282 ======================= Grid point 25 (14/42) ======================= q-point: ( 0.46 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -2.008 0.000 0.000) 2.008 1.081 ( -1.075 0.000 0.000) 1.075 1.100 ( -1.166 0.000 0.000) 1.166 1.116 ( -0.744 0.000 0.000) 0.744 1.120 ( -0.873 0.000 0.000) 0.873 1.176 ( -2.027 0.000 0.000) 2.027 1.255 ( -1.512 0.000 0.000) 1.512 1.342 ( -1.172 0.000 0.000) 1.172 1.572 ( -0.003 0.000 0.000) 0.003 1.646 ( 1.317 0.000 0.000) 1.317 1.666 ( 1.338 0.000 0.000) 1.338 1.667 ( 1.039 0.000 0.000) 1.039 1.901 ( 2.177 0.000 0.000) 2.177 1.939 ( 0.379 0.000 0.000) 0.379 1.986 ( 0.316 0.000 0.000) 0.316 2.052 ( 0.626 0.000 0.000) 0.626 2.059 ( 1.803 0.000 0.000) 1.803 2.184 ( 1.818 0.000 0.000) 1.818 2.191 ( 0.903 0.000 0.000) 0.903 2.233 ( -0.312 -0.000 0.000) 0.312 2.238 ( -1.349 0.000 0.000) 1.349 2.255 ( 1.793 0.000 0.000) 1.793 2.309 ( -2.925 0.000 0.000) 2.925 2.328 ( -2.419 0.000 0.000) 2.419 2.366 ( 3.569 0.000 0.000) 3.569 2.440 ( -0.307 0.000 0.000) 0.307 2.560 ( 2.623 0.000 0.000) 2.623 2.563 ( -0.956 0.000 0.000) 0.956 2.593 ( -2.874 0.000 0.000) 2.874 2.620 ( 0.266 0.000 0.000) 0.266 2.632 ( 0.106 -0.000 0.000) 0.106 2.652 ( -1.119 0.000 0.000) 1.119 2.673 ( 0.177 0.000 0.000) 0.177 2.932 ( 1.476 0.000 0.000) 1.476 3.016 ( 1.698 -0.000 0.000) 1.698 3.039 ( -2.515 0.000 0.000) 2.515 3.320 ( 1.282 0.000 0.000) 1.282 3.381 ( 2.766 -0.000 0.000) 2.766 3.743 ( 4.979 -0.000 0.000) 4.979 3.752 ( 2.515 0.000 0.000) 2.515 3.764 ( 2.458 0.000 0.000) 2.458 3.772 ( 3.278 0.000 0.000) 3.278 3.927 ( -1.382 0.000 0.000) 1.382 3.987 ( 2.297 0.000 0.000) 2.297 3.996 ( 4.345 0.000 0.000) 4.345 4.086 ( -0.749 0.000 0.000) 0.749 4.184 ( 1.611 0.000 0.000) 1.611 4.213 ( -0.537 0.000 0.000) 0.537 4.443 ( 1.130 0.000 0.000) 1.130 4.458 ( 5.076 0.000 0.000) 5.076 4.459 ( 3.331 -0.000 0.000) 3.331 4.586 ( 3.331 0.000 0.000) 3.331 4.642 ( 3.472 0.000 0.000) 3.472 4.646 ( 3.296 -0.000 0.000) 3.296 4.829 ( -1.948 0.000 0.000) 1.948 4.888 ( 5.347 0.000 0.000) 5.347 4.930 ( 6.603 0.000 0.000) 6.603 4.979 ( -5.645 0.000 0.000) 5.645 5.246 ( -0.366 0.000 0.000) 0.366 5.286 ( -4.909 0.000 0.000) 4.909 5.347 ( -2.028 0.000 0.000) 2.028 5.478 ( 2.308 0.000 0.000) 2.308 5.843 ( -1.642 0.000 0.000) 1.642 5.904 ( 2.229 0.000 0.000) 2.229 6.025 ( -2.012 0.000 0.000) 2.012 6.026 ( 2.907 -0.000 0.000) 2.907 6.071 ( 1.454 0.000 0.000) 1.454 6.116 ( 3.156 0.000 0.000) 3.156 6.147 ( -0.578 0.000 0.000) 0.578 6.173 ( -2.077 0.000 0.000) 2.077 6.328 ( -1.444 0.000 0.000) 1.444 6.339 ( -3.395 0.000 0.000) 3.395 6.424 ( 4.482 -0.000 0.000) 4.482 6.456 ( 3.675 0.000 0.000) 3.675 6.483 ( 1.146 0.000 0.000) 1.146 6.524 ( -4.287 0.000 0.000) 4.287 6.540 ( -1.501 -0.000 0.000) 1.501 6.548 ( -3.230 -0.000 0.000) 3.230 6.574 ( 1.064 0.000 0.000) 1.064 6.690 ( -2.424 0.000 0.000) 2.424 6.763 ( 4.674 0.000 0.000) 4.674 6.824 ( -0.109 0.000 0.000) 0.109 6.854 ( -3.049 -0.000 0.000) 3.049 6.882 ( 0.543 0.000 0.000) 0.543 6.952 ( 1.522 0.000 0.000) 1.522 7.231 ( -0.355 0.000 0.000) 0.355 7.290 ( 2.895 0.000 0.000) 2.895 7.351 ( 2.498 0.000 0.000) 2.498 7.365 ( -3.297 0.000 0.000) 3.297 7.405 ( -2.030 0.000 0.000) 2.030 7.563 ( 0.628 -0.000 0.000) 0.628 7.568 ( -0.231 0.000 0.000) 0.231 7.587 ( 0.106 -0.000 0.000) 0.106 7.675 ( 1.521 0.000 0.000) 1.521 7.775 ( -0.068 0.000 0.000) 0.068 7.901 ( 0.841 0.000 0.000) 0.841 7.938 ( 1.194 0.000 0.000) 1.194 8.051 ( 0.665 0.000 0.000) 0.665 8.143 ( 0.064 0.000 0.000) 0.064 8.162 ( -0.214 0.000 0.000) 0.214 8.187 ( -0.076 -0.000 0.000) 0.076 8.370 ( -0.084 0.000 0.000) 0.084 8.389 ( 1.965 0.000 0.000) 1.965 8.437 ( -0.020 0.000 0.000) 0.020 8.520 ( -0.759 0.000 0.000) 0.759 8.590 ( 0.324 0.000 0.000) 0.324 8.827 ( 1.638 0.000 0.000) 1.638 8.843 ( 0.620 -0.000 0.000) 0.620 8.859 ( 3.171 0.000 0.000) 3.171 8.893 ( 3.417 0.000 0.000) 3.417 8.921 ( -0.661 0.000 0.000) 0.661 8.927 ( -0.782 -0.000 0.000) 0.782 8.984 ( -1.004 0.000 0.000) 1.004 9.012 ( 0.100 0.000 0.000) 0.100 9.093 ( -1.741 0.000 0.000) 1.741 9.136 ( -3.038 0.000 0.000) 3.038 9.151 ( -4.964 0.000 0.000) 4.964 9.158 ( -3.902 0.000 0.000) 3.902 10.251 ( 0.285 0.000 0.000) 0.285 10.314 ( 0.653 0.000 0.000) 0.653 ======================= Grid point 39 (15/42) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 0.000 19.065) 19.065 0.470 ( 0.000 0.000 19.615) 19.615 0.785 ( 0.000 0.000 26.967) 26.967 0.920 ( 0.000 0.000 3.050) 3.050 0.940 ( 0.000 0.000 -0.414) 0.414 0.975 ( 0.000 0.000 2.956) 2.956 1.021 ( 0.000 0.000 1.849) 1.849 1.038 ( 0.000 0.000 -2.687) 2.687 1.069 ( 0.000 0.000 3.938) 3.938 1.231 ( 0.000 0.000 0.931) 0.931 1.291 ( 0.000 0.000 -6.312) 6.312 1.341 ( 0.000 0.000 1.935) 1.935 1.346 ( 0.000 0.000 -2.787) 2.787 1.367 ( 0.000 0.000 -2.175) 2.175 1.436 ( 0.000 0.000 -1.421) 1.421 1.459 ( 0.000 0.000 -0.992) 0.992 1.477 ( 0.000 0.000 -4.059) 4.059 1.519 ( 0.000 0.000 0.373) 0.373 1.558 ( 0.000 0.000 -0.837) 0.837 1.609 ( 0.000 0.000 -3.842) 3.842 1.655 ( 0.000 0.000 4.462) 4.462 1.751 ( 0.000 0.000 4.091) 4.091 1.807 ( 0.000 0.000 1.046) 1.046 1.907 ( 0.000 0.000 -0.944) 0.944 1.944 ( 0.000 0.000 4.524) 4.524 1.971 ( 0.000 0.000 -4.687) 4.687 2.018 ( 0.000 0.000 -1.819) 1.819 2.090 ( 0.000 0.000 -1.771) 1.771 2.108 ( 0.000 0.000 0.734) 0.734 2.110 ( 0.000 0.000 0.724) 0.724 2.227 ( 0.000 0.000 5.299) 5.299 2.338 ( 0.000 0.000 1.655) 1.655 2.381 ( 0.000 0.000 -10.178) 10.178 2.434 ( 0.000 0.000 -2.039) 2.039 2.542 ( 0.000 0.000 -5.645) 5.645 2.571 ( 0.000 0.000 -3.928) 3.928 2.691 ( 0.000 0.000 -0.906) 0.906 2.708 ( 0.000 0.000 -4.120) 4.120 2.948 ( 0.000 0.000 3.525) 3.525 2.980 ( 0.000 0.000 1.215) 1.215 3.103 ( 0.000 0.000 1.621) 1.621 3.197 ( 0.000 0.000 -2.868) 2.868 3.247 ( 0.000 0.000 -1.306) 1.306 3.369 ( 0.000 0.000 -3.278) 3.278 3.437 ( 0.000 0.000 0.814) 0.814 3.442 ( 0.000 0.000 0.600) 0.600 3.557 ( 0.000 0.000 -3.344) 3.344 3.571 ( 0.000 0.000 -0.931) 0.931 3.819 ( 0.000 0.000 4.168) 4.168 3.827 ( 0.000 0.000 3.499) 3.499 4.172 ( 0.000 0.000 3.774) 3.774 4.271 ( 0.000 0.000 1.335) 1.335 4.277 ( 0.000 0.000 1.030) 1.030 4.292 ( 0.000 0.000 0.532) 0.532 4.558 ( 0.000 0.000 0.577) 0.577 4.597 ( 0.000 0.000 -1.592) 1.592 4.730 ( 0.000 0.000 3.259) 3.259 4.892 ( 0.000 0.000 -3.390) 3.390 4.932 ( 0.000 0.000 -0.879) 0.879 4.943 ( 0.000 0.000 -1.231) 1.231 5.364 ( 0.000 0.000 1.246) 1.246 5.401 ( 0.000 0.000 6.343) 6.343 5.412 ( 0.000 0.000 -0.437) 0.437 5.547 ( 0.000 0.000 2.195) 2.195 5.598 ( 0.000 0.000 0.970) 0.970 5.612 ( 0.000 0.000 -0.227) 0.227 5.731 ( 0.000 0.000 0.483) 0.483 5.793 ( 0.000 0.000 0.042) 0.042 5.884 ( 0.000 0.000 -1.283) 1.283 5.905 ( 0.000 0.000 -2.555) 2.555 5.932 ( 0.000 0.000 -0.701) 0.701 5.958 ( 0.000 0.000 -2.800) 2.800 6.257 ( 0.000 0.000 0.545) 0.545 6.264 ( 0.000 0.000 0.205) 0.205 6.276 ( 0.000 0.000 2.721) 2.721 6.395 ( 0.000 0.000 2.132) 2.132 6.402 ( 0.000 0.000 -4.178) 4.178 6.476 ( 0.000 0.000 -0.997) 0.997 6.624 ( 0.000 0.000 2.832) 2.832 6.796 ( 0.000 0.000 -4.225) 4.225 6.832 ( 0.000 0.000 3.605) 3.605 6.966 ( 0.000 0.000 0.212) 0.212 6.993 ( 0.000 0.000 -0.809) 0.809 7.049 ( 0.000 0.000 -4.703) 4.703 7.053 ( 0.000 0.000 0.164) 0.164 7.166 ( 0.000 0.000 -1.339) 1.339 7.232 ( 0.000 0.000 5.449) 5.449 7.281 ( 0.000 0.000 3.016) 3.016 7.333 ( 0.000 0.000 0.331) 0.331 7.337 ( 0.000 0.000 0.209) 0.209 7.530 ( 0.000 0.000 2.292) 2.292 7.573 ( 0.000 0.000 -3.480) 3.480 7.660 ( 0.000 0.000 2.932) 2.932 7.832 ( 0.000 0.000 -6.379) 6.379 7.863 ( 0.000 0.000 -1.416) 1.416 7.967 ( 0.000 0.000 -0.600) 0.600 8.129 ( 0.000 0.000 2.333) 2.333 8.136 ( 0.000 0.000 1.180) 1.180 8.218 ( 0.000 0.000 1.905) 1.905 8.304 ( 0.000 0.000 -2.311) 2.311 8.475 ( 0.000 0.000 1.939) 1.939 8.529 ( 0.000 0.000 -0.137) 0.137 8.670 ( 0.000 0.000 0.375) 0.375 8.727 ( 0.000 0.000 -2.995) 2.995 8.780 ( 0.000 0.000 -0.533) 0.533 8.782 ( 0.000 0.000 -0.418) 0.418 8.863 ( 0.000 0.000 -0.145) 0.145 8.864 ( 0.000 0.000 0.008) 0.008 8.955 ( 0.000 0.000 -0.744) 0.744 8.978 ( 0.000 0.000 -1.291) 1.291 9.025 ( 0.000 0.000 0.949) 0.949 9.087 ( 0.000 0.000 -2.208) 2.208 9.339 ( 0.000 0.000 1.847) 1.847 9.340 ( 0.000 0.000 1.727) 1.727 9.576 ( 0.000 0.000 1.618) 1.618 9.606 ( 0.000 0.000 0.568) 0.568 9.638 ( 0.000 0.000 -0.576) 0.576 9.653 ( 0.000 0.000 -1.019) 1.019 10.049 ( 0.000 0.000 0.100) 0.100 10.090 ( 0.000 0.000 -1.389) 1.389 ======================= Grid point 40 (16/42) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 8.140 0.000 13.972) 16.170 0.600 ( 13.499 0.000 11.314) 17.613 0.885 ( 0.233 0.000 1.477) 1.496 0.962 ( 4.737 0.000 0.232) 4.743 1.018 ( 3.365 0.000 2.271) 4.060 1.026 ( 6.270 0.000 2.957) 6.933 1.083 ( 6.505 0.000 3.768) 7.518 1.112 ( 6.581 0.000 -2.251) 6.955 1.180 ( 15.727 0.000 14.042) 21.084 1.242 ( 1.510 0.000 -5.081) 5.301 1.305 ( -1.549 0.000 -2.370) 2.832 1.381 ( 6.016 0.000 0.150) 6.018 1.387 ( 2.639 0.000 -1.616) 3.095 1.471 ( 7.915 0.000 -0.723) 7.948 1.477 ( 3.781 0.000 -0.726) 3.850 1.500 ( 4.518 0.000 0.410) 4.537 1.526 ( 8.080 0.000 -0.951) 8.136 1.614 ( 2.645 0.000 -1.081) 2.857 1.647 ( 6.575 0.000 0.581) 6.600 1.703 ( 7.478 0.000 -0.087) 7.478 1.721 ( 6.145 0.000 1.631) 6.357 1.786 ( 10.698 0.000 -1.821) 10.851 1.898 ( 3.174 0.000 2.008) 3.756 1.909 ( 0.230 0.000 -0.406) 0.467 1.972 ( 4.809 0.000 -1.704) 5.102 2.014 ( 5.969 0.000 -0.293) 5.976 2.058 ( 5.829 0.000 -1.521) 6.024 2.130 ( 10.277 0.000 -2.180) 10.506 2.238 ( 7.227 0.000 4.797) 8.674 2.315 ( 13.163 0.000 1.895) 13.299 2.332 ( 14.906 0.000 -0.365) 14.911 2.370 ( 2.880 0.000 -2.160) 3.599 2.453 ( 7.652 0.000 0.273) 7.656 2.532 ( 7.737 0.000 -2.776) 8.220 2.580 ( 4.962 0.000 -4.136) 6.460 2.607 ( 3.916 0.000 -4.657) 6.085 2.654 ( -0.889 0.000 1.413) 1.670 2.708 ( 0.974 0.000 -3.589) 3.719 2.930 ( -0.769 0.000 2.153) 2.287 2.940 ( -2.274 0.000 1.759) 2.875 3.077 ( -2.134 0.000 1.103) 2.402 3.109 ( -4.746 0.000 -1.005) 4.851 3.234 ( -0.728 0.000 -1.087) 1.308 3.343 ( -1.949 0.000 -2.468) 3.144 3.476 ( 0.069 0.000 -1.375) 1.377 3.498 ( -2.038 0.000 -3.884) 4.387 3.633 ( 9.248 0.000 0.514) 9.262 3.668 ( 11.907 0.000 -3.686) 12.465 3.792 ( -3.416 0.000 2.837) 4.441 3.792 ( -2.868 0.000 3.290) 4.365 4.184 ( 2.147 0.000 4.753) 5.215 4.261 ( 0.213 0.000 1.497) 1.513 4.423 ( 10.334 0.000 0.607) 10.351 4.452 ( 10.490 0.000 1.263) 10.566 4.537 ( 1.220 0.000 0.891) 1.511 4.556 ( 1.308 0.000 1.400) 1.916 4.676 ( -3.619 0.000 4.314) 5.631 4.872 ( -0.465 0.000 -3.929) 3.957 5.010 ( 3.726 0.000 -0.640) 3.780 5.024 ( -1.026 0.000 -0.238) 1.053 5.323 ( 2.819 0.000 1.121) 3.033 5.337 ( -0.709 0.000 1.775) 1.911 5.513 ( 7.278 0.000 0.193) 7.281 5.596 ( 11.160 0.000 -4.755) 12.131 5.710 ( 1.244 0.000 0.320) 1.284 5.730 ( 7.625 0.000 4.135) 8.674 5.766 ( 0.801 0.000 -2.026) 2.179 5.866 ( 5.094 0.000 0.800) 5.156 5.921 ( 3.268 0.000 -2.217) 3.949 5.955 ( 3.718 0.000 -1.498) 4.008 5.991 ( 6.296 0.000 -2.972) 6.962 6.003 ( 6.725 0.000 -5.384) 8.615 6.259 ( 0.039 0.000 0.841) 0.841 6.274 ( 2.285 0.000 1.780) 2.896 6.318 ( 1.266 0.000 2.864) 3.131 6.398 ( -0.322 0.000 -2.190) 2.213 6.417 ( 3.665 0.000 0.313) 3.679 6.497 ( 2.120 0.000 -2.343) 3.160 6.706 ( 4.865 0.000 1.813) 5.192 6.784 ( -2.936 0.000 -0.825) 3.050 6.854 ( 0.520 0.000 2.361) 2.418 6.900 ( -4.119 0.000 -1.701) 4.457 6.910 ( -2.065 0.000 -0.966) 2.280 7.032 ( -3.830 0.000 -1.611) 4.155 7.058 ( -0.638 0.000 -1.650) 1.769 7.154 ( -0.170 0.000 -2.422) 2.428 7.285 ( 1.720 0.000 1.668) 2.396 7.302 ( 5.358 0.000 4.780) 7.181 7.397 ( 4.031 0.000 0.394) 4.050 7.427 ( 4.886 0.000 0.779) 4.947 7.514 ( -1.702 0.000 2.368) 2.916 7.574 ( 0.093 0.000 -5.399) 5.400 7.661 ( 0.403 0.000 1.975) 2.015 7.848 ( 1.049 0.000 -6.535) 6.618 7.871 ( 0.595 0.000 -1.667) 1.770 7.931 ( -3.399 0.000 -0.421) 3.425 8.082 ( -4.467 0.000 2.293) 5.021 8.130 ( -2.917 0.000 2.169) 3.635 8.196 ( 0.141 0.000 0.849) 0.860 8.285 ( -1.593 0.000 -1.416) 2.131 8.413 ( -5.640 0.000 1.646) 5.875 8.450 ( -7.936 0.000 -0.092) 7.936 8.653 ( -1.615 0.000 0.148) 1.621 8.704 ( -2.563 0.000 -3.271) 4.156 8.728 ( -5.142 0.000 -0.713) 5.191 8.750 ( -2.501 0.000 -0.970) 2.682 8.783 ( -5.143 0.000 3.655) 6.310 8.827 ( -3.259 0.000 -0.354) 3.278 8.898 ( -3.436 0.000 3.711) 5.057 8.923 ( -2.500 0.000 -0.388) 2.530 9.001 ( -2.224 0.000 1.293) 2.572 9.070 ( -1.610 0.000 -2.310) 2.816 9.283 ( -3.660 0.000 1.428) 3.929 9.297 ( -3.735 0.000 1.290) 3.952 9.528 ( -3.177 0.000 1.503) 3.515 9.593 ( -4.928 0.000 -0.794) 4.992 9.745 ( 8.473 0.000 -0.105) 8.474 9.776 ( 9.692 0.000 -2.720) 10.067 9.993 ( -4.923 0.000 0.250) 4.929 10.030 ( -5.723 0.000 -1.127) 5.833 ======================= Grid point 41 (17/42) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 13.011 0.000 2.730) 13.295 0.857 ( 10.044 0.000 3.243) 10.555 0.955 ( 7.515 0.000 -0.414) 7.527 1.043 ( 5.684 0.000 -2.639) 6.267 1.082 ( 3.691 0.000 2.497) 4.457 1.127 ( 4.527 0.000 -1.598) 4.801 1.217 ( 4.950 0.000 1.864) 5.290 1.259 ( 6.783 0.000 -2.001) 7.072 1.304 ( 2.655 0.000 -0.399) 2.684 1.320 ( 7.159 0.000 -2.392) 7.548 1.442 ( 2.269 0.000 -0.946) 2.459 1.482 ( 5.087 0.000 -2.102) 5.505 1.543 ( 2.943 0.000 3.591) 4.642 1.545 ( 10.144 0.000 2.548) 10.459 1.598 ( 10.742 0.000 2.371) 11.001 1.619 ( 6.907 0.000 -1.313) 7.030 1.694 ( 4.581 0.000 -1.198) 4.735 1.700 ( 5.101 0.000 1.406) 5.291 1.809 ( 11.779 0.000 -1.754) 11.909 1.812 ( 5.268 0.000 2.902) 6.014 1.934 ( 4.907 0.000 -1.161) 5.042 1.940 ( 8.126 0.000 1.023) 8.190 1.990 ( 3.350 0.000 0.138) 3.353 2.001 ( 7.022 0.000 -7.416) 10.214 2.054 ( 14.425 0.000 3.809) 14.920 2.248 ( 10.412 0.000 -2.466) 10.700 2.297 ( 16.325 0.000 -0.942) 16.352 2.347 ( 5.801 0.000 0.939) 5.877 2.416 ( 8.681 0.000 1.704) 8.846 2.452 ( 6.896 0.000 -0.008) 6.897 2.603 ( 9.552 0.000 0.427) 9.561 2.613 ( 10.269 0.000 2.643) 10.603 2.650 ( 8.541 0.000 -3.079) 9.079 2.656 ( 12.876 0.000 2.260) 13.073 2.735 ( 8.315 0.000 -2.367) 8.646 2.737 ( 13.168 0.000 2.122) 13.338 2.812 ( 9.345 0.000 -2.619) 9.705 2.814 ( 11.653 0.000 -1.606) 11.763 2.922 ( 2.943 0.000 1.880) 3.492 2.983 ( 8.017 0.000 -1.315) 8.124 3.055 ( 1.330 0.000 -1.185) 1.781 3.065 ( 4.069 0.000 -0.670) 4.124 3.246 ( 2.532 0.000 -0.735) 2.636 3.311 ( -0.526 0.000 -0.242) 0.579 3.454 ( -1.026 0.000 -2.941) 3.115 3.474 ( 2.005 0.000 -1.384) 2.437 3.698 ( -5.294 0.000 1.608) 5.533 3.701 ( -6.048 0.000 2.119) 6.408 3.887 ( 13.949 0.000 -0.445) 13.956 3.919 ( 13.107 0.000 -2.706) 13.383 4.264 ( 5.314 0.000 3.588) 6.412 4.275 ( 0.941 0.000 1.521) 1.789 4.446 ( -3.085 0.000 3.139) 4.401 4.462 ( -2.161 0.000 -0.096) 2.163 4.618 ( -1.442 0.000 5.740) 5.919 4.779 ( 9.632 0.000 0.001) 9.632 4.779 ( 11.736 0.000 2.022) 11.909 4.891 ( 4.324 0.000 -3.842) 5.784 4.960 ( 0.142 0.000 2.425) 2.429 5.012 ( -0.019 0.000 0.500) 0.501 5.443 ( 8.612 0.000 -1.489) 8.740 5.474 ( 9.523 0.000 -2.381) 9.816 5.620 ( 2.213 0.000 0.885) 2.383 5.743 ( 4.727 0.000 0.845) 4.802 5.778 ( 1.516 0.000 -3.671) 3.972 5.837 ( 8.897 0.000 -3.296) 9.487 5.902 ( 2.855 0.000 -0.217) 2.864 5.905 ( 6.758 0.000 1.852) 7.007 5.988 ( 3.493 0.000 -1.277) 3.719 6.063 ( 7.382 0.000 -0.392) 7.393 6.128 ( 6.006 0.000 -3.493) 6.948 6.183 ( 8.548 0.000 -4.280) 9.559 6.266 ( 0.804 0.000 2.485) 2.611 6.294 ( 1.016 0.000 1.876) 2.133 6.382 ( 3.988 0.000 1.454) 4.245 6.393 ( -0.005 0.000 -0.886) 0.886 6.501 ( 3.545 0.000 -1.096) 3.710 6.526 ( -0.734 0.000 -2.663) 2.762 6.715 ( 0.036 0.000 4.151) 4.151 6.733 ( -3.039 0.000 4.769) 5.655 6.823 ( 0.803 0.000 -0.319) 0.864 6.848 ( -3.232 0.000 -0.266) 3.243 6.955 ( 2.779 0.000 -1.005) 2.955 6.961 ( -2.070 0.000 -0.254) 2.085 7.059 ( 1.166 0.000 -1.730) 2.086 7.160 ( 0.113 0.000 -5.240) 5.242 7.308 ( 0.114 0.000 1.827) 1.831 7.356 ( 0.136 0.000 6.155) 6.157 7.418 ( -4.552 0.000 2.358) 5.126 7.445 ( 0.012 0.000 -1.562) 1.562 7.515 ( 0.630 0.000 0.398) 0.745 7.567 ( -1.137 0.000 -5.798) 5.909 7.682 ( 1.772 0.000 1.741) 2.484 7.826 ( -3.365 0.000 -1.352) 3.627 7.869 ( -1.804 0.000 0.107) 1.807 7.890 ( 0.495 0.000 -2.240) 2.294 7.976 ( -5.357 0.000 2.580) 5.946 8.027 ( -5.066 0.000 1.195) 5.205 8.199 ( -3.097 0.000 -0.629) 3.160 8.225 ( -8.335 0.000 -1.144) 8.413 8.283 ( -3.402 0.000 -0.307) 3.416 8.322 ( -0.721 0.000 1.166) 1.371 8.605 ( -3.284 0.000 -0.350) 3.303 8.607 ( -6.814 0.000 -2.792) 7.364 8.644 ( -3.272 0.000 -0.867) 3.385 8.704 ( -2.659 0.000 2.931) 3.957 8.707 ( -2.148 0.000 -2.812) 3.539 8.757 ( -2.924 0.000 -0.087) 2.926 8.854 ( -1.251 0.000 3.184) 3.421 8.878 ( -1.979 0.000 0.246) 1.995 8.951 ( -2.364 0.000 1.403) 2.749 9.031 ( -2.033 0.000 -2.369) 3.122 9.203 ( -4.276 0.000 0.585) 4.316 9.208 ( -4.904 0.000 1.045) 5.014 9.455 ( -3.946 0.000 0.849) 4.037 9.472 ( -6.662 0.000 0.156) 6.664 9.834 ( -7.033 0.000 0.475) 7.049 9.871 ( -7.082 0.000 -0.855) 7.133 9.939 ( 7.496 0.000 0.126) 7.497 9.976 ( 6.727 0.000 -1.533) 6.899 ======================= Grid point 42 (18/42) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 7.925 0.000 -0.444) 7.937 1.003 ( 5.480 0.000 -0.528) 5.505 1.111 ( 5.049 0.000 -0.412) 5.066 1.154 ( 3.548 0.000 -2.050) 4.098 1.164 ( 4.856 0.000 -1.229) 5.009 1.219 ( 4.476 0.000 -2.477) 5.116 1.299 ( 3.597 0.000 -0.735) 3.671 1.323 ( 2.384 0.000 -0.986) 2.579 1.446 ( 7.749 0.000 -0.338) 7.756 1.448 ( 0.864 0.000 0.265) 0.904 1.473 ( 6.427 0.000 -0.105) 6.428 1.554 ( 2.670 0.000 1.829) 3.236 1.608 ( 3.680 0.000 -0.354) 3.697 1.686 ( 5.498 0.000 0.500) 5.520 1.761 ( 6.665 0.000 0.256) 6.670 1.785 ( 4.918 0.000 -0.548) 4.948 1.803 ( 5.743 0.000 -0.628) 5.778 1.815 ( 8.945 0.000 -1.663) 9.098 1.917 ( 5.441 0.000 2.103) 5.834 2.003 ( 8.304 0.000 -3.491) 9.007 2.042 ( 5.156 0.000 -2.995) 5.963 2.052 ( 6.393 0.000 0.487) 6.411 2.105 ( 7.420 0.000 -1.158) 7.510 2.148 ( 7.830 0.000 -2.701) 8.283 2.341 ( -0.737 0.000 0.060) 0.739 2.372 ( 8.561 0.000 -0.123) 8.562 2.427 ( 5.178 0.000 2.998) 5.984 2.508 ( 10.447 0.000 1.094) 10.504 2.573 ( 4.666 0.000 0.131) 4.667 2.596 ( 6.414 0.000 -0.948) 6.484 2.688 ( 1.045 0.000 3.117) 3.288 2.719 ( 1.839 0.000 -0.457) 1.894 2.787 ( -1.261 0.000 -0.621) 1.406 2.815 ( 2.599 0.000 -0.878) 2.743 2.858 ( 6.998 0.000 0.488) 7.015 2.882 ( 3.927 0.000 0.959) 4.042 3.061 ( 9.973 0.000 -2.420) 10.262 3.117 ( 18.118 0.000 -1.603) 18.189 3.175 ( 18.900 0.000 1.085) 18.931 3.218 ( 14.942 0.000 0.649) 14.956 3.255 ( 14.377 0.000 2.526) 14.597 3.306 ( 14.514 0.000 -1.314) 14.573 3.368 ( 11.406 0.000 -0.914) 11.443 3.392 ( 11.465 0.000 4.151) 12.194 3.507 ( 5.752 0.000 -1.780) 6.021 3.582 ( 0.355 0.000 1.481) 1.523 3.588 ( -1.232 0.000 1.232) 1.742 3.648 ( 10.895 0.000 -3.463) 11.432 4.143 ( 10.120 0.000 -1.156) 10.186 4.173 ( 11.312 0.000 -2.716) 11.633 4.288 ( 0.893 0.000 1.984) 2.176 4.354 ( 2.347 0.000 0.163) 2.353 4.403 ( -0.355 0.000 3.493) 3.511 4.422 ( 0.345 0.000 2.086) 2.115 4.595 ( -1.789 0.000 4.127) 4.498 4.753 ( -5.779 0.000 -1.528) 5.977 4.846 ( 1.554 0.000 2.928) 3.315 5.010 ( 5.589 0.000 -2.885) 6.290 5.139 ( 10.672 0.000 2.268) 10.910 5.160 ( 9.868 0.000 1.408) 9.968 5.525 ( -1.578 0.000 1.370) 2.090 5.635 ( 4.299 0.000 -3.546) 5.573 5.689 ( 5.597 0.000 -0.906) 5.670 5.807 ( 3.342 0.000 -2.201) 4.001 5.831 ( 2.919 0.000 0.862) 3.043 5.912 ( 3.385 0.000 0.619) 3.441 6.031 ( 7.693 0.000 -1.355) 7.812 6.044 ( 5.206 0.000 -3.862) 6.482 6.067 ( 5.110 0.000 0.467) 5.131 6.192 ( 3.497 0.000 1.065) 3.655 6.208 ( -1.120 0.000 0.221) 1.141 6.262 ( 0.959 0.000 -2.666) 2.833 6.273 ( 2.630 0.000 2.228) 3.447 6.363 ( -1.242 0.000 2.495) 2.787 6.377 ( 3.923 0.000 -2.431) 4.615 6.439 ( 2.967 0.000 -0.726) 3.055 6.533 ( 0.705 0.000 1.441) 1.604 6.554 ( 3.778 0.000 -2.497) 4.528 6.706 ( 0.754 0.000 3.262) 3.348 6.766 ( 0.005 0.000 1.639) 1.639 6.790 ( 0.015 0.000 1.566) 1.566 6.825 ( -2.002 0.000 -1.009) 2.242 6.933 ( -0.377 0.000 -1.574) 1.618 6.953 ( -1.369 0.000 2.825) 3.140 7.097 ( -0.158 0.000 -2.692) 2.697 7.145 ( -1.991 0.000 -3.322) 3.873 7.269 ( -3.474 0.000 0.439) 3.502 7.342 ( 0.065 0.000 4.798) 4.798 7.356 ( -0.835 0.000 0.632) 1.047 7.398 ( -3.326 0.000 -1.912) 3.836 7.499 ( -1.184 0.000 2.136) 2.442 7.544 ( -0.540 0.000 -6.209) 6.233 7.725 ( 1.620 0.000 0.665) 1.751 7.770 ( -3.237 0.000 0.891) 3.357 7.796 ( -3.331 0.000 3.553) 4.870 7.862 ( -3.718 0.000 0.023) 3.719 7.933 ( 0.862 0.000 -0.042) 0.863 7.943 ( -5.185 0.000 1.390) 5.368 8.061 ( -4.247 0.000 -2.920) 5.154 8.127 ( -1.794 0.000 -5.672) 5.949 8.273 ( 0.606 0.000 2.527) 2.599 8.344 ( 0.919 0.000 2.080) 2.274 8.471 ( -5.823 0.000 -1.871) 6.116 8.531 ( -3.796 0.000 -0.232) 3.803 8.589 ( -2.174 0.000 -1.323) 2.545 8.646 ( -3.532 0.000 -1.946) 4.032 8.682 ( 0.262 0.000 0.969) 1.004 8.733 ( 0.079 0.000 -1.291) 1.293 8.836 ( -2.158 0.000 0.998) 2.378 8.841 ( -0.219 0.000 2.117) 2.129 8.926 ( -0.034 0.000 0.997) 0.997 8.997 ( -1.335 0.000 -2.073) 2.466 9.114 ( -4.178 0.000 1.205) 4.348 9.119 ( -4.079 0.000 0.168) 4.082 9.346 ( -5.752 0.000 1.140) 5.864 9.377 ( -3.954 0.000 0.402) 3.975 9.662 ( -9.431 0.000 0.273) 9.435 9.687 ( -9.926 0.000 -0.614) 9.945 10.100 ( 7.142 0.000 -0.038) 7.142 10.106 ( 5.751 0.000 -0.322) 5.760 ======================= Grid point 43 (19/42) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -0.177 0.000 -0.512) 0.542 1.070 ( 2.051 0.000 -0.594) 2.135 1.152 ( 0.339 0.000 -0.546) 0.643 1.171 ( -1.291 0.000 -0.099) 1.295 1.238 ( 1.723 0.000 -1.173) 2.084 1.257 ( -0.790 0.000 -2.271) 2.404 1.328 ( -0.286 0.000 -1.152) 1.187 1.365 ( 1.383 0.000 -2.010) 2.440 1.515 ( 4.858 0.000 0.003) 4.858 1.551 ( 2.412 0.000 -1.036) 2.625 1.563 ( 2.819 0.000 0.474) 2.859 1.596 ( 1.322 0.000 0.807) 1.549 1.705 ( 6.279 0.000 -0.773) 6.327 1.787 ( 5.168 0.000 -0.986) 5.261 1.857 ( 4.763 0.000 0.446) 4.784 1.910 ( 5.043 0.000 -2.465) 5.613 1.923 ( 7.970 0.000 1.409) 8.094 1.987 ( 8.289 0.000 -1.464) 8.417 2.026 ( 5.005 0.000 2.114) 5.433 2.134 ( 3.898 0.000 0.393) 3.917 2.144 ( 5.845 0.000 -2.386) 6.314 2.199 ( 6.344 0.000 0.056) 6.344 2.247 ( 7.311 0.000 -2.679) 7.786 2.282 ( 4.867 0.000 -2.605) 5.520 2.331 ( 0.947 0.000 2.999) 3.145 2.421 ( -0.370 0.000 -0.553) 0.666 2.525 ( 4.328 0.000 2.188) 4.850 2.594 ( -0.756 0.000 0.687) 1.022 2.615 ( -5.608 0.000 -0.379) 5.621 2.675 ( 0.981 0.000 -3.048) 3.202 2.677 ( -0.590 0.000 2.984) 3.042 2.738 ( 2.963 0.000 -0.472) 3.000 2.805 ( 1.800 0.000 -1.574) 2.391 2.805 ( 0.076 0.000 -1.307) 1.309 2.911 ( 0.870 0.000 1.344) 1.601 3.001 ( 2.495 0.000 -1.938) 3.159 3.212 ( 5.347 0.000 1.677) 5.604 3.311 ( 2.569 0.000 -3.072) 4.004 3.392 ( 3.532 0.000 2.981) 4.621 3.456 ( 9.589 0.000 0.940) 9.635 3.494 ( 11.691 0.000 3.170) 12.113 3.538 ( 10.214 0.000 2.651) 10.552 3.626 ( 14.207 0.000 1.247) 14.262 3.663 ( 10.235 0.000 0.734) 10.261 3.745 ( 20.439 0.000 -1.518) 20.495 3.767 ( 19.259 0.000 2.220) 19.387 3.837 ( 17.678 0.000 -1.469) 17.739 3.964 ( 15.021 0.000 -3.848) 15.506 4.201 ( -0.327 0.000 0.861) 0.921 4.258 ( -1.336 0.000 -1.847) 2.279 4.375 ( 5.271 0.000 1.434) 5.463 4.429 ( 4.818 0.000 -0.113) 4.819 4.461 ( 5.420 0.000 2.182) 5.842 4.514 ( 6.288 0.000 0.734) 6.331 4.560 ( 1.429 0.000 1.279) 1.918 4.654 ( -2.400 0.000 -1.232) 2.698 4.901 ( 2.852 0.000 4.192) 5.070 5.121 ( 4.266 0.000 -3.579) 5.568 5.268 ( 0.666 0.000 0.389) 0.771 5.275 ( 2.825 0.000 0.896) 2.964 5.469 ( -2.003 0.000 4.341) 4.781 5.615 ( -4.099 0.000 -2.335) 4.717 5.763 ( 1.524 0.000 0.353) 1.564 5.901 ( 4.599 0.000 1.618) 4.876 5.919 ( 5.074 0.000 -1.209) 5.216 5.984 ( 2.924 0.000 -1.633) 3.349 6.088 ( -0.880 0.000 0.159) 0.894 6.110 ( -4.597 0.000 1.786) 4.931 6.162 ( 6.071 0.000 1.191) 6.187 6.170 ( -1.188 0.000 2.975) 3.204 6.208 ( 5.674 0.000 0.325) 5.683 6.287 ( 1.881 0.000 -3.783) 4.225 6.362 ( 5.099 0.000 -1.740) 5.387 6.399 ( 0.805 0.000 -1.249) 1.486 6.411 ( 2.872 0.000 3.802) 4.765 6.515 ( 0.764 0.000 -1.972) 2.115 6.546 ( 1.275 0.000 -0.934) 1.581 6.595 ( 0.298 0.000 -1.379) 1.411 6.711 ( 0.679 0.000 -0.968) 1.182 6.730 ( -2.888 0.000 -2.683) 3.942 6.760 ( -2.801 0.000 0.824) 2.920 6.793 ( -0.801 0.000 2.390) 2.521 6.914 ( -3.951 0.000 3.673) 5.395 6.980 ( 3.375 0.000 -3.333) 4.743 7.035 ( -2.495 0.000 0.550) 2.555 7.059 ( -5.666 0.000 3.055) 6.437 7.239 ( 0.435 0.000 -2.685) 2.720 7.345 ( 0.090 0.000 -4.200) 4.201 7.366 ( 1.102 0.000 2.556) 2.783 7.405 ( 2.336 0.000 3.372) 4.102 7.503 ( 2.223 0.000 0.796) 2.361 7.529 ( -1.323 0.000 -3.907) 4.125 7.678 ( -4.596 0.000 -2.781) 5.372 7.717 ( -1.534 0.000 0.721) 1.695 7.765 ( -3.206 0.000 1.539) 3.556 7.817 ( -0.143 0.000 0.679) 0.694 7.852 ( -0.525 0.000 0.861) 1.009 7.968 ( 2.947 0.000 -2.202) 3.679 8.062 ( 1.977 0.000 -2.682) 3.331 8.117 ( -0.268 0.000 -4.374) 4.382 8.290 ( 0.898 0.000 3.978) 4.078 8.337 ( -1.065 0.000 1.495) 1.836 8.399 ( -1.689 0.000 -0.081) 1.691 8.467 ( -2.456 0.000 -0.197) 2.464 8.563 ( -0.318 0.000 -1.091) 1.136 8.586 ( -2.300 0.000 -0.382) 2.331 8.706 ( 2.008 0.000 -0.422) 2.052 8.743 ( 0.661 0.000 -1.952) 2.061 8.807 ( -0.371 0.000 1.371) 1.420 8.841 ( 0.287 0.000 1.381) 1.410 8.933 ( 0.318 0.000 0.776) 0.839 8.977 ( -0.805 0.000 -1.343) 1.566 9.047 ( -2.978 0.000 -0.192) 2.984 9.051 ( -2.089 0.000 1.131) 2.375 9.245 ( -4.524 0.000 1.614) 4.804 9.297 ( -4.060 0.000 0.325) 4.073 9.473 ( -9.393 0.000 0.149) 9.394 9.489 ( -9.896 0.000 -0.400) 9.904 10.198 ( 3.453 0.000 0.382) 3.474 10.215 ( 4.489 0.000 -0.264) 4.497 ======================= Grid point 44 (20/42) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -4.403 0.000 -2.125) 4.889 1.038 ( -4.456 0.000 -3.613) 5.737 1.139 ( -1.722 0.000 0.598) 1.823 1.150 ( -0.629 0.000 0.584) 0.858 1.228 ( -1.140 0.000 1.521) 1.901 1.239 ( -1.186 0.000 0.921) 1.502 1.309 ( -1.241 0.000 0.422) 1.311 1.359 ( -1.563 0.000 -1.861) 2.430 1.572 ( 0.544 0.000 -0.365) 0.655 1.585 ( 2.109 0.000 -0.504) 2.169 1.618 ( 2.870 0.000 -0.552) 2.922 1.626 ( 2.165 0.000 -0.581) 2.242 1.833 ( 5.647 0.000 0.423) 5.662 1.875 ( 3.155 0.000 -1.042) 3.322 1.950 ( 4.286 0.000 0.259) 4.294 2.006 ( 4.574 0.000 -1.422) 4.790 2.081 ( 6.013 0.000 3.034) 6.735 2.106 ( 4.078 0.000 2.431) 4.748 2.128 ( 5.311 0.000 -0.338) 5.322 2.191 ( 2.280 0.000 1.041) 2.506 2.230 ( 1.435 0.000 -0.916) 1.703 2.255 ( 1.588 0.000 -0.808) 1.782 2.310 ( -1.410 0.000 -0.430) 1.475 2.368 ( -1.384 0.000 -3.263) 3.544 2.400 ( 4.268 0.000 -0.260) 4.276 2.423 ( 6.501 0.000 -0.849) 6.556 2.465 ( -7.174 0.000 2.229) 7.512 2.583 ( -0.050 0.000 -1.487) 1.488 2.594 ( 2.260 0.000 1.571) 2.752 2.655 ( -1.395 0.000 -1.549) 2.084 2.656 ( -1.719 0.000 3.343) 3.759 2.725 ( -3.867 0.000 1.022) 4.000 2.754 ( -5.330 0.000 2.374) 5.835 2.835 ( 2.109 0.000 -0.181) 2.117 2.975 ( 4.151 0.000 -2.366) 4.778 3.034 ( 1.181 0.000 -5.370) 5.498 3.210 ( -0.848 0.000 1.090) 1.381 3.336 ( 1.828 0.000 -4.429) 4.792 3.577 ( 10.350 0.000 3.435) 10.905 3.643 ( 7.865 0.000 0.201) 7.868 3.682 ( 6.759 0.000 1.750) 6.982 3.721 ( 7.704 0.000 2.226) 8.019 3.856 ( 8.271 0.000 0.579) 8.291 3.867 ( 9.393 0.000 -0.170) 9.394 3.980 ( 1.816 0.000 1.666) 2.465 4.078 ( 9.868 0.000 1.823) 10.035 4.103 ( 6.191 0.000 -1.729) 6.428 4.163 ( 5.851 0.000 -1.327) 5.999 4.284 ( 6.920 0.000 1.051) 6.999 4.305 ( 10.327 0.000 -0.551) 10.342 4.480 ( 2.176 0.000 0.480) 2.229 4.484 ( 1.100 0.000 -0.641) 1.273 4.517 ( 4.703 0.000 0.722) 4.758 4.568 ( 4.663 0.000 -0.723) 4.718 4.725 ( 7.561 0.000 -0.215) 7.564 4.738 ( 9.840 0.000 -1.109) 9.903 4.921 ( -1.211 0.000 4.004) 4.183 5.099 ( -5.810 0.000 -3.031) 6.553 5.267 ( -0.254 0.000 -1.240) 1.265 5.270 ( -2.232 0.000 -0.443) 2.275 5.467 ( 1.446 0.000 3.832) 4.095 5.534 ( -3.225 0.000 0.161) 3.229 5.781 ( 1.064 0.000 4.241) 4.372 5.941 ( -4.010 0.000 -0.701) 4.071 5.985 ( 3.132 0.000 1.462) 3.456 5.995 ( 1.934 0.000 0.609) 2.028 6.046 ( -1.334 0.000 2.525) 2.856 6.128 ( 3.246 0.000 -1.979) 3.802 6.158 ( 0.974 0.000 4.715) 4.814 6.269 ( 3.675 0.000 0.790) 3.759 6.296 ( 1.525 0.000 -1.872) 2.414 6.338 ( 2.209 0.000 -1.243) 2.535 6.409 ( -0.969 0.000 1.722) 1.975 6.415 ( 1.960 0.000 1.109) 2.252 6.472 ( 4.225 0.000 -2.010) 4.679 6.496 ( -0.367 0.000 -3.389) 3.409 6.572 ( -3.127 0.000 1.860) 3.638 6.586 ( 1.260 0.000 -1.690) 2.108 6.648 ( -3.095 0.000 -1.203) 3.321 6.714 ( -2.441 0.000 -1.284) 2.758 6.746 ( 0.663 0.000 -1.969) 2.078 6.758 ( -2.662 0.000 2.750) 3.827 6.834 ( -0.933 0.000 -2.674) 2.833 6.924 ( -5.494 0.000 3.407) 6.464 7.058 ( 3.179 0.000 4.021) 5.126 7.063 ( 2.854 0.000 -3.757) 4.718 7.265 ( 2.057 0.000 -1.267) 2.417 7.354 ( -0.131 0.000 -2.958) 2.961 7.373 ( -0.416 0.000 2.407) 2.443 7.403 ( -1.156 0.000 0.769) 1.388 7.502 ( -1.709 0.000 -2.734) 3.224 7.571 ( 0.848 0.000 -0.759) 1.138 7.621 ( -2.633 0.000 -1.792) 3.185 7.643 ( 1.144 0.000 -3.861) 4.027 7.773 ( 2.535 0.000 3.186) 4.072 7.839 ( 1.612 0.000 1.290) 2.064 7.879 ( 1.677 0.000 0.533) 1.760 8.031 ( 2.717 0.000 -4.024) 4.856 8.093 ( 0.967 0.000 -3.019) 3.170 8.100 ( -1.391 0.000 -2.555) 2.909 8.309 ( 1.196 0.000 3.280) 3.491 8.323 ( -0.455 0.000 1.343) 1.418 8.382 ( -0.206 0.000 0.584) 0.619 8.436 ( -0.767 0.000 0.034) 0.768 8.557 ( -0.759 0.000 1.285) 1.492 8.575 ( 1.256 0.000 -0.848) 1.516 8.757 ( 3.047 0.000 -1.249) 3.293 8.762 ( 1.476 0.000 -1.779) 2.311 8.825 ( 2.069 0.000 0.797) 2.218 8.857 ( 1.188 0.000 0.856) 1.464 8.935 ( 0.011 0.000 1.248) 1.248 8.960 ( -0.945 0.000 -0.189) 0.964 9.003 ( -1.313 0.000 -0.402) 1.373 9.027 ( -0.592 0.000 0.470) 0.756 9.163 ( -3.765 0.000 1.567) 4.078 9.214 ( -4.282 0.000 0.458) 4.306 9.296 ( -8.125 0.000 0.078) 8.126 9.300 ( -8.913 0.000 -0.099) 8.914 10.246 ( 1.510 0.000 0.817) 1.717 10.281 ( 2.211 0.000 -0.466) 2.259 ======================= Grid point 45 (21/42) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -2.486 0.000 -3.395) 4.208 0.957 ( -2.599 0.000 -5.295) 5.899 1.102 ( -1.411 0.000 -0.041) 1.411 1.125 ( -1.291 0.000 -0.447) 1.366 1.218 ( -0.170 0.000 3.122) 3.126 1.219 ( -0.426 0.000 3.760) 3.784 1.292 ( -0.411 0.000 2.682) 2.713 1.334 ( -0.646 0.000 -0.618) 0.894 1.584 ( 0.501 0.000 0.545) 0.740 1.614 ( 0.789 0.000 -0.760) 1.095 1.660 ( 1.144 0.000 -0.738) 1.362 1.666 ( 1.333 0.000 -0.998) 1.665 1.907 ( 1.654 0.000 -0.634) 1.771 1.911 ( 0.755 0.000 -0.689) 1.022 2.023 ( 2.699 0.000 2.934) 3.987 2.072 ( 1.506 0.000 1.914) 2.435 2.105 ( -0.506 0.000 2.862) 2.906 2.183 ( 0.214 0.000 0.075) 0.227 2.202 ( 1.629 0.000 1.578) 2.268 2.215 ( 0.766 0.000 -1.138) 1.372 2.231 ( -1.113 0.000 -1.267) 1.686 2.262 ( 2.132 0.000 -0.001) 2.132 2.266 ( -2.410 0.000 -1.995) 3.129 2.364 ( -3.204 0.000 3.282) 4.587 2.375 ( 3.503 0.000 -2.481) 4.292 2.476 ( 2.587 0.000 2.434) 3.552 2.528 ( -1.313 0.000 -1.800) 2.228 2.561 ( 1.106 0.000 -2.096) 2.369 2.601 ( -1.616 0.000 2.647) 3.101 2.636 ( 0.425 0.000 2.978) 3.009 2.639 ( 0.120 0.000 -0.510) 0.524 2.662 ( -2.839 0.000 0.786) 2.946 2.675 ( -0.416 0.000 0.486) 0.639 2.865 ( 0.356 0.000 -2.813) 2.835 3.028 ( -0.729 0.000 -1.212) 1.414 3.037 ( 1.718 0.000 -1.855) 2.528 3.227 ( 1.249 0.000 -1.258) 1.773 3.378 ( 1.591 0.000 -5.607) 5.828 3.726 ( 4.404 0.000 1.179) 4.559 3.742 ( 2.253 0.000 -0.488) 2.305 3.760 ( 1.239 0.000 1.458) 1.913 3.832 ( 3.015 0.000 1.274) 3.273 3.966 ( 0.518 0.000 3.307) 3.347 3.978 ( 1.958 0.000 0.150) 1.964 3.992 ( 3.201 0.000 -0.667) 3.269 4.120 ( -0.195 0.000 -0.031) 0.197 4.209 ( 2.582 0.000 1.799) 3.147 4.214 ( 0.480 0.000 1.306) 1.392 4.420 ( 3.624 0.000 -0.238) 3.631 4.432 ( 1.095 0.000 -0.607) 1.252 4.520 ( 2.183 0.000 -1.422) 2.605 4.529 ( 3.922 0.000 -0.005) 3.922 4.633 ( 3.949 0.000 -0.180) 3.954 4.661 ( 3.225 0.000 -0.685) 3.297 4.843 ( -1.496 0.000 1.574) 2.171 4.866 ( 5.316 0.000 -0.804) 5.376 4.917 ( 3.508 0.000 -1.054) 3.663 4.986 ( -4.150 0.000 -3.332) 5.322 5.227 ( -2.035 0.000 1.767) 2.696 5.227 ( -2.132 0.000 1.811) 2.797 5.494 ( -0.955 0.000 0.859) 1.284 5.502 ( 1.216 0.000 -0.235) 1.239 5.817 ( 1.909 0.000 5.476) 5.799 5.871 ( -2.103 0.000 -0.348) 2.131 6.022 ( 0.599 0.000 0.819) 1.015 6.024 ( 1.068 0.000 2.456) 2.679 6.048 ( 0.651 0.000 1.737) 1.855 6.180 ( 0.685 0.000 4.169) 4.225 6.185 ( 2.500 0.000 -0.822) 2.632 6.274 ( -2.494 0.000 -4.114) 4.811 6.277 ( -1.548 0.000 -0.117) 1.553 6.390 ( 2.982 0.000 0.364) 3.004 6.392 ( 0.174 0.000 5.331) 5.334 6.477 ( -1.511 0.000 0.148) 1.518 6.488 ( 3.505 0.000 -0.759) 3.586 6.495 ( -2.143 0.000 0.044) 2.143 6.557 ( 2.310 0.000 0.354) 2.337 6.573 ( -2.502 0.000 -0.384) 2.531 6.612 ( -0.990 0.000 -1.421) 1.732 6.674 ( 0.514 0.000 -4.528) 4.557 6.711 ( -2.275 0.000 0.736) 2.391 6.757 ( -0.167 0.000 3.892) 3.895 6.847 ( -1.764 0.000 -2.088) 2.733 6.848 ( 0.924 0.000 -3.317) 3.444 7.103 ( 1.039 0.000 -3.907) 4.043 7.112 ( 1.655 0.000 4.023) 4.350 7.315 ( 2.644 0.000 -0.353) 2.667 7.334 ( -0.852 0.000 -2.492) 2.633 7.356 ( -1.270 0.000 0.956) 1.590 7.400 ( 0.222 0.000 2.352) 2.363 7.471 ( -0.985 0.000 -7.273) 7.339 7.494 ( -3.173 0.000 -1.814) 3.655 7.669 ( 2.053 0.000 -0.563) 2.129 7.675 ( 1.157 0.000 -1.354) 1.781 7.817 ( 1.388 0.000 4.587) 4.793 7.863 ( 0.627 0.000 2.049) 2.143 7.904 ( 0.740 0.000 -1.209) 1.418 8.061 ( 0.491 0.000 -4.860) 4.885 8.073 ( -0.914 0.000 -2.042) 2.237 8.104 ( 0.228 0.000 -3.247) 3.255 8.314 ( -0.344 0.000 1.662) 1.697 8.337 ( 1.126 0.000 1.038) 1.531 8.386 ( 0.278 0.000 0.658) 0.714 8.428 ( -0.132 0.000 0.147) 0.197 8.549 ( -0.109 0.000 2.499) 2.501 8.600 ( 0.923 0.000 -0.160) 0.937 8.794 ( 1.184 0.000 -1.579) 1.974 8.824 ( 3.523 0.000 -1.460) 3.814 8.871 ( -0.391 0.000 -0.542) 0.668 8.880 ( 2.604 0.000 -0.012) 2.604 8.928 ( -1.865 0.000 -0.031) 1.865 8.935 ( -0.006 0.000 1.419) 1.419 9.012 ( 1.728 0.000 1.608) 2.361 9.026 ( 0.418 0.000 0.769) 0.875 9.098 ( -2.403 0.000 0.838) 2.545 9.139 ( -2.535 0.000 0.165) 2.540 9.152 ( -5.024 0.000 0.348) 5.036 9.165 ( -4.507 0.000 -0.038) 4.507 10.263 ( 0.362 0.000 1.050) 1.111 10.308 ( 0.623 0.000 -0.590) 0.858 ======================= Grid point 52 (22/42) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 -0.000 9.181) 9.181 0.647 ( 0.000 0.000 11.663) 11.663 0.705 ( 0.000 -0.000 9.638) 9.638 0.707 ( 0.000 0.000 9.271) 9.271 1.012 ( 0.000 0.000 -2.072) 2.072 1.018 ( 0.000 0.000 2.099) 2.099 1.030 ( 0.000 0.000 -2.339) 2.339 1.074 ( 0.000 -0.000 -1.814) 1.814 1.171 ( 0.000 0.000 4.402) 4.402 1.242 ( 0.000 -0.000 4.892) 4.892 1.264 ( 0.000 0.000 1.634) 1.634 1.292 ( 0.000 0.000 10.611) 10.611 1.292 ( 0.000 0.000 1.527) 1.527 1.382 ( 0.000 0.000 -0.025) 0.025 1.395 ( 0.000 0.000 -0.655) 0.655 1.431 ( 0.000 0.000 -2.053) 2.053 1.495 ( 0.000 0.000 -2.053) 2.053 1.537 ( 0.000 0.000 -0.954) 0.954 1.538 ( 0.000 0.000 -4.718) 4.718 1.607 ( 0.000 0.000 -3.994) 3.994 1.621 ( 0.000 0.000 4.514) 4.514 1.723 ( 0.000 0.000 4.785) 4.785 1.791 ( 0.000 0.000 1.709) 1.709 1.896 ( 0.000 0.000 0.951) 0.951 1.929 ( 0.000 0.000 4.781) 4.781 1.971 ( 0.000 0.000 -4.670) 4.670 1.989 ( 0.000 0.000 -1.775) 1.775 2.036 ( 0.000 0.000 -3.907) 3.907 2.105 ( 0.000 0.000 0.787) 0.787 2.127 ( 0.000 0.000 0.374) 0.374 2.297 ( 0.000 0.000 -9.392) 9.392 2.334 ( 0.000 0.000 1.803) 1.803 2.407 ( 0.000 0.000 0.836) 0.836 2.433 ( 0.000 0.000 -2.060) 2.060 2.575 ( 0.000 -0.000 -9.741) 9.741 2.604 ( 0.000 0.000 -1.170) 1.170 2.737 ( 0.000 0.000 -0.582) 0.582 2.805 ( 0.000 0.000 0.061) 0.061 2.880 ( 0.000 0.000 -4.067) 4.067 2.965 ( 0.000 0.000 -2.196) 2.196 3.066 ( 0.000 -0.000 2.279) 2.279 3.069 ( 0.000 0.000 2.592) 2.592 3.287 ( 0.000 0.000 0.351) 0.351 3.365 ( 0.000 0.000 -3.155) 3.155 3.438 ( 0.000 0.000 0.769) 0.769 3.440 ( 0.000 0.000 0.657) 0.657 3.545 ( 0.000 0.000 -1.273) 1.273 3.581 ( 0.000 0.000 -3.531) 3.531 3.829 ( 0.000 0.000 3.353) 3.353 3.847 ( 0.000 0.000 2.906) 2.906 4.208 ( 0.000 0.000 5.430) 5.430 4.260 ( 0.000 0.000 1.040) 1.040 4.271 ( 0.000 0.000 1.218) 1.218 4.298 ( 0.000 0.000 0.332) 0.332 4.545 ( 0.000 0.000 2.891) 2.891 4.589 ( 0.000 0.000 -1.338) 1.338 4.729 ( 0.000 0.000 1.784) 1.784 4.913 ( 0.000 0.000 -5.305) 5.305 4.939 ( 0.000 0.000 -0.916) 0.916 4.942 ( 0.000 -0.000 -1.158) 1.158 5.356 ( 0.000 0.000 1.266) 1.266 5.402 ( 0.000 0.000 10.211) 10.211 5.414 ( 0.000 0.000 -0.759) 0.759 5.497 ( 0.000 0.000 2.644) 2.644 5.591 ( 0.000 0.000 0.061) 0.061 5.604 ( 0.000 0.000 -0.015) 0.015 5.712 ( 0.000 0.000 2.627) 2.627 5.854 ( 0.000 0.000 0.658) 0.658 5.883 ( 0.000 0.000 0.561) 0.561 5.890 ( 0.000 0.000 -2.660) 2.660 5.945 ( 0.000 0.000 -2.555) 2.555 5.971 ( 0.000 0.000 -6.247) 6.247 6.241 ( 0.000 0.000 4.880) 4.880 6.257 ( 0.000 0.000 0.542) 0.542 6.264 ( 0.000 0.000 0.214) 0.214 6.297 ( 0.000 0.000 0.048) 0.048 6.395 ( 0.000 0.000 2.142) 2.142 6.477 ( 0.000 0.000 -0.986) 0.986 6.698 ( 0.000 0.000 1.089) 1.089 6.786 ( 0.000 0.000 -3.103) 3.103 6.942 ( 0.000 0.000 -2.014) 2.014 6.966 ( 0.000 0.000 0.211) 0.211 6.993 ( 0.000 0.000 -0.816) 0.816 7.012 ( 0.000 0.000 0.356) 0.356 7.056 ( 0.000 0.000 -2.963) 2.963 7.159 ( 0.000 0.000 1.932) 1.932 7.249 ( 0.000 0.000 -0.092) 0.092 7.253 ( 0.000 0.000 5.844) 5.844 7.332 ( 0.000 0.000 0.385) 0.385 7.338 ( 0.000 0.000 0.158) 0.158 7.457 ( 0.000 0.000 0.877) 0.877 7.559 ( 0.000 0.000 0.870) 0.870 7.696 ( 0.000 0.000 1.413) 1.413 7.726 ( 0.000 0.000 0.095) 0.095 7.944 ( 0.000 -0.000 -4.251) 4.251 7.950 ( 0.000 0.000 1.327) 1.327 8.046 ( 0.000 0.000 0.072) 0.072 8.077 ( 0.000 0.000 6.407) 6.407 8.284 ( 0.000 0.000 -2.435) 2.435 8.332 ( 0.000 0.000 -7.661) 7.661 8.460 ( 0.000 0.000 2.045) 2.045 8.598 ( 0.000 0.000 0.661) 0.661 8.690 ( 0.000 0.000 -2.037) 2.037 8.706 ( 0.000 0.000 0.928) 0.928 8.742 ( 0.000 0.000 2.504) 2.504 8.800 ( 0.000 0.000 -0.801) 0.801 8.846 ( 0.000 0.000 -0.120) 0.120 8.864 ( 0.000 0.000 1.854) 1.854 8.973 ( 0.000 0.000 -0.286) 0.286 8.980 ( 0.000 -0.000 -4.053) 4.053 9.050 ( 0.000 0.000 -0.883) 0.883 9.109 ( 0.000 0.000 -1.543) 1.543 9.345 ( 0.000 0.000 1.343) 1.343 9.361 ( 0.000 0.000 1.107) 1.107 9.574 ( 0.000 0.000 0.605) 0.605 9.606 ( 0.000 0.000 0.568) 0.568 9.638 ( 0.000 0.000 -0.576) 0.576 9.641 ( 0.000 0.000 -2.158) 2.158 10.043 ( 0.000 0.000 0.655) 0.655 10.112 ( 0.000 0.000 -3.023) 3.023 ======================= Grid point 54 (23/42) ======================= q-point: ( 0.08 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 1.387 0.000 8.440) 8.553 0.672 ( 8.111 -0.000 8.528) 11.769 0.768 ( 4.506 -0.000 9.508) 10.522 0.770 ( 8.274 0.000 9.639) 12.704 0.994 ( 1.233 0.000 -0.197) 1.249 1.081 ( 4.016 0.000 -5.658) 6.938 1.135 ( 6.244 0.000 -2.661) 6.787 1.160 ( 7.717 -0.000 -3.432) 8.446 1.170 ( 1.507 0.000 -0.770) 1.692 1.301 ( 2.969 0.000 -0.373) 2.992 1.342 ( 8.017 -0.000 3.421) 8.716 1.343 ( 2.747 0.000 -1.548) 3.153 1.436 ( 7.785 -0.437 1.144) 7.880 1.436 ( 8.450 0.437 5.265) 9.966 1.496 ( 4.024 0.000 -4.168) 5.794 1.519 ( 9.761 0.000 2.980) 10.206 1.551 ( 4.137 0.000 2.170) 4.672 1.551 ( 3.750 -0.000 -1.488) 4.035 1.669 ( 4.926 -2.576 2.681) 6.171 1.669 ( 12.115 2.576 4.116) 13.052 1.739 ( 12.744 0.000 -1.034) 12.786 1.769 ( 9.324 0.000 -0.420) 9.334 1.892 ( 3.987 0.000 2.733) 4.833 1.898 ( -0.700 0.000 4.317) 4.374 1.922 ( 2.792 0.000 -0.775) 2.897 1.952 ( -0.072 0.000 -1.904) 1.906 2.082 ( 9.704 0.000 -3.739) 10.399 2.094 ( 11.703 0.000 -2.384) 11.943 2.264 ( 8.708 0.000 1.014) 8.767 2.295 ( 11.428 0.000 1.209) 11.492 2.309 ( 7.042 0.000 -3.807) 8.006 2.438 ( 4.092 0.000 -0.009) 4.092 2.465 ( 10.055 0.000 -0.025) 10.055 2.534 ( 8.533 0.000 -3.104) 9.080 2.594 ( 0.302 0.000 -0.831) 0.884 2.600 ( 4.442 0.000 -7.466) 8.687 2.739 ( 0.785 0.000 0.862) 1.166 2.786 ( -0.857 0.000 -0.838) 1.198 2.885 ( 0.735 0.000 -2.683) 2.782 2.955 ( -0.342 0.000 -2.433) 2.457 3.023 ( -2.677 -0.000 2.807) 3.879 3.026 ( -2.741 0.000 1.537) 3.143 3.263 ( -1.399 0.000 0.956) 1.695 3.322 ( -2.639 0.000 -2.430) 3.587 3.482 ( -0.724 0.000 -2.076) 2.198 3.503 ( -0.574 0.000 -3.779) 3.822 3.632 ( 9.631 0.000 -0.523) 9.645 3.644 ( 11.164 0.000 -0.674) 11.184 3.801 ( -2.899 0.000 2.543) 3.856 3.804 ( -3.592 0.000 2.515) 4.385 4.207 ( 1.481 0.000 5.588) 5.781 4.245 ( 0.478 0.000 1.529) 1.602 4.435 ( 11.518 0.000 -0.041) 11.518 4.462 ( 9.898 0.000 0.323) 9.903 4.539 ( 2.640 0.000 2.656) 3.745 4.550 ( -0.266 0.000 0.939) 0.976 4.670 ( -3.418 0.000 4.138) 5.367 4.877 ( -1.077 0.000 -3.962) 4.106 4.994 ( 0.015 0.000 -0.791) 0.792 5.012 ( 2.335 0.000 -1.471) 2.760 5.321 ( 2.524 0.000 4.046) 4.769 5.372 ( -0.937 0.000 2.398) 2.575 5.509 ( 7.070 0.000 -0.974) 7.137 5.544 ( 10.909 -0.000 -5.214) 12.091 5.707 ( -0.094 0.000 2.722) 2.724 5.777 ( 11.272 0.000 1.064) 11.322 5.829 ( 11.395 0.000 -0.132) 11.396 5.841 ( 0.132 -0.000 -1.543) 1.549 5.873 ( 2.411 0.000 1.330) 2.754 5.948 ( 4.111 0.000 -1.301) 4.312 5.962 ( 1.967 0.000 -2.091) 2.871 6.039 ( 5.847 0.000 -7.356) 9.397 6.236 ( 0.762 0.000 1.853) 2.003 6.266 ( 0.171 0.000 0.800) 0.818 6.324 ( 1.617 0.000 1.861) 2.465 6.360 ( 6.614 0.000 1.475) 6.777 6.423 ( 3.202 0.000 -0.186) 3.208 6.486 ( 1.392 0.000 -1.342) 1.934 6.714 ( 1.242 0.000 2.437) 2.735 6.806 ( 0.815 0.000 -2.278) 2.419 6.871 ( -6.317 0.000 0.137) 6.319 6.879 ( -3.908 0.000 0.403) 3.929 6.954 ( -1.754 0.000 -1.089) 2.064 7.035 ( -1.356 0.000 -3.186) 3.463 7.090 ( 3.063 0.000 -1.614) 3.462 7.119 ( -4.868 0.000 2.999) 5.718 7.255 ( 2.962 0.000 -1.427) 3.287 7.317 ( 6.016 0.000 4.088) 7.274 7.362 ( 1.751 0.000 2.711) 3.228 7.436 ( 6.029 0.000 0.259) 6.035 7.500 ( 3.051 0.000 -2.532) 3.965 7.531 ( -2.708 0.000 1.707) 3.201 7.701 ( 0.483 0.000 2.346) 2.396 7.726 ( -0.055 0.000 0.332) 0.337 7.919 ( -3.068 -0.000 0.763) 3.162 7.931 ( -1.422 0.000 -3.886) 4.138 8.040 ( -3.517 0.000 4.808) 5.957 8.074 ( 2.088 0.000 -0.847) 2.253 8.266 ( -0.993 0.000 -2.366) 2.566 8.295 ( -3.324 0.000 -5.735) 6.628 8.402 ( -5.758 0.000 1.722) 6.010 8.528 ( -7.774 0.000 0.414) 7.785 8.666 ( -4.044 0.000 1.169) 4.210 8.670 ( -2.033 0.000 -1.298) 2.412 8.719 ( -1.555 0.000 1.653) 2.270 8.743 ( -4.818 0.000 -0.994) 4.919 8.810 ( -3.415 0.000 -0.577) 3.464 8.826 ( -3.415 0.000 1.751) 3.837 8.906 ( -4.242 0.000 -1.066) 4.374 8.943 ( -2.510 0.000 -0.792) 2.632 9.007 ( -3.339 0.000 1.543) 3.678 9.082 ( -2.060 0.000 -1.441) 2.514 9.290 ( -4.319 0.000 1.457) 4.559 9.298 ( -3.940 0.000 0.506) 3.972 9.535 ( -3.200 0.000 0.822) 3.304 9.578 ( -4.702 0.000 -0.621) 4.743 9.747 ( 8.724 0.000 -0.327) 8.730 9.767 ( 9.702 0.000 -1.721) 9.854 9.992 ( -4.710 0.000 0.384) 4.725 10.041 ( -6.387 0.000 -1.859) 6.652 ======================= Grid point 56 (24/42) ======================= q-point: ( 0.15 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 10.477 0.000 1.637) 10.604 0.864 ( 6.696 0.000 2.483) 7.142 0.895 ( 11.170 0.000 5.117) 12.286 0.972 ( 10.514 0.000 3.893) 11.212 1.071 ( 5.370 0.000 -0.882) 5.442 1.162 ( 4.430 0.000 -5.857) 7.344 1.213 ( 3.915 0.000 -0.090) 3.917 1.280 ( 7.352 0.000 -1.866) 7.585 1.296 ( 1.050 0.000 -2.755) 2.948 1.338 ( 7.909 0.000 -2.182) 8.205 1.426 ( 2.064 0.000 0.627) 2.157 1.486 ( 3.509 0.000 -0.668) 3.572 1.535 ( 4.987 0.000 0.780) 5.047 1.561 ( 5.873 -0.000 3.207) 6.691 1.610 ( 6.594 0.000 1.644) 6.796 1.646 ( 6.699 0.000 -3.876) 7.740 1.687 ( 7.097 0.000 0.205) 7.100 1.703 ( 9.282 0.000 1.691) 9.435 1.838 ( 3.531 0.000 -1.307) 3.765 1.840 ( 5.705 -0.000 3.968) 6.950 1.901 ( 7.739 0.000 -0.591) 7.762 1.930 ( 5.306 0.000 -2.933) 6.063 2.001 ( 6.250 0.000 -6.300) 8.874 2.035 ( 7.422 0.000 -0.746) 7.459 2.100 ( 17.840 -0.000 4.412) 18.377 2.138 ( 18.003 0.000 5.250) 18.753 2.306 ( 8.988 0.000 1.198) 9.067 2.345 ( 7.690 0.000 0.465) 7.704 2.392 ( 7.536 0.000 0.451) 7.549 2.455 ( 6.697 0.000 -0.105) 6.698 2.550 ( 12.325 0.000 0.421) 12.332 2.619 ( 12.140 0.000 0.160) 12.141 2.657 ( 9.271 0.000 -0.709) 9.298 2.711 ( 10.145 0.000 1.295) 10.227 2.715 ( 10.894 -0.000 -6.373) 12.621 2.785 ( 5.854 0.000 -1.337) 6.005 2.797 ( 6.601 0.000 1.944) 6.881 2.838 ( 8.474 0.000 -1.623) 8.628 2.933 ( 6.505 0.000 -0.232) 6.509 2.984 ( 5.319 0.000 -1.852) 5.632 3.034 ( 7.100 0.000 0.158) 7.102 3.037 ( 5.901 -0.000 -0.854) 5.962 3.258 ( 1.682 0.000 1.121) 2.021 3.284 ( -0.419 0.000 -0.408) 0.585 3.458 ( -1.730 0.000 -2.590) 3.115 3.480 ( 2.140 0.000 -3.023) 3.703 3.701 ( -5.084 -0.000 2.435) 5.636 3.701 ( -5.987 0.000 2.017) 6.318 3.892 ( 13.595 0.000 -1.199) 13.647 3.913 ( 13.532 0.000 -1.808) 13.652 4.271 ( 4.298 0.000 4.052) 5.907 4.272 ( 1.905 0.000 1.710) 2.560 4.434 ( -3.866 0.000 0.739) 3.936 4.473 ( -2.075 0.000 1.242) 2.418 4.617 ( -0.967 0.000 5.996) 6.073 4.785 ( 9.892 0.000 2.089) 10.110 4.798 ( 12.282 0.000 1.336) 12.354 4.867 ( 1.768 0.000 -3.829) 4.217 4.961 ( 2.243 0.000 0.947) 2.435 5.011 ( 0.738 0.000 -0.272) 0.786 5.438 ( 6.596 0.000 0.001) 6.596 5.486 ( 10.498 0.000 -2.153) 10.716 5.608 ( 1.175 0.000 0.640) 1.338 5.748 ( 5.032 0.000 1.695) 5.310 5.777 ( 10.877 0.000 -6.018) 12.431 5.828 ( 0.143 0.000 -2.235) 2.240 5.870 ( 2.364 0.000 2.170) 3.208 5.954 ( 3.345 0.000 -1.287) 3.584 6.005 ( 5.009 0.000 -0.914) 5.092 6.090 ( 8.426 0.000 1.218) 8.514 6.104 ( 7.940 -0.000 -4.565) 9.159 6.153 ( 7.792 0.000 -2.676) 8.239 6.271 ( 0.737 0.000 0.834) 1.113 6.282 ( 3.748 -0.000 -0.470) 3.777 6.338 ( -0.176 0.000 3.318) 3.322 6.442 ( 1.197 0.000 0.710) 1.392 6.503 ( 3.210 0.000 -1.265) 3.450 6.523 ( 1.075 0.000 -2.728) 2.932 6.726 ( 1.650 0.000 5.375) 5.623 6.750 ( -3.526 0.000 1.362) 3.780 6.809 ( 0.376 0.000 2.378) 2.407 6.874 ( 0.476 0.000 -2.687) 2.728 6.896 ( -3.891 0.000 -0.892) 3.992 7.030 ( 1.517 0.000 -2.255) 2.717 7.040 ( -2.849 0.000 1.157) 3.075 7.145 ( 2.332 0.000 -2.162) 3.180 7.300 ( 0.521 0.000 -0.118) 0.534 7.350 ( -0.837 0.000 5.453) 5.517 7.433 ( -4.539 -0.000 0.813) 4.611 7.436 ( 1.525 0.000 -1.613) 2.220 7.526 ( -0.564 -0.000 -3.764) 3.806 7.529 ( 0.850 0.000 0.986) 1.302 7.722 ( 1.490 0.000 2.038) 2.525 7.731 ( 0.866 -0.000 2.667) 2.804 7.844 ( -3.560 0.000 0.919) 3.677 7.896 ( -1.790 0.000 -3.114) 3.592 7.948 ( -4.965 0.000 2.568) 5.590 8.084 ( -0.888 0.000 -3.568) 3.676 8.203 ( -7.555 0.000 0.322) 7.562 8.258 ( -4.500 -0.000 -1.945) 4.902 8.279 ( -3.354 0.000 -0.608) 3.409 8.337 ( -5.278 0.000 1.216) 5.416 8.572 ( -4.850 0.000 0.205) 4.854 8.611 ( -3.867 0.000 -0.901) 3.970 8.659 ( -3.620 0.000 -2.375) 4.329 8.689 ( -1.567 0.000 1.383) 2.090 8.732 ( -3.661 0.000 -1.284) 3.880 8.757 ( -2.885 0.000 0.704) 2.970 8.848 ( -1.843 0.000 0.743) 1.987 8.895 ( -2.315 0.000 0.015) 2.315 8.946 ( -2.239 0.000 2.156) 3.109 9.038 ( -2.217 0.000 -1.663) 2.771 9.205 ( -4.288 -0.000 1.082) 4.422 9.206 ( -5.078 0.000 0.057) 5.078 9.461 ( -3.973 0.000 0.570) 4.014 9.462 ( -6.330 -0.000 0.375) 6.341 9.831 ( -6.852 0.000 0.695) 6.887 9.872 ( -7.016 0.000 -0.871) 7.070 9.944 ( 7.135 0.000 -0.085) 7.136 9.975 ( 6.748 0.000 -1.412) 6.894 ======================= Grid point 58 (25/42) ======================= q-point: ( 0.23 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 5.226 -0.000 0.261) 5.232 0.989 ( 8.506 0.000 -1.786) 8.692 1.086 ( 5.455 0.000 1.573) 5.677 1.146 ( 6.338 0.000 -0.775) 6.385 1.181 ( 6.066 0.000 -3.224) 6.870 1.231 ( 1.735 0.000 -3.063) 3.520 1.291 ( 2.902 0.000 -0.128) 2.905 1.327 ( 1.950 0.000 -2.258) 2.983 1.428 ( 6.870 0.000 -0.278) 6.876 1.437 ( 2.978 0.000 -0.696) 3.058 1.523 ( 7.422 0.000 0.262) 7.427 1.536 ( 2.372 0.000 1.302) 2.706 1.606 ( 2.784 0.000 0.721) 2.876 1.692 ( 6.053 0.000 -0.802) 6.106 1.736 ( 5.623 0.000 0.461) 5.642 1.774 ( 6.599 0.000 -0.804) 6.648 1.815 ( 7.187 0.000 0.996) 7.256 1.833 ( 4.153 0.000 -0.108) 4.154 1.951 ( 7.520 0.000 1.423) 7.653 1.966 ( 5.165 -0.000 -1.829) 5.479 2.044 ( 6.381 0.000 -0.477) 6.399 2.051 ( 8.160 -0.000 -3.866) 9.029 2.149 ( 8.345 0.000 -3.668) 9.116 2.151 ( 5.039 -0.000 -2.604) 5.672 2.336 ( 1.474 0.000 2.452) 2.861 2.355 ( 2.856 0.000 1.578) 3.262 2.436 ( 5.946 0.000 0.788) 5.998 2.506 ( 10.952 0.000 0.943) 10.992 2.527 ( 7.299 0.000 1.982) 7.563 2.596 ( 7.594 0.000 -2.088) 7.876 2.688 ( 0.937 0.000 2.659) 2.819 2.743 ( 0.959 0.000 -0.795) 1.246 2.784 ( 2.590 0.000 1.016) 2.782 2.794 ( -0.788 -0.000 0.752) 1.089 2.886 ( 3.508 0.000 -1.394) 3.775 2.895 ( 4.881 0.000 -0.397) 4.897 3.055 ( 11.777 0.000 -1.686) 11.897 3.071 ( 21.056 0.000 -0.849) 21.073 3.211 ( 17.127 0.000 1.693) 17.210 3.220 ( 13.273 0.000 -1.103) 13.318 3.275 ( 15.456 0.000 0.589) 15.467 3.305 ( 13.940 0.000 -0.433) 13.947 3.358 ( 11.812 0.000 -0.391) 11.819 3.378 ( 12.551 -0.000 3.195) 12.951 3.493 ( 5.147 0.000 -0.619) 5.184 3.567 ( -0.337 0.000 1.861) 1.891 3.595 ( -0.746 0.000 1.516) 1.690 3.670 ( 10.697 0.000 -4.036) 11.433 4.136 ( 8.944 0.000 -1.560) 9.079 4.175 ( 11.804 0.000 -2.292) 12.024 4.309 ( 1.918 0.000 1.410) 2.380 4.331 ( 1.407 0.000 2.092) 2.521 4.398 ( 1.845 0.000 2.317) 2.962 4.432 ( -1.277 0.000 1.960) 2.339 4.597 ( -1.824 0.000 4.224) 4.601 4.756 ( -5.872 0.000 -1.772) 6.134 4.840 ( 1.668 0.000 3.250) 3.653 5.006 ( 5.251 0.000 -2.735) 5.920 5.152 ( 10.725 0.000 1.510) 10.830 5.169 ( 10.350 0.000 1.520) 10.461 5.556 ( -2.770 -0.000 1.805) 3.306 5.562 ( 4.022 0.000 -1.473) 4.283 5.698 ( 6.975 0.000 -1.868) 7.221 5.824 ( 1.898 0.000 -1.829) 2.636 5.852 ( 5.463 0.000 0.226) 5.468 5.963 ( 6.610 0.000 2.219) 6.973 5.969 ( 3.661 -0.000 -5.705) 6.779 5.996 ( 3.964 0.000 1.185) 4.138 6.116 ( 6.239 0.000 -1.659) 6.455 6.178 ( 4.006 0.000 -3.179) 5.114 6.210 ( 2.834 0.000 1.148) 3.058 6.249 ( -6.079 0.000 -0.637) 6.113 6.289 ( -0.772 0.000 0.877) 1.168 6.355 ( 6.615 0.000 0.455) 6.631 6.369 ( 5.566 0.000 2.281) 6.016 6.444 ( 0.484 0.000 -1.255) 1.345 6.500 ( -2.473 0.000 1.203) 2.751 6.586 ( 5.014 0.000 -2.398) 5.558 6.751 ( 2.841 -0.000 0.942) 2.994 6.759 ( -2.530 0.000 3.380) 4.222 6.820 ( -1.286 0.000 0.296) 1.320 6.836 ( -3.593 0.000 -1.374) 3.847 6.851 ( 1.768 -0.000 0.536) 1.847 7.010 ( 1.590 0.000 2.043) 2.589 7.062 ( -0.720 0.000 -2.647) 2.743 7.185 ( 1.439 0.000 -3.131) 3.446 7.233 ( -6.960 0.000 1.806) 7.190 7.310 ( -1.675 0.000 6.934) 7.134 7.383 ( -0.076 0.000 -1.154) 1.156 7.392 ( -3.896 0.000 -3.404) 5.174 7.517 ( -0.916 0.000 1.375) 1.652 7.518 ( -0.008 -0.000 -4.953) 4.953 7.714 ( -2.563 0.000 -0.763) 2.674 7.761 ( 1.861 0.000 3.938) 4.355 7.794 ( -2.010 -0.000 1.860) 2.738 7.873 ( -0.163 0.000 -2.476) 2.481 7.896 ( -0.771 0.000 4.448) 4.514 8.015 ( -9.573 0.000 -0.422) 9.583 8.052 ( -4.457 0.000 -1.270) 4.635 8.109 ( -1.681 0.000 -7.337) 7.527 8.268 ( 0.707 0.000 2.078) 2.195 8.350 ( 1.167 0.000 1.279) 1.731 8.484 ( -3.864 0.000 0.085) 3.865 8.520 ( -4.532 0.000 -1.125) 4.669 8.600 ( -2.452 0.000 -1.306) 2.779 8.639 ( -3.136 0.000 -1.068) 3.313 8.697 ( 0.012 0.000 -0.035) 0.037 8.723 ( -0.518 0.000 -1.185) 1.293 8.829 ( -0.209 0.000 1.259) 1.276 8.845 ( -2.443 0.000 1.564) 2.901 8.931 ( 0.431 0.000 0.764) 0.877 9.000 ( -1.610 0.000 -1.640) 2.299 9.106 ( -4.688 0.000 0.178) 4.691 9.124 ( -3.658 0.000 1.024) 3.798 9.342 ( -5.546 0.000 1.215) 5.678 9.382 ( -3.957 0.000 0.239) 3.964 9.659 ( -9.471 0.000 0.394) 9.479 9.687 ( -9.961 0.000 -0.614) 9.980 10.101 ( 7.075 0.000 -0.085) 7.075 10.107 ( 5.768 0.000 -0.311) 5.776 ======================= Grid point 60 (26/42) ======================= q-point: ( 0.31 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.692 0.000 -0.220) 0.726 1.086 ( 1.043 0.000 -1.446) 1.783 1.131 ( 0.493 0.000 1.472) 1.552 1.201 ( -1.312 0.000 -1.450) 1.956 1.242 ( 1.029 0.000 -1.826) 2.096 1.247 ( -0.373 -0.000 -2.190) 2.221 1.319 ( 0.100 0.000 -0.661) 0.669 1.364 ( 1.445 0.000 -2.190) 2.624 1.521 ( 4.699 0.000 -0.532) 4.729 1.531 ( 3.344 0.000 0.227) 3.352 1.579 ( 2.077 0.000 0.371) 2.110 1.604 ( 0.308 0.000 -0.262) 0.404 1.698 ( 6.529 0.000 0.559) 6.553 1.790 ( 5.178 0.000 -2.721) 5.850 1.842 ( 5.262 0.000 0.850) 5.331 1.920 ( 5.136 0.000 -1.104) 5.253 1.945 ( 9.166 0.000 0.286) 9.171 1.963 ( 6.826 0.000 0.218) 6.829 2.059 ( 5.101 0.000 0.432) 5.119 2.081 ( 5.592 -0.000 0.500) 5.614 2.154 ( 4.461 0.000 -1.180) 4.614 2.209 ( 5.590 0.000 -4.014) 6.882 2.259 ( 7.077 0.000 -0.669) 7.109 2.306 ( 6.681 0.000 -1.049) 6.763 2.331 ( -0.668 0.000 1.591) 1.725 2.372 ( -0.128 0.000 1.780) 1.785 2.530 ( 3.840 0.000 2.086) 4.370 2.594 ( -2.451 0.000 -0.993) 2.645 2.619 ( 0.036 0.000 -0.101) 0.107 2.659 ( -1.113 0.000 -1.049) 1.530 2.700 ( 0.375 0.000 0.443) 0.580 2.735 ( -0.116 0.000 -0.715) 0.725 2.792 ( 1.320 0.000 1.562) 2.045 2.836 ( 3.647 0.000 -1.714) 4.030 2.905 ( -1.587 0.000 -1.146) 1.957 2.988 ( 3.456 0.000 -1.667) 3.837 3.212 ( 5.082 0.000 1.452) 5.285 3.305 ( -1.677 0.000 -1.393) 2.180 3.410 ( 11.619 -0.000 1.872) 11.769 3.444 ( 6.414 0.000 0.917) 6.479 3.513 ( 9.960 0.000 2.975) 10.395 3.524 ( 11.014 0.000 2.140) 11.220 3.629 ( 10.914 0.000 2.033) 11.102 3.647 ( 14.345 0.000 0.842) 14.369 3.761 ( 20.968 0.000 -1.342) 21.011 3.768 ( 18.694 -0.000 1.171) 18.730 3.818 ( 17.272 0.000 -0.224) 17.274 3.980 ( 15.181 0.000 -4.681) 15.886 4.173 ( -1.537 0.000 1.035) 1.853 4.277 ( 0.326 0.000 -2.609) 2.630 4.390 ( 4.223 0.000 1.755) 4.573 4.436 ( 5.189 0.000 0.753) 5.243 4.461 ( 4.865 0.000 1.255) 5.024 4.495 ( 7.158 0.000 1.409) 7.295 4.557 ( 0.323 0.000 1.367) 1.404 4.660 ( -2.083 0.000 -1.355) 2.485 4.894 ( 2.661 0.000 4.074) 4.867 5.102 ( 3.921 0.000 -3.333) 5.146 5.272 ( -0.448 0.000 1.316) 1.390 5.303 ( 3.967 0.000 0.446) 3.992 5.500 ( -1.677 0.000 4.045) 4.379 5.562 ( -3.241 0.000 -1.808) 3.711 5.791 ( 3.758 0.000 -0.717) 3.826 5.884 ( 1.715 0.000 0.755) 1.873 5.970 ( 5.409 0.000 -1.613) 5.644 6.000 ( 2.911 0.000 1.802) 3.423 6.062 ( 2.160 0.000 -1.514) 2.638 6.091 ( -2.824 0.000 3.975) 4.876 6.135 ( 5.032 0.000 1.679) 5.304 6.179 ( -3.252 0.000 1.936) 3.785 6.262 ( 2.631 -0.000 -2.094) 3.363 6.269 ( 6.451 0.000 -4.167) 7.679 6.320 ( 4.007 0.000 -0.154) 4.010 6.384 ( -1.078 0.000 -1.256) 1.656 6.443 ( 0.306 -0.000 -1.186) 1.225 6.483 ( 1.070 0.000 -3.372) 3.538 6.510 ( 4.290 0.000 3.327) 5.429 6.616 ( -3.253 0.000 0.800) 3.350 6.711 ( -0.214 0.000 -1.508) 1.523 6.753 ( -3.824 0.000 2.597) 4.622 6.764 ( -1.089 0.000 -0.731) 1.312 6.824 ( 2.286 0.000 -0.151) 2.291 6.870 ( -0.053 0.000 -0.114) 0.126 6.961 ( -7.682 0.000 -1.414) 7.811 7.070 ( -8.229 0.000 3.775) 9.053 7.132 ( 8.046 0.000 0.899) 8.096 7.204 ( 1.271 0.000 -1.706) 2.127 7.295 ( -1.663 0.000 1.970) 2.578 7.361 ( 0.954 0.000 -2.930) 3.082 7.411 ( 2.201 0.000 0.181) 2.209 7.513 ( -0.425 0.000 -3.143) 3.172 7.516 ( 1.245 -0.000 0.119) 1.250 7.665 ( -3.155 0.000 -1.105) 3.343 7.742 ( -0.921 0.000 1.507) 1.766 7.772 ( -5.681 0.000 1.918) 5.996 7.826 ( -1.163 0.000 -3.644) 3.826 7.887 ( 0.375 -0.000 3.234) 3.256 7.917 ( 2.754 0.000 -1.143) 2.982 8.056 ( 2.458 0.000 -2.477) 3.490 8.108 ( 0.054 0.000 -5.189) 5.189 8.279 ( 0.194 0.000 3.814) 3.819 8.353 ( -0.363 0.000 0.846) 0.920 8.423 ( -2.180 0.000 0.615) 2.265 8.457 ( -1.786 0.000 -0.098) 1.789 8.565 ( -0.772 0.000 -1.006) 1.268 8.584 ( -2.210 0.000 -1.113) 2.474 8.717 ( 1.919 0.000 -0.342) 1.949 8.728 ( 0.799 0.000 -1.646) 1.830 8.813 ( -0.422 0.000 1.763) 1.813 8.832 ( 0.466 0.000 1.003) 1.106 8.946 ( 0.664 0.000 0.400) 0.776 8.971 ( -1.371 0.000 -1.160) 1.795 9.030 ( -2.790 0.000 0.092) 2.791 9.066 ( -2.206 0.000 1.005) 2.424 9.243 ( -4.479 0.000 1.561) 4.743 9.303 ( -4.031 0.000 0.150) 4.034 9.469 ( -9.466 0.000 0.275) 9.470 9.488 ( -9.884 0.000 -0.400) 9.892 10.198 ( 3.442 0.000 0.379) 3.463 10.216 ( 4.456 0.000 -0.278) 4.465 ======================= Grid point 62 (27/42) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -4.478 0.000 -2.187) 4.983 1.041 ( -4.343 0.000 -3.714) 5.715 1.131 ( -0.933 0.000 1.329) 1.624 1.166 ( -1.868 0.000 -0.415) 1.914 1.211 ( -1.725 0.000 1.990) 2.634 1.254 ( 0.216 0.000 1.063) 1.084 1.302 ( -1.435 0.000 0.346) 1.476 1.359 ( -1.679 0.000 -1.928) 2.556 1.567 ( 0.920 0.000 -0.195) 0.941 1.595 ( 2.105 0.000 -1.189) 2.418 1.616 ( 2.291 0.000 -0.079) 2.292 1.625 ( 2.292 0.000 -0.425) 2.331 1.830 ( 5.740 0.000 1.079) 5.840 1.879 ( 3.213 0.000 -1.728) 3.648 1.939 ( 4.323 0.000 0.283) 4.332 2.017 ( 4.729 0.000 -0.748) 4.788 2.063 ( 3.440 0.000 2.942) 4.527 2.113 ( 6.685 0.000 0.185) 6.687 2.164 ( 3.627 0.000 2.027) 4.155 2.175 ( 3.993 0.000 -0.237) 4.000 2.234 ( 4.467 0.000 -2.017) 4.902 2.251 ( -0.744 0.000 -1.555) 1.724 2.302 ( -2.432 0.000 -0.126) 2.435 2.357 ( -1.069 0.000 2.178) 2.426 2.401 ( 2.207 0.000 -2.843) 3.599 2.406 ( 3.480 0.000 -0.045) 3.480 2.489 ( -1.609 0.000 1.764) 2.388 2.577 ( -0.260 0.000 -1.253) 1.279 2.601 ( 1.437 0.000 1.542) 2.108 2.643 ( -1.067 0.000 -0.897) 1.394 2.679 ( -2.479 0.000 1.557) 2.927 2.712 ( -2.977 0.000 0.937) 3.122 2.759 ( -5.400 0.000 2.859) 6.110 2.865 ( 0.886 0.000 -1.761) 1.972 2.929 ( 4.239 -0.000 -1.916) 4.652 3.046 ( 1.197 0.000 -4.627) 4.779 3.259 ( 2.001 0.000 -1.256) 2.363 3.275 ( 0.435 0.000 -1.117) 1.199 3.615 ( 9.430 -0.000 1.713) 9.584 3.630 ( 8.781 0.000 0.246) 8.784 3.688 ( 6.897 0.000 2.171) 7.231 3.703 ( 6.898 0.000 1.970) 7.174 3.849 ( 9.669 0.000 0.588) 9.687 3.875 ( 8.456 0.000 -0.129) 8.457 3.992 ( 0.885 0.000 2.296) 2.461 4.063 ( 7.095 0.000 -0.030) 7.095 4.095 ( 10.028 0.000 0.892) 10.068 4.179 ( 4.753 0.000 -2.522) 5.381 4.262 ( 11.039 0.000 0.656) 11.058 4.332 ( 6.516 0.000 -0.848) 6.571 4.467 ( -0.358 0.000 0.942) 1.008 4.499 ( 5.251 0.000 0.368) 5.264 4.521 ( 2.794 0.000 -1.017) 2.974 4.554 ( 4.836 0.000 0.371) 4.850 4.728 ( 10.247 0.000 -0.560) 10.262 4.734 ( 7.453 0.000 -1.065) 7.529 4.914 ( -0.800 0.000 3.862) 3.944 5.099 ( -6.242 0.000 -3.238) 7.032 5.230 ( -0.027 0.000 0.947) 0.948 5.315 ( -1.400 0.000 -2.740) 3.077 5.464 ( -6.205 0.000 1.624) 6.414 5.512 ( 1.838 0.000 4.094) 4.488 5.881 ( 4.893 0.000 1.125) 5.020 5.896 ( 1.029 -0.000 2.420) 2.629 5.974 ( -3.098 0.000 2.082) 3.733 6.066 ( 2.695 0.000 2.834) 3.911 6.077 ( 2.615 -0.000 0.903) 2.766 6.094 ( -1.524 0.000 1.798) 2.357 6.126 ( 0.572 0.000 -1.038) 1.185 6.220 ( -1.072 0.000 -0.630) 1.243 6.318 ( 5.355 0.000 1.284) 5.507 6.360 ( 3.557 0.000 -1.757) 3.967 6.378 ( -0.096 -0.000 -2.537) 2.539 6.416 ( 4.164 -0.000 -1.819) 4.544 6.454 ( -2.456 0.000 1.168) 2.719 6.474 ( 3.001 0.000 -2.559) 3.944 6.558 ( -2.673 0.000 -1.147) 2.908 6.565 ( 0.826 -0.000 1.573) 1.777 6.642 ( -4.449 0.000 3.061) 5.401 6.740 ( 0.777 0.000 -1.618) 1.795 6.757 ( -2.042 0.000 0.473) 2.096 6.829 ( -0.777 0.000 -4.486) 4.553 6.846 ( -3.692 0.000 -0.233) 3.700 6.867 ( -0.066 0.000 -2.255) 2.255 6.950 ( -2.362 0.000 6.515) 6.930 7.234 ( 1.510 0.000 0.460) 1.578 7.263 ( 4.498 0.000 -1.748) 4.826 7.279 ( 0.453 -0.000 1.259) 1.338 7.361 ( -0.770 0.000 -5.606) 5.659 7.433 ( -0.042 0.000 1.372) 1.372 7.487 ( -2.941 0.000 -1.017) 3.112 7.567 ( 1.614 0.000 -0.910) 1.852 7.618 ( -0.204 0.000 -0.184) 0.275 7.640 ( -2.918 0.000 -2.371) 3.760 7.776 ( 2.880 0.000 0.966) 3.038 7.870 ( 2.787 0.000 -1.753) 3.293 7.899 ( 0.483 0.000 2.320) 2.369 7.985 ( 3.152 0.000 -1.797) 3.629 8.094 ( 0.996 0.000 -2.761) 2.935 8.101 ( -0.548 0.000 -3.489) 3.532 8.273 ( -0.722 0.000 3.909) 3.975 8.356 ( 0.814 0.000 0.238) 0.848 8.398 ( -0.537 0.000 1.228) 1.341 8.435 ( -0.697 0.000 -0.330) 0.771 8.554 ( -0.916 0.000 0.462) 1.026 8.572 ( 1.187 0.000 -0.419) 1.259 8.752 ( 1.673 0.000 -1.509) 2.253 8.769 ( 3.280 0.000 -1.026) 3.436 8.832 ( 2.194 0.000 0.808) 2.339 8.848 ( 1.087 0.000 0.831) 1.368 8.946 ( -0.994 0.000 -0.096) 0.998 8.947 ( -0.743 -0.000 0.641) 0.981 9.003 ( 0.169 0.000 -0.313) 0.356 9.032 ( -1.383 0.000 0.844) 1.620 9.161 ( -3.830 0.000 1.485) 4.107 9.221 ( -4.240 0.000 0.251) 4.248 9.290 ( -8.242 0.000 0.246) 8.245 9.300 ( -8.850 0.000 -0.126) 8.851 10.246 ( 1.503 0.000 0.815) 1.709 10.281 ( 2.195 0.000 -0.468) 2.244 ======================= Grid point 64 (28/42) ======================= q-point: ( 0.46 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -2.638 0.000 -3.373) 4.282 0.965 ( -2.399 0.000 -5.518) 6.017 1.097 ( -1.438 0.000 0.073) 1.440 1.127 ( -1.465 0.000 -0.735) 1.639 1.199 ( -0.002 0.000 4.517) 4.517 1.257 ( 0.098 0.000 3.668) 3.669 1.278 ( -0.727 0.000 2.008) 2.136 1.331 ( -0.745 0.000 -0.770) 1.072 1.580 ( 0.451 0.000 0.616) 0.763 1.625 ( 0.970 0.000 -1.498) 1.784 1.660 ( 0.980 0.000 -0.536) 1.117 1.660 ( 1.372 -0.000 -0.556) 1.480 1.901 ( 1.409 0.000 -0.065) 1.410 1.917 ( 0.762 0.000 -1.106) 1.343 2.017 ( 3.152 0.000 2.885) 4.273 2.090 ( 1.771 0.000 1.824) 2.543 2.095 ( -0.277 0.000 2.875) 2.888 2.190 ( 1.361 0.000 0.147) 1.369 2.191 ( -0.080 0.000 -0.042) 0.091 2.215 ( -0.397 0.000 -1.140) 1.207 2.229 ( -1.626 0.000 -0.637) 1.746 2.246 ( 1.779 0.000 -1.293) 2.199 2.303 ( -2.790 0.000 -0.006) 2.790 2.358 ( -1.822 0.000 2.646) 3.212 2.360 ( 5.232 -0.000 -0.998) 5.327 2.447 ( 0.080 0.000 0.769) 0.773 2.564 ( 2.718 0.000 0.291) 2.733 2.566 ( -0.984 0.000 -0.762) 1.245 2.603 ( -2.175 0.000 1.090) 2.432 2.631 ( 0.500 0.000 -0.132) 0.517 2.642 ( 0.670 0.000 2.383) 2.475 2.657 ( -1.574 0.000 0.273) 1.598 2.676 ( -2.049 0.000 0.616) 2.140 2.875 ( -0.240 0.000 -4.790) 4.796 2.999 ( 2.041 -0.000 -0.816) 2.198 3.039 ( -0.660 0.000 -0.258) 0.709 3.300 ( 1.120 0.000 -1.792) 2.113 3.310 ( 2.016 -0.000 -4.506) 4.937 3.740 ( 2.595 -0.000 -0.823) 2.723 3.743 ( 2.690 0.000 -0.487) 2.733 3.794 ( 3.557 -0.000 2.469) 4.330 3.795 ( 2.339 0.000 1.485) 2.770 3.974 ( -0.489 0.000 3.484) 3.518 3.983 ( 2.173 0.000 0.310) 2.195 3.986 ( 3.730 0.000 -0.759) 3.806 4.108 ( 0.035 0.000 1.047) 1.047 4.201 ( 1.677 0.000 1.150) 2.034 4.220 ( 0.463 0.000 0.229) 0.516 4.420 ( 2.923 0.000 -0.852) 3.045 4.436 ( 2.243 0.000 -1.598) 2.754 4.492 ( 2.910 0.000 1.888) 3.469 4.563 ( 3.020 0.000 -1.659) 3.446 4.637 ( 4.229 0.000 -0.434) 4.252 4.647 ( 3.270 0.000 -0.138) 3.273 4.854 ( -0.548 0.000 1.318) 1.427 4.869 ( 4.993 0.000 -1.289) 5.156 4.916 ( 3.849 0.000 -0.794) 3.930 4.957 ( -5.416 0.000 -1.641) 5.659 5.243 ( 0.147 0.000 0.309) 0.342 5.286 ( -1.143 0.000 -2.786) 3.011 5.350 ( -3.783 0.000 4.849) 6.150 5.533 ( 0.186 0.000 0.934) 0.952 5.902 ( -0.888 0.000 4.868) 4.949 5.937 ( 2.656 0.000 2.322) 3.528 6.006 ( 3.395 0.000 1.850) 3.867 6.030 ( -3.327 0.000 0.730) 3.406 6.106 ( 0.436 0.000 -2.310) 2.351 6.112 ( 1.738 -0.000 3.295) 3.725 6.149 ( 0.361 0.000 0.521) 0.634 6.210 ( 0.970 0.000 2.068) 2.284 6.315 ( -3.620 0.000 -2.327) 4.303 6.400 ( 0.228 0.000 4.975) 4.981 6.428 ( 2.785 0.000 -3.107) 4.173 6.459 ( 3.129 0.000 2.114) 3.776 6.475 ( 2.150 0.000 -1.520) 2.633 6.510 ( -1.370 0.000 -1.559) 2.076 6.515 ( 0.397 -0.000 -0.118) 0.414 6.544 ( -2.342 0.000 0.796) 2.474 6.574 ( -2.917 0.000 1.214) 3.160 6.727 ( 0.488 0.000 -6.327) 6.346 6.738 ( -1.184 0.000 2.988) 3.214 6.783 ( -0.880 0.000 -2.074) 2.253 6.828 ( -0.943 0.000 -1.345) 1.643 6.881 ( 1.081 0.000 -4.041) 4.183 6.940 ( 0.071 0.000 5.372) 5.372 7.258 ( 0.773 0.000 2.363) 2.486 7.305 ( 1.605 0.000 0.351) 1.643 7.313 ( 0.894 0.000 -2.825) 2.963 7.347 ( -0.628 0.000 -2.677) 2.749 7.423 ( -2.449 -0.145 -6.717) 7.151 7.423 ( -0.596 0.145 1.354) 1.486 7.544 ( -0.900 0.000 -3.275) 3.397 7.629 ( 0.517 0.000 2.429) 2.484 7.672 ( 1.920 0.000 -0.353) 1.952 7.826 ( 1.616 0.000 2.570) 3.035 7.901 ( -0.136 0.000 0.758) 0.771 7.914 ( 1.330 0.000 -1.610) 2.088 8.018 ( 0.313 0.000 -2.886) 2.903 8.099 ( 0.310 0.000 -3.067) 3.083 8.100 ( -0.038 -0.000 -2.823) 2.823 8.259 ( -0.485 0.000 3.664) 3.696 8.378 ( 0.963 0.000 -1.199) 1.537 8.395 ( 0.060 0.000 1.511) 1.512 8.425 ( -0.318 0.000 -0.763) 0.826 8.544 ( -0.203 0.000 2.065) 2.075 8.597 ( 0.925 0.000 0.701) 1.160 8.793 ( 2.004 0.000 -1.736) 2.651 8.840 ( 3.318 0.000 -2.107) 3.931 8.862 ( -0.117 0.000 0.756) 0.765 8.884 ( 1.835 0.000 -0.391) 1.876 8.920 ( -1.235 0.000 0.143) 1.243 8.939 ( 0.218 0.000 1.090) 1.112 9.012 ( -0.431 0.000 1.653) 1.708 9.028 ( 1.699 0.000 0.841) 1.896 9.097 ( -2.210 0.000 0.747) 2.333 9.140 ( -3.332 0.000 0.222) 3.339 9.155 ( -4.814 0.000 0.183) 4.818 9.160 ( -4.036 0.000 0.090) 4.037 10.263 ( 0.360 0.000 1.048) 1.108 10.308 ( 0.618 0.000 -0.588) 0.853 ======================= Grid point 78 (29/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 0.000 -11.947) 11.947 0.790 ( 0.000 0.000 11.947) 11.947 0.819 ( 0.000 0.000 -11.470) 11.470 0.819 ( 0.000 0.000 11.470) 11.470 1.010 ( 0.000 0.000 -0.210) 0.210 1.010 ( 0.000 0.000 0.210) 0.210 1.014 ( 0.000 0.000 -5.456) 5.456 1.014 ( 0.000 0.000 5.456) 5.456 1.225 ( 0.000 0.000 -6.069) 6.069 1.225 ( 0.000 0.000 6.069) 6.069 1.291 ( 0.000 0.000 -4.121) 4.121 1.291 ( 0.000 0.000 4.121) 4.121 1.391 ( 0.000 0.000 -2.462) 2.462 1.391 ( 0.000 0.000 2.462) 2.462 1.393 ( 0.000 0.000 -2.892) 2.892 1.393 ( 0.000 0.000 2.892) 2.892 1.540 ( 0.000 0.000 -1.880) 1.880 1.540 ( 0.000 0.000 1.880) 1.880 1.571 ( 0.000 0.000 -10.834) 10.834 1.571 ( 0.000 0.000 10.834) 10.834 1.740 ( 0.000 0.000 -1.998) 1.998 1.740 ( 0.000 0.000 1.998) 1.998 1.863 ( 0.000 0.000 -4.204) 4.204 1.863 ( 0.000 0.000 4.204) 4.204 1.924 ( 0.000 0.000 -3.124) 3.124 1.924 ( 0.000 0.000 3.124) 3.124 1.994 ( 0.000 0.000 -1.819) 1.819 1.994 ( 0.000 0.000 1.819) 1.819 2.120 ( 0.000 0.000 -0.041) 0.041 2.120 ( 0.000 0.000 0.041) 0.041 2.264 ( 0.000 0.000 -2.556) 2.556 2.264 ( 0.000 0.000 2.556) 2.556 2.382 ( 0.000 0.000 -2.358) 2.358 2.382 ( 0.000 0.000 2.358) 2.358 2.506 ( 0.000 0.000 -3.972) 3.972 2.506 ( 0.000 0.000 3.972) 3.972 2.667 ( 0.000 0.000 -0.838) 0.838 2.667 ( 0.000 0.000 0.838) 0.838 2.994 ( 0.000 0.000 -0.200) 0.200 2.994 ( 0.000 0.000 0.200) 0.200 3.139 ( 0.000 0.000 -2.294) 2.294 3.139 ( 0.000 0.000 2.294) 2.294 3.260 ( 0.000 0.000 -3.789) 3.789 3.260 ( 0.000 0.000 3.789) 3.789 3.449 ( 0.000 0.000 -0.127) 0.127 3.449 ( 0.000 0.000 0.127) 0.127 3.549 ( 0.000 0.000 -1.116) 1.116 3.549 ( 0.000 0.000 1.116) 1.116 3.878 ( 0.000 0.000 -0.043) 0.043 3.878 ( 0.000 0.000 0.043) 0.043 4.261 ( 0.000 0.000 -3.144) 3.144 4.261 ( 0.000 0.000 3.144) 3.144 4.296 ( 0.000 0.000 -0.388) 0.388 4.296 ( 0.000 0.000 0.388) 0.388 4.562 ( 0.000 0.000 -0.864) 0.864 4.562 ( 0.000 0.000 0.864) 0.864 4.811 ( 0.000 0.000 -3.875) 3.875 4.811 ( 0.000 0.000 3.875) 3.875 4.923 ( 0.000 0.000 -0.283) 0.283 4.923 ( 0.000 0.000 0.283) 0.283 5.393 ( 0.000 0.000 -1.223) 1.223 5.393 ( 0.000 0.000 1.223) 1.223 5.530 ( 0.000 0.000 -4.158) 4.158 5.530 ( 0.000 0.000 4.158) 4.158 5.610 ( 0.000 0.000 -0.067) 0.067 5.610 ( 0.000 0.000 0.067) 0.067 5.767 ( 0.000 0.000 -2.275) 2.275 5.767 ( 0.000 0.000 2.275) 2.275 5.863 ( 0.000 0.000 -0.367) 0.367 5.863 ( 0.000 0.000 0.367) 0.367 5.921 ( 0.000 0.000 -0.171) 0.171 5.921 ( 0.000 0.000 0.171) 0.171 6.266 ( 0.000 0.000 -0.167) 0.167 6.266 ( 0.000 0.000 0.167) 0.167 6.341 ( 0.000 0.000 -2.468) 2.468 6.341 ( 0.000 0.000 2.468) 2.468 6.443 ( 0.000 0.000 -1.993) 1.993 6.443 ( 0.000 0.000 1.993) 1.993 6.698 ( 0.000 0.000 -4.077) 4.077 6.698 ( 0.000 0.000 4.077) 4.077 6.937 ( 0.000 0.000 -5.352) 5.352 6.937 ( 0.000 0.000 5.352) 5.352 6.975 ( 0.000 0.000 -0.669) 0.669 6.975 ( 0.000 0.000 0.669) 0.669 7.094 ( 0.000 0.000 -3.632) 3.632 7.094 ( 0.000 0.000 3.632) 3.632 7.330 ( 0.000 0.000 -1.140) 1.140 7.330 ( 0.000 0.000 1.140) 1.140 7.339 ( 0.000 0.000 -0.105) 0.105 7.339 ( 0.000 0.000 0.105) 0.105 7.513 ( 0.000 0.000 -0.323) 0.323 7.513 ( 0.000 0.000 0.323) 0.323 7.746 ( 0.000 0.000 -2.041) 2.041 7.746 ( 0.000 0.000 2.041) 2.041 7.893 ( 0.000 0.000 -5.087) 5.087 7.893 ( 0.000 0.000 5.087) 5.087 8.148 ( 0.000 0.000 -0.073) 0.073 8.148 ( 0.000 0.000 0.073) 0.073 8.268 ( 0.000 0.000 -1.749) 1.749 8.268 ( 0.000 0.000 1.749) 1.749 8.515 ( 0.000 0.000 -1.230) 1.230 8.515 ( 0.000 0.000 1.230) 1.230 8.680 ( 0.000 0.000 -0.830) 0.830 8.680 ( 0.000 0.000 0.830) 0.830 8.766 ( 0.000 0.000 -0.098) 0.098 8.766 ( 0.000 0.000 0.098) 0.098 8.871 ( 0.000 0.000 -0.054) 0.054 8.871 ( 0.000 0.000 0.054) 0.054 8.949 ( 0.000 0.000 -0.660) 0.660 8.949 ( 0.000 0.000 0.660) 0.660 9.051 ( 0.000 0.000 -1.249) 1.249 9.051 ( 0.000 0.000 1.249) 1.249 9.362 ( 0.000 0.000 -0.001) 0.001 9.362 ( 0.000 0.000 0.001) 0.001 9.619 ( 0.000 0.000 -1.998) 1.998 9.619 ( 0.000 0.000 1.998) 1.998 9.622 ( 0.000 0.000 -0.809) 0.809 9.622 ( 0.000 0.000 0.809) 0.809 10.061 ( 0.000 0.000 -1.062) 1.062 10.061 ( 0.000 0.000 1.062) 1.062 ======================= Grid point 80 (30/42) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 1.945 0.000 -4.079) 4.519 0.798 ( 1.945 0.000 4.079) 4.519 0.866 ( 3.183 0.000 -4.146) 5.227 0.866 ( 3.183 0.000 4.146) 5.227 1.054 ( 6.152 0.000 -0.216) 6.156 1.054 ( 6.152 0.000 0.216) 6.156 1.099 ( 4.136 0.000 -2.595) 4.882 1.099 ( 4.136 0.000 2.595) 4.882 1.224 ( 1.147 0.000 -4.243) 4.395 1.224 ( 1.147 0.000 4.243) 4.395 1.326 ( 4.364 0.000 -2.513) 5.036 1.326 ( 4.364 0.000 2.513) 5.036 1.447 ( 5.700 0.000 -0.245) 5.705 1.447 ( 5.700 0.000 0.245) 5.705 1.473 ( 6.402 0.000 -3.744) 7.417 1.473 ( 6.402 0.000 3.744) 7.417 1.625 ( 8.067 0.000 -2.336) 8.398 1.625 ( 8.067 0.000 2.336) 8.398 1.688 ( 2.026 0.000 -1.028) 2.272 1.688 ( 2.026 0.000 1.028) 2.272 1.779 ( 11.726 0.000 -6.333) 13.327 1.779 ( 11.726 0.000 6.333) 13.327 1.883 ( 1.543 0.000 -0.719) 1.702 1.883 ( 1.543 0.000 0.719) 1.702 1.962 ( 1.649 0.000 -1.909) 2.522 1.962 ( 1.649 0.000 1.909) 2.522 2.066 ( 12.027 0.000 -6.129) 13.498 2.066 ( 12.027 0.000 6.129) 13.498 2.260 ( 8.524 0.000 -1.003) 8.582 2.260 ( 8.524 0.000 1.003) 8.582 2.365 ( 12.068 0.000 -0.760) 12.092 2.365 ( 12.068 0.000 0.760) 12.092 2.491 ( 9.075 0.000 -2.110) 9.318 2.491 ( 9.075 0.000 2.110) 9.318 2.531 ( 3.341 0.000 -2.219) 4.011 2.531 ( 3.341 0.000 2.219) 4.011 2.667 ( 1.445 0.000 -0.299) 1.475 2.667 ( 1.445 0.000 0.299) 1.475 2.959 ( -2.431 0.000 -0.032) 2.432 2.959 ( -2.431 0.000 0.032) 2.432 3.093 ( -3.711 0.000 -0.666) 3.771 3.093 ( -3.711 0.000 0.666) 3.771 3.249 ( -0.455 0.000 -3.517) 3.546 3.249 ( -0.455 0.000 3.517) 3.546 3.464 ( -1.326 0.000 -0.233) 1.347 3.464 ( -1.326 0.000 0.233) 1.347 3.636 ( 10.104 0.000 -0.030) 10.104 3.636 ( 10.104 0.000 0.030) 10.104 3.833 ( -4.245 0.000 -0.179) 4.249 3.833 ( -4.245 0.000 0.179) 4.249 4.269 ( 1.335 0.000 -1.880) 2.305 4.269 ( 1.335 0.000 1.880) 2.305 4.445 ( 10.163 0.000 -1.405) 10.260 4.445 ( 10.163 0.000 1.405) 10.260 4.559 ( 2.747 0.000 -0.967) 2.913 4.559 ( 2.747 0.000 0.967) 2.913 4.776 ( -1.791 0.000 -4.711) 5.040 4.776 ( -1.791 0.000 4.711) 5.040 5.007 ( 3.865 0.000 -0.628) 3.916 5.007 ( 3.865 0.000 0.628) 3.916 5.349 ( -2.356 0.000 -0.762) 2.476 5.349 ( -2.356 0.000 0.762) 2.476 5.530 ( 6.954 0.000 -1.618) 7.140 5.530 ( 6.954 0.000 1.618) 7.140 5.723 ( 1.390 0.000 -1.379) 1.958 5.723 ( 1.390 0.000 1.379) 1.958 5.843 ( 8.777 0.000 -4.713) 9.962 5.843 ( 8.777 0.000 4.713) 9.962 5.924 ( 4.504 0.000 -1.406) 4.719 5.924 ( 4.504 0.000 1.406) 4.719 5.930 ( 2.833 0.000 -0.808) 2.946 5.930 ( 2.833 0.000 0.808) 2.946 6.280 ( 1.235 0.000 -0.734) 1.437 6.280 ( 1.235 0.000 0.734) 1.437 6.370 ( 2.269 0.000 -1.375) 2.653 6.370 ( 2.269 0.000 1.375) 2.653 6.448 ( 0.918 0.000 -2.073) 2.267 6.448 ( 0.918 0.000 2.073) 2.267 6.751 ( 3.737 0.000 -1.849) 4.170 6.751 ( 3.737 0.000 1.849) 4.170 6.875 ( -3.698 0.000 -0.603) 3.747 6.875 ( -3.698 0.000 0.603) 3.747 6.973 ( -0.494 0.000 -4.106) 4.136 6.973 ( -0.494 0.000 4.106) 4.136 7.065 ( -2.568 0.000 -3.049) 3.986 7.065 ( -2.568 0.000 3.049) 3.986 7.347 ( 2.811 0.000 -2.039) 3.472 7.347 ( 2.811 0.000 2.039) 3.472 7.417 ( 4.163 0.000 -1.439) 4.405 7.417 ( 4.163 0.000 1.439) 4.405 7.517 ( -0.060 0.000 -0.411) 0.415 7.517 ( -0.060 0.000 0.411) 0.415 7.742 ( -0.269 0.000 -3.658) 3.668 7.742 ( -0.269 0.000 3.658) 3.668 7.881 ( -0.778 0.000 -3.133) 3.229 7.881 ( -0.778 0.000 3.133) 3.229 8.123 ( -3.199 0.000 -1.662) 3.605 8.123 ( -3.199 0.000 1.662) 3.605 8.250 ( -0.923 0.000 -2.360) 2.534 8.250 ( -0.923 0.000 2.360) 2.534 8.442 ( -7.097 0.000 -0.651) 7.127 8.442 ( -7.097 0.000 0.651) 7.127 8.654 ( -2.693 0.000 -0.525) 2.744 8.654 ( -2.693 0.000 0.525) 2.744 8.722 ( -3.530 0.000 -0.911) 3.646 8.722 ( -3.530 0.000 0.911) 3.646 8.828 ( -3.702 0.000 -0.529) 3.740 8.828 ( -3.702 0.000 0.529) 3.740 8.923 ( -2.000 0.000 -0.293) 2.022 8.923 ( -2.000 0.000 0.293) 2.022 9.027 ( -2.054 0.000 -1.306) 2.434 9.027 ( -2.054 0.000 1.306) 2.434 9.308 ( -4.210 0.000 -0.434) 4.232 9.308 ( -4.210 0.000 0.434) 4.232 9.566 ( -4.018 0.000 -1.645) 4.342 9.566 ( -4.018 0.000 1.645) 4.342 9.747 ( 9.142 0.000 -0.390) 9.150 9.747 ( 9.142 0.000 0.390) 9.150 10.005 ( -5.262 0.000 -0.914) 5.341 10.005 ( -5.262 0.000 0.914) 5.341 ======================= Grid point 82 (31/42) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 4.864 0.000 -4.886) 6.894 0.865 ( 4.864 0.000 4.886) 6.894 0.969 ( 7.113 0.000 -3.756) 8.044 0.969 ( 7.113 0.000 3.756) 8.044 1.123 ( 2.077 0.000 -0.255) 2.093 1.123 ( 2.077 0.000 0.255) 2.093 1.219 ( 5.846 0.000 -0.076) 5.847 1.219 ( 5.846 0.000 0.076) 5.847 1.305 ( 6.842 0.000 -0.109) 6.843 1.305 ( 6.842 0.000 0.109) 6.843 1.434 ( 4.516 0.000 -1.024) 4.630 1.434 ( 4.516 0.000 1.024) 4.630 1.572 ( 6.715 0.000 -1.190) 6.820 1.572 ( 6.715 0.000 1.190) 6.820 1.621 ( 7.560 0.000 -0.468) 7.574 1.621 ( 7.560 0.000 0.468) 7.574 1.700 ( 3.444 0.000 -1.786) 3.880 1.700 ( 3.444 0.000 1.786) 3.880 1.818 ( 7.082 0.000 -3.469) 7.886 1.818 ( 7.082 0.000 3.469) 7.886 1.900 ( 4.546 0.000 -3.702) 5.863 1.900 ( 4.546 0.000 3.702) 5.863 1.989 ( 5.252 0.000 -1.532) 5.471 1.989 ( 5.252 0.000 1.532) 5.471 2.161 ( 14.081 0.000 -4.713) 14.848 2.161 ( 14.081 0.000 4.713) 14.848 2.336 ( 12.338 0.000 -3.805) 12.911 2.336 ( 12.338 0.000 3.805) 12.911 2.439 ( 8.651 0.000 -0.090) 8.652 2.439 ( 8.651 0.000 0.090) 8.652 2.603 ( 10.224 0.000 -2.667) 10.566 2.603 ( 10.224 0.000 2.667) 10.566 2.647 ( 11.000 0.000 -0.610) 11.017 2.647 ( 11.000 0.000 0.610) 11.017 2.753 ( 13.862 0.000 -2.113) 14.022 2.753 ( 13.862 0.000 2.113) 14.022 2.779 ( 7.513 0.000 -0.029) 7.513 2.779 ( 7.513 0.000 0.029) 7.513 2.956 ( 4.940 0.000 -1.345) 5.120 2.956 ( 4.940 0.000 1.345) 5.120 3.052 ( 2.994 0.000 -0.613) 3.056 3.052 ( 2.994 0.000 0.613) 3.056 3.264 ( 2.398 0.000 -2.537) 3.491 3.264 ( 2.398 0.000 2.537) 3.491 3.442 ( 0.760 0.000 -1.115) 1.350 3.442 ( 0.760 0.000 1.115) 1.350 3.722 ( -6.420 0.000 -0.240) 6.424 3.722 ( -6.420 0.000 0.240) 6.424 3.883 ( 13.371 0.000 -0.460) 13.379 3.883 ( 13.371 0.000 0.460) 13.379 4.307 ( 2.010 0.000 -0.277) 2.029 4.307 ( 2.010 0.000 0.277) 2.029 4.475 ( -1.788 0.000 -0.456) 1.845 4.475 ( -1.788 0.000 0.456) 1.845 4.742 ( 0.258 0.000 -4.561) 4.568 4.742 ( 0.258 0.000 4.561) 4.568 4.817 ( 11.794 0.000 -1.839) 11.937 4.817 ( 11.794 0.000 1.839) 11.937 5.008 ( 0.768 0.000 -1.275) 1.489 5.008 ( 0.768 0.000 1.275) 1.489 5.430 ( 8.000 0.000 -0.880) 8.049 5.430 ( 8.000 0.000 0.880) 8.049 5.670 ( 4.600 0.000 -4.077) 6.147 5.670 ( 4.600 0.000 4.077) 6.147 5.773 ( 5.185 0.000 -2.011) 5.561 5.773 ( 5.185 0.000 2.011) 5.561 5.914 ( 1.490 0.000 -0.695) 1.644 5.914 ( 1.490 0.000 0.695) 1.644 6.023 ( 5.913 0.000 -3.508) 6.875 6.023 ( 5.913 0.000 3.508) 6.875 6.104 ( 9.979 0.000 -2.716) 10.342 6.104 ( 9.979 0.000 2.716) 10.342 6.315 ( 1.994 0.000 -0.932) 2.201 6.315 ( 1.994 0.000 0.932) 2.201 6.389 ( -0.445 0.000 -0.025) 0.446 6.389 ( -0.445 0.000 0.025) 0.446 6.492 ( 2.907 0.000 -0.497) 2.949 6.492 ( 2.907 0.000 0.497) 2.949 6.773 ( -0.050 0.000 -1.012) 1.013 6.773 ( -0.050 0.000 1.012) 1.013 6.852 ( -0.908 0.000 -0.852) 1.246 6.852 ( -0.908 0.000 0.852) 1.246 6.960 ( 0.157 0.000 -0.319) 0.356 6.960 ( 0.157 0.000 0.319) 0.356 7.037 ( -0.028 0.000 -3.370) 3.370 7.037 ( -0.028 0.000 3.370) 3.370 7.373 ( -0.681 0.000 -3.026) 3.102 7.373 ( -0.681 0.000 3.026) 3.102 7.446 ( -3.138 0.000 -0.435) 3.168 7.446 ( -3.138 0.000 0.435) 3.168 7.510 ( 0.712 0.000 -0.659) 0.971 7.510 ( 0.712 0.000 0.659) 0.971 7.745 ( 0.771 0.000 -3.966) 4.040 7.745 ( 0.771 0.000 3.966) 4.040 7.881 ( 0.713 0.000 -0.336) 0.789 7.881 ( 0.713 0.000 0.336) 0.789 8.019 ( -6.091 0.000 -1.437) 6.258 8.019 ( -6.091 0.000 1.437) 6.258 8.206 ( -7.933 0.000 -0.813) 7.975 8.206 ( -7.933 0.000 0.813) 7.975 8.310 ( -1.145 0.000 -2.111) 2.402 8.310 ( -1.145 0.000 2.111) 2.402 8.573 ( -5.042 0.000 -0.783) 5.102 8.573 ( -5.042 0.000 0.783) 5.102 8.657 ( -2.954 0.000 -1.657) 3.387 8.657 ( -2.954 0.000 1.657) 3.387 8.753 ( -3.303 0.000 -1.009) 3.454 8.753 ( -3.303 0.000 1.009) 3.454 8.887 ( -1.540 0.000 -0.121) 1.545 8.887 ( -1.540 0.000 0.121) 1.545 8.982 ( -2.192 0.000 -1.707) 2.778 8.982 ( -2.192 0.000 1.707) 2.778 9.216 ( -4.836 0.000 -0.310) 4.846 9.216 ( -4.836 0.000 0.310) 4.846 9.471 ( -5.124 0.000 -0.369) 5.137 9.471 ( -5.124 0.000 0.369) 5.137 9.850 ( -7.005 0.000 -0.937) 7.068 9.850 ( -7.005 0.000 0.937) 7.068 9.949 ( 7.516 0.000 -0.800) 7.559 9.949 ( 7.516 0.000 0.800) 7.559 ======================= Grid point 84 (32/42) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 5.841 0.000 -1.284) 5.981 0.979 ( 5.841 0.000 1.284) 5.981 1.112 ( 5.920 0.000 -1.133) 6.027 1.112 ( 5.920 0.000 1.133) 6.027 1.170 ( 2.318 0.000 -1.636) 2.837 1.170 ( 2.318 0.000 1.636) 2.837 1.300 ( 2.675 0.000 -0.920) 2.829 1.300 ( 2.675 0.000 0.920) 2.829 1.437 ( 5.096 0.000 -0.312) 5.105 1.437 ( 5.096 0.000 0.312) 5.105 1.514 ( 4.744 0.000 -3.051) 5.640 1.514 ( 4.744 0.000 3.051) 5.640 1.677 ( 2.951 0.000 -2.684) 3.989 1.677 ( 2.951 0.000 2.684) 3.989 1.757 ( 5.803 0.000 -1.228) 5.932 1.757 ( 5.803 0.000 1.228) 5.932 1.796 ( 6.891 0.000 -0.840) 6.942 1.796 ( 6.891 0.000 0.840) 6.942 1.960 ( 7.140 0.000 -0.669) 7.171 1.960 ( 7.140 0.000 0.669) 7.171 2.016 ( 7.185 0.000 -2.250) 7.529 2.016 ( 7.185 0.000 2.250) 7.529 2.112 ( 6.414 0.000 -1.329) 6.550 2.112 ( 6.414 0.000 1.329) 6.550 2.350 ( 5.140 0.000 -1.300) 5.302 2.350 ( 5.140 0.000 1.300) 5.302 2.488 ( 5.464 0.000 -2.155) 5.874 2.488 ( 5.464 0.000 2.155) 5.874 2.579 ( 6.031 0.000 -0.309) 6.039 2.579 ( 6.031 0.000 0.309) 6.039 2.731 ( -1.686 0.000 -0.330) 1.718 2.731 ( -1.686 0.000 0.330) 1.718 2.792 ( -0.780 0.000 -1.395) 1.599 2.792 ( -0.780 0.000 1.395) 1.599 2.883 ( 9.710 0.000 -1.112) 9.773 2.883 ( 9.710 0.000 1.112) 9.773 3.051 ( 14.358 0.000 -2.314) 14.544 3.051 ( 14.358 0.000 2.314) 14.544 3.209 ( 18.620 0.000 -1.552) 18.685 3.209 ( 18.620 0.000 1.552) 18.685 3.303 ( 15.864 0.000 -1.315) 15.918 3.303 ( 15.864 0.000 1.315) 15.918 3.380 ( 11.396 0.000 -3.305) 11.865 3.380 ( 11.396 0.000 3.305) 11.865 3.552 ( 8.918 0.000 -4.777) 10.116 3.552 ( 8.918 0.000 4.777) 10.116 3.604 ( -1.851 0.000 -0.127) 1.855 3.604 ( -1.851 0.000 0.127) 1.855 4.132 ( 10.339 0.000 -0.601) 10.356 4.132 ( 10.339 0.000 0.601) 10.356 4.339 ( 1.768 0.000 -1.795) 2.520 4.339 ( 1.768 0.000 1.795) 2.520 4.446 ( -0.365 0.000 -0.253) 0.444 4.446 ( -0.365 0.000 0.253) 0.444 4.692 ( -4.482 0.000 -3.992) 6.002 4.692 ( -4.482 0.000 3.992) 6.002 4.929 ( 3.956 0.000 -4.215) 5.781 4.929 ( 3.956 0.000 4.215) 5.781 5.176 ( 9.849 0.000 -0.497) 9.861 5.176 ( 9.849 0.000 0.497) 9.861 5.559 ( 3.044 0.000 -2.446) 3.905 5.559 ( 3.044 0.000 2.446) 3.905 5.741 ( 4.744 0.000 -4.346) 6.434 5.741 ( 4.744 0.000 4.346) 6.434 5.862 ( 2.499 0.000 -2.952) 3.868 5.862 ( 2.499 0.000 2.952) 3.868 5.993 ( 6.862 0.000 -1.523) 7.029 5.993 ( 6.862 0.000 1.523) 7.029 6.146 ( 6.262 0.000 -3.926) 7.391 6.146 ( 6.262 0.000 3.926) 7.391 6.230 ( -0.200 0.000 -1.015) 1.035 6.230 ( -0.200 0.000 1.015) 1.035 6.321 ( 0.756 0.000 -2.585) 2.693 6.321 ( 0.756 0.000 2.585) 2.693 6.418 ( 3.426 0.000 -1.495) 3.738 6.418 ( 3.426 0.000 1.495) 3.738 6.538 ( 1.991 0.000 -0.371) 2.026 6.538 ( 1.991 0.000 0.371) 2.026 6.775 ( -4.916 0.000 -0.222) 4.921 6.775 ( -4.916 0.000 0.222) 4.921 6.816 ( 2.643 0.000 -2.851) 3.888 6.816 ( 2.643 0.000 2.851) 3.888 6.948 ( -2.520 0.000 -5.350) 5.914 6.948 ( -2.520 0.000 5.350) 5.914 7.069 ( 2.600 0.000 -3.033) 3.995 7.069 ( 2.600 0.000 3.033) 3.995 7.299 ( -5.251 0.000 -2.366) 5.760 7.299 ( -5.251 0.000 2.366) 5.760 7.400 ( -0.527 0.000 -2.384) 2.441 7.400 ( -0.527 0.000 2.384) 2.441 7.510 ( -0.424 0.000 -0.909) 1.003 7.510 ( -0.424 0.000 0.909) 1.003 7.761 ( -0.157 0.000 -2.384) 2.389 7.761 ( -0.157 0.000 2.384) 2.389 7.877 ( -0.921 0.000 -0.587) 1.092 7.877 ( -0.921 0.000 0.587) 1.092 7.915 ( -6.665 0.000 -1.226) 6.776 7.915 ( -6.665 0.000 1.226) 6.776 8.039 ( -3.507 0.000 -1.475) 3.804 8.039 ( -3.507 0.000 1.475) 3.804 8.336 ( 1.522 0.000 -2.500) 2.927 8.336 ( 1.522 0.000 2.500) 2.927 8.478 ( -3.983 0.000 -2.698) 4.811 8.478 ( -3.983 0.000 2.698) 4.811 8.603 ( -2.396 0.000 -1.784) 2.987 8.603 ( -2.396 0.000 1.784) 2.987 8.709 ( -0.970 0.000 -1.074) 1.448 8.709 ( -0.970 0.000 1.074) 1.448 8.860 ( -1.230 0.000 -0.581) 1.361 8.860 ( -1.230 0.000 0.581) 1.361 8.953 ( -0.565 0.000 -1.571) 1.670 8.953 ( -0.565 0.000 1.571) 1.670 9.124 ( -4.288 0.000 -0.195) 4.293 9.124 ( -4.288 0.000 0.195) 4.293 9.373 ( -4.639 0.000 -0.897) 4.725 9.373 ( -4.639 0.000 0.897) 4.725 9.672 ( -9.674 0.000 -0.656) 9.696 9.672 ( -9.674 0.000 0.656) 9.696 10.101 ( 6.678 0.000 -0.155) 6.680 10.101 ( 6.678 0.000 0.155) 6.680 ======================= Grid point 86 (33/42) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.328 0.000 -0.392) 0.511 1.055 ( 0.328 0.000 0.392) 0.511 1.156 ( -0.045 0.000 -0.907) 0.909 1.156 ( -0.045 0.000 0.907) 0.909 1.224 ( 2.436 0.000 -0.289) 2.453 1.224 ( 2.436 0.000 0.289) 2.453 1.326 ( 0.277 0.000 -1.160) 1.192 1.326 ( 0.277 0.000 1.160) 1.192 1.524 ( 3.636 0.000 -0.958) 3.760 1.524 ( 3.636 0.000 0.958) 3.760 1.582 ( 1.431 0.000 -1.246) 1.897 1.582 ( 1.431 0.000 1.246) 1.897 1.745 ( 5.204 0.000 -2.921) 5.967 1.745 ( 5.204 0.000 2.921) 5.967 1.863 ( 5.128 0.000 -1.027) 5.230 1.863 ( 5.128 0.000 1.027) 5.230 1.956 ( 8.671 0.000 -1.315) 8.770 1.956 ( 8.671 0.000 1.315) 8.770 2.085 ( 5.406 0.000 -2.913) 6.141 2.085 ( 5.406 0.000 2.913) 6.141 2.169 ( 6.994 0.000 -2.825) 7.543 2.169 ( 6.994 0.000 2.825) 7.543 2.227 ( 5.286 0.000 -1.785) 5.579 2.227 ( 5.286 0.000 1.785) 5.579 2.395 ( 0.221 0.000 -2.214) 2.225 2.395 ( 0.221 0.000 2.214) 2.225 2.582 ( 2.876 0.000 -2.326) 3.699 2.582 ( 2.876 0.000 2.326) 3.699 2.622 ( -3.431 0.000 -1.127) 3.612 2.622 ( -3.431 0.000 1.127) 3.612 2.723 ( 2.131 0.000 -0.706) 2.245 2.723 ( 2.131 0.000 0.706) 2.245 2.784 ( 2.499 0.000 -0.541) 2.557 2.784 ( 2.499 0.000 0.541) 2.557 2.950 ( -1.645 0.000 -2.127) 2.689 2.950 ( -1.645 0.000 2.127) 2.689 3.256 ( 3.452 0.000 -2.072) 4.026 3.256 ( 3.452 0.000 2.072) 4.026 3.450 ( 7.295 0.000 -1.766) 7.506 3.450 ( 7.295 0.000 1.766) 7.506 3.553 ( 10.740 0.000 -1.483) 10.842 3.553 ( 10.740 0.000 1.483) 10.842 3.656 ( 11.747 0.000 -1.388) 11.828 3.656 ( 11.747 0.000 1.388) 11.828 3.750 ( 20.806 0.000 -2.270) 20.930 3.750 ( 20.806 0.000 2.270) 20.930 3.876 ( 16.353 0.000 -3.849) 16.800 3.876 ( 16.353 0.000 3.849) 16.800 4.224 ( 0.474 0.000 -1.238) 1.326 4.224 ( 0.474 0.000 1.238) 1.326 4.411 ( 4.093 0.000 -1.519) 4.365 4.411 ( 4.093 0.000 1.519) 4.365 4.503 ( 5.643 0.000 -1.381) 5.810 4.503 ( 5.643 0.000 1.381) 5.810 4.611 ( -1.677 0.000 -2.596) 3.091 4.611 ( -1.677 0.000 2.596) 3.091 5.015 ( 3.549 0.000 -5.630) 6.655 5.015 ( 3.549 0.000 5.630) 6.655 5.278 ( 0.359 0.000 -0.494) 0.611 5.278 ( 0.359 0.000 0.494) 0.611 5.556 ( -1.716 0.000 -3.078) 3.523 5.556 ( -1.716 0.000 3.078) 3.523 5.851 ( 4.738 0.000 -6.218) 7.818 5.851 ( 4.738 0.000 6.218) 7.818 5.927 ( 4.491 0.000 -1.228) 4.656 5.927 ( 4.491 0.000 1.228) 4.656 6.115 ( -0.186 0.000 -1.620) 1.630 6.115 ( -0.186 0.000 1.620) 1.630 6.172 ( 2.627 0.000 -1.297) 2.930 6.172 ( 2.627 0.000 1.297) 2.930 6.254 ( 3.402 0.000 -2.460) 4.198 6.254 ( 3.402 0.000 2.460) 4.198 6.348 ( 1.279 0.000 -3.765) 3.976 6.348 ( 1.279 0.000 3.765) 3.976 6.478 ( 1.548 0.000 -1.687) 2.290 6.478 ( 1.548 0.000 1.687) 2.290 6.572 ( 0.561 0.000 -2.038) 2.114 6.572 ( 0.561 0.000 2.038) 2.114 6.684 ( -1.779 0.000 -0.789) 1.946 6.684 ( -1.779 0.000 0.789) 1.946 6.836 ( -5.057 0.000 -2.566) 5.671 6.836 ( -5.057 0.000 2.566) 5.671 6.892 ( 0.556 0.000 -1.473) 1.574 6.892 ( 0.556 0.000 1.473) 1.574 7.092 ( -0.519 0.000 -2.134) 2.196 7.092 ( -0.519 0.000 2.134) 2.196 7.235 ( -0.779 0.000 -3.661) 3.743 7.235 ( -0.779 0.000 3.661) 3.743 7.432 ( 3.111 0.000 -2.387) 3.922 7.432 ( 3.111 0.000 2.387) 3.922 7.504 ( 0.327 0.000 -0.573) 0.659 7.504 ( 0.327 0.000 0.573) 0.659 7.683 ( -8.687 0.000 -3.307) 9.295 7.683 ( -8.687 0.000 3.307) 9.295 7.794 ( -0.388 0.000 -1.821) 1.862 7.794 ( -0.388 0.000 1.821) 1.862 7.903 ( 2.029 0.000 -3.270) 3.849 7.903 ( 2.029 0.000 3.270) 3.849 8.048 ( 1.552 0.000 -1.374) 2.073 8.048 ( 1.552 0.000 1.374) 2.073 8.348 ( -0.231 0.000 -1.034) 1.060 8.348 ( -0.231 0.000 1.034) 1.060 8.425 ( -1.435 0.000 -2.540) 2.917 8.425 ( -1.435 0.000 2.540) 2.917 8.569 ( -0.844 0.000 -1.172) 1.444 8.569 ( -0.844 0.000 1.172) 1.444 8.711 ( 1.011 0.000 -0.751) 1.260 8.711 ( 1.011 0.000 0.751) 1.260 8.842 ( -0.409 0.000 -1.291) 1.354 8.842 ( -0.409 0.000 1.291) 1.354 8.952 ( 0.179 0.000 -0.923) 0.941 8.952 ( 0.179 0.000 0.923) 0.941 9.052 ( -2.818 0.000 -0.598) 2.881 9.052 ( -2.818 0.000 0.598) 2.881 9.286 ( -4.145 0.000 -1.531) 4.419 9.286 ( -4.145 0.000 1.531) 4.419 9.479 ( -9.597 0.000 -0.417) 9.606 9.479 ( -9.597 0.000 0.417) 9.606 10.207 ( 4.082 0.000 -0.432) 4.104 10.207 ( 4.082 0.000 0.432) 4.104 ======================= Grid point 88 (34/42) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -5.583 0.000 -0.779) 5.638 0.986 ( -5.583 0.000 0.779) 5.638 1.149 ( -1.502 0.000 -0.331) 1.538 1.149 ( -1.502 0.000 0.331) 1.538 1.250 ( 0.610 0.000 -0.354) 0.705 1.250 ( 0.610 0.000 0.354) 0.705 1.324 ( -0.060 0.000 -1.005) 1.007 1.324 ( -0.060 0.000 1.005) 1.007 1.571 ( 1.494 0.000 -0.451) 1.561 1.571 ( 1.494 0.000 0.451) 1.561 1.614 ( 2.214 0.000 -0.266) 2.230 1.614 ( 2.214 0.000 0.266) 2.230 1.851 ( 4.218 0.000 -1.067) 4.351 1.851 ( 4.218 0.000 1.067) 4.351 1.970 ( 5.883 0.000 -1.478) 6.065 1.970 ( 5.883 0.000 1.478) 6.065 2.118 ( 6.452 0.000 -0.609) 6.480 2.118 ( 6.452 0.000 0.609) 6.480 2.173 ( 4.071 0.000 -3.243) 5.205 2.173 ( 4.071 0.000 3.243) 5.205 2.245 ( 0.626 0.000 -2.806) 2.875 2.245 ( 0.626 0.000 2.806) 2.875 2.300 ( -1.378 0.000 -0.432) 1.444 2.300 ( -1.378 0.000 0.432) 1.444 2.409 ( 4.266 0.000 -0.718) 4.326 2.409 ( 4.266 0.000 0.718) 4.326 2.527 ( -3.484 0.000 -3.284) 4.788 2.527 ( -3.484 0.000 3.284) 4.788 2.623 ( 0.463 0.000 -1.201) 1.287 2.623 ( 0.463 0.000 1.201) 1.287 2.725 ( -1.737 0.000 -1.643) 2.391 2.725 ( -1.737 0.000 1.643) 2.391 2.819 ( -2.560 0.000 -2.675) 3.703 2.819 ( -2.560 0.000 2.675) 3.703 2.940 ( 3.467 0.000 -0.865) 3.574 2.940 ( 3.467 0.000 0.865) 3.574 3.252 ( -0.381 0.000 -2.843) 2.869 3.252 ( -0.381 0.000 2.843) 2.869 3.634 ( 8.231 0.000 -1.414) 8.351 3.634 ( 8.231 0.000 1.414) 8.351 3.726 ( 6.577 0.000 -1.625) 6.775 3.726 ( 6.577 0.000 1.625) 6.775 3.864 ( 8.333 0.000 -0.168) 8.334 3.864 ( 8.333 0.000 0.168) 8.334 4.037 ( 5.198 0.000 -3.082) 6.043 4.037 ( 5.198 0.000 3.082) 6.043 4.130 ( 8.899 0.000 -1.768) 9.073 4.130 ( 8.899 0.000 1.768) 9.073 4.298 ( 8.683 0.000 -0.197) 8.685 4.298 ( 8.683 0.000 0.197) 8.685 4.481 ( 1.155 0.000 -0.309) 1.196 4.481 ( 1.155 0.000 0.309) 1.196 4.543 ( 3.649 0.000 -1.461) 3.931 4.543 ( 3.649 0.000 1.461) 3.931 4.721 ( 8.448 0.000 -0.183) 8.450 4.721 ( 8.448 0.000 0.183) 8.450 5.018 ( -3.795 0.000 -4.315) 5.746 5.018 ( -3.795 0.000 4.315) 5.746 5.256 ( -0.603 0.000 -0.350) 0.697 5.256 ( -0.603 0.000 0.350) 0.697 5.525 ( -1.399 0.000 -1.394) 1.975 5.525 ( -1.399 0.000 1.394) 1.975 5.901 ( -0.517 0.000 -4.141) 4.173 5.901 ( -0.517 0.000 4.141) 4.173 6.002 ( 3.438 0.000 -0.329) 3.454 6.002 ( 3.438 0.000 0.329) 3.454 6.089 ( 1.024 0.000 -1.621) 1.918 6.089 ( 1.024 0.000 1.621) 1.918 6.243 ( 1.372 0.000 -1.494) 2.028 6.243 ( 1.372 0.000 1.494) 2.028 6.314 ( 1.009 0.000 -4.057) 4.181 6.314 ( 1.009 0.000 4.057) 4.181 6.382 ( 4.133 0.000 -0.896) 4.229 6.382 ( 4.133 0.000 0.896) 4.229 6.479 ( -0.079 0.000 -0.557) 0.562 6.479 ( -0.079 0.000 0.557) 0.562 6.578 ( -0.007 0.000 -2.279) 2.279 6.578 ( -0.007 0.000 2.279) 2.279 6.660 ( -3.808 0.000 -3.712) 5.318 6.660 ( -3.808 0.000 3.712) 5.318 6.753 ( -0.161 0.000 -2.451) 2.456 6.753 ( -0.161 0.000 2.451) 2.456 6.876 ( -2.667 0.000 -6.022) 6.586 6.876 ( -2.667 0.000 6.022) 6.586 7.095 ( 1.193 0.000 -3.332) 3.539 7.095 ( 1.193 0.000 3.332) 3.539 7.245 ( 1.354 0.000 -1.397) 1.945 7.245 ( 1.354 0.000 1.397) 1.945 7.437 ( -1.714 0.000 -1.059) 2.015 7.437 ( -1.714 0.000 1.059) 2.015 7.522 ( -6.220 0.000 -3.310) 7.046 7.522 ( -6.220 0.000 3.310) 7.046 7.578 ( 5.144 0.000 -0.413) 5.161 7.578 ( 5.144 0.000 0.413) 5.161 7.829 ( 2.717 0.000 -1.874) 3.301 7.829 ( 2.717 0.000 1.874) 3.301 7.937 ( 1.132 0.000 -3.969) 4.127 7.937 ( 1.132 0.000 3.969) 4.127 8.063 ( -0.113 0.000 -0.274) 0.296 8.063 ( -0.113 0.000 0.274) 0.296 8.343 ( -0.095 0.000 -0.075) 0.121 8.343 ( -0.095 0.000 0.075) 0.121 8.411 ( -0.188 0.000 -1.826) 1.836 8.411 ( -0.188 0.000 1.826) 1.836 8.572 ( 0.980 0.000 -0.162) 0.993 8.572 ( 0.980 0.000 0.162) 0.993 8.743 ( 2.032 0.000 -0.119) 2.035 8.743 ( 2.032 0.000 0.119) 2.035 8.848 ( 0.964 0.000 -1.122) 1.479 8.848 ( 0.964 0.000 1.122) 1.479 8.956 ( 0.025 0.000 -0.543) 0.543 8.956 ( 0.025 0.000 0.543) 0.543 9.014 ( -0.856 0.000 -1.206) 1.479 9.014 ( -0.856 0.000 1.206) 1.479 9.205 ( -4.047 0.000 -1.537) 4.329 9.205 ( -4.047 0.000 1.537) 4.329 9.297 ( -8.468 0.000 -0.094) 8.469 9.297 ( -8.468 0.000 0.094) 8.469 10.266 ( 1.917 0.000 -0.866) 2.104 10.266 ( 1.917 0.000 0.866) 2.104 ======================= Grid point 90 (35/42) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -3.002 0.000 -0.536) 3.049 0.890 ( -3.002 0.000 0.536) 3.049 1.110 ( -1.518 0.000 -0.707) 1.675 1.110 ( -1.518 0.000 0.707) 1.675 1.256 ( 0.034 0.000 -0.561) 0.562 1.256 ( 0.034 0.000 0.561) 0.562 1.330 ( 0.380 0.000 -0.257) 0.459 1.330 ( 0.380 0.000 0.257) 0.459 1.597 ( 0.883 0.000 -0.659) 1.102 1.597 ( 0.883 0.000 0.659) 1.102 1.651 ( 1.098 0.000 -0.125) 1.105 1.651 ( 1.098 0.000 0.125) 1.105 1.901 ( 1.117 0.000 -0.162) 1.129 1.901 ( 1.117 0.000 0.162) 1.129 2.086 ( 5.176 0.000 -1.458) 5.377 2.086 ( 5.176 0.000 1.458) 5.377 2.160 ( -1.045 0.000 -2.657) 2.855 2.160 ( -1.045 0.000 2.657) 2.855 2.200 ( -3.298 0.000 -1.008) 3.449 2.200 ( -3.298 0.000 1.008) 3.449 2.235 ( -0.845 0.000 -0.726) 1.114 2.235 ( -0.845 0.000 0.726) 1.114 2.302 ( 5.018 0.000 -3.658) 6.209 2.302 ( 5.018 0.000 3.658) 6.209 2.452 ( -3.442 0.000 -4.445) 5.622 2.452 ( -3.442 0.000 4.445) 5.622 2.525 ( 3.959 0.000 -1.683) 4.302 2.525 ( 3.959 0.000 1.683) 4.302 2.628 ( 0.144 0.000 -0.544) 0.562 2.628 ( 0.144 0.000 0.544) 0.562 2.670 ( -2.051 0.000 -0.772) 2.191 2.670 ( -2.051 0.000 0.772) 2.191 2.766 ( -2.050 0.000 -6.114) 6.449 2.766 ( -2.050 0.000 6.115) 6.449 3.007 ( 2.010 0.000 -0.235) 2.024 3.007 ( 2.010 0.000 0.235) 2.024 3.260 ( 0.597 0.000 -4.175) 4.217 3.260 ( 0.597 0.000 4.175) 4.217 3.731 ( 1.885 0.000 -0.352) 1.918 3.731 ( 1.885 0.000 0.352) 1.918 3.821 ( 2.756 0.000 -2.320) 3.603 3.821 ( 2.756 0.000 2.320) 3.603 3.977 ( 3.010 0.000 -0.525) 3.055 3.977 ( 3.010 0.000 0.525) 3.055 4.069 ( 0.149 0.000 -4.362) 4.364 4.069 ( 0.149 0.000 4.362) 4.364 4.235 ( 2.175 0.000 -0.012) 2.175 4.235 ( 2.175 0.000 0.012) 2.175 4.420 ( 1.685 0.000 -0.346) 1.721 4.420 ( 1.685 0.000 0.346) 1.721 4.515 ( 2.842 0.000 -0.890) 2.978 4.515 ( 2.842 0.000 0.890) 2.978 4.641 ( 3.751 0.000 -0.866) 3.850 4.641 ( 3.751 0.000 0.866) 3.850 4.858 ( 4.528 0.000 -0.067) 4.529 4.858 ( 4.528 0.000 0.067) 4.529 4.922 ( -4.019 0.000 -1.940) 4.462 4.922 ( -4.019 0.000 1.940) 4.462 5.253 ( -0.190 0.000 -0.172) 0.256 5.253 ( -0.190 0.000 0.172) 0.256 5.501 ( -0.779 0.000 -0.142) 0.791 5.501 ( -0.779 0.000 0.142) 0.791 5.876 ( -0.806 0.000 -0.230) 0.838 5.876 ( -0.806 0.000 0.230) 0.838 6.052 ( 0.749 0.000 -1.020) 1.266 6.052 ( 0.749 0.000 1.020) 1.266 6.143 ( 4.097 0.000 -4.912) 6.396 6.143 ( 4.097 0.000 4.912) 6.396 6.221 ( -2.920 0.000 -1.998) 3.539 6.221 ( -2.920 0.000 1.998) 3.539 6.323 ( 0.392 0.000 -6.743) 6.754 6.323 ( 0.392 0.000 6.743) 6.754 6.470 ( 3.198 0.000 -1.043) 3.364 6.470 ( 3.198 0.000 1.043) 3.364 6.502 ( 1.564 0.000 -0.242) 1.583 6.502 ( 1.564 0.000 0.242) 1.583 6.552 ( -1.777 0.000 -0.794) 1.947 6.552 ( -1.777 0.000 0.794) 1.947 6.581 ( -2.706 0.000 -0.256) 2.718 6.581 ( -2.706 0.000 0.256) 2.718 6.782 ( 1.680 0.000 -1.044) 1.978 6.782 ( 1.680 0.000 1.044) 1.978 6.817 ( -2.481 0.000 -3.675) 4.433 6.817 ( -2.481 0.000 3.675) 4.433 7.115 ( 0.452 0.000 -5.460) 5.478 7.115 ( 0.452 0.000 5.460) 5.478 7.277 ( 1.309 0.000 -1.912) 2.318 7.277 ( 1.309 0.000 1.912) 2.318 7.409 ( -0.408 0.000 -0.469) 0.622 7.409 ( -0.408 0.000 0.469) 0.622 7.434 ( -2.774 0.000 -0.726) 2.867 7.434 ( -2.774 0.000 0.726) 2.867 7.657 ( 2.239 0.000 -0.076) 2.240 7.657 ( 2.239 0.000 0.076) 2.240 7.878 ( 1.829 0.000 -0.300) 1.853 7.878 ( 1.829 0.000 0.300) 1.853 7.943 ( -0.312 0.000 -5.042) 5.051 7.943 ( -0.312 0.000 5.042) 5.051 8.054 ( -0.436 0.000 -0.777) 0.891 8.054 ( -0.436 0.000 0.777) 0.891 8.341 ( -0.075 0.000 -0.656) 0.661 8.341 ( -0.075 0.000 0.656) 0.661 8.412 ( 0.172 0.000 -1.416) 1.427 8.412 ( 0.172 0.000 1.416) 1.427 8.594 ( 0.849 0.000 -0.937) 1.264 8.594 ( 0.849 0.000 0.937) 1.264 8.783 ( 1.556 0.000 -1.182) 1.954 8.783 ( 1.556 0.000 1.182) 1.954 8.874 ( 1.311 0.000 -0.423) 1.377 8.874 ( 1.311 0.000 0.423) 1.377 8.942 ( -0.969 0.000 -0.741) 1.220 8.942 ( -0.969 0.000 0.741) 1.220 9.032 ( 2.188 0.000 -0.192) 2.197 9.032 ( 2.188 0.000 0.192) 2.197 9.129 ( -3.291 0.000 -1.301) 3.539 9.129 ( -3.291 0.000 1.301) 3.539 9.159 ( -4.527 0.000 -0.333) 4.540 9.159 ( -4.527 0.000 0.333) 4.540 10.289 ( 0.512 0.000 -1.113) 1.225 10.289 ( 0.512 0.000 1.113) 1.225 ======================= Grid point 104 (36/42) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 0.000 -4.771) 4.771 0.832 ( 0.000 0.000 4.771) 4.771 0.869 ( 0.000 0.000 -0.221) 0.221 0.869 ( 0.000 0.000 0.221) 0.221 0.956 ( 0.000 0.000 -0.848) 0.848 0.956 ( 0.000 0.000 0.848) 0.848 0.962 ( 0.000 0.000 -3.387) 3.387 0.962 ( 0.000 0.000 3.387) 3.387 1.199 ( 0.000 0.000 -5.195) 5.195 1.199 ( 0.000 0.000 5.195) 5.195 1.311 ( 0.000 0.000 -1.366) 1.366 1.311 ( 0.000 0.000 1.366) 1.366 1.384 ( 0.000 0.000 -1.117) 1.117 1.384 ( 0.000 0.000 1.117) 1.117 1.416 ( 0.000 0.000 -1.752) 1.752 1.416 ( 0.000 0.000 1.752) 1.752 1.536 ( 0.000 0.000 -1.507) 1.507 1.536 ( 0.000 0.000 1.507) 1.507 1.596 ( 0.000 0.000 -5.521) 5.521 1.596 ( 0.000 0.000 5.521) 5.521 1.741 ( 0.000 0.000 -7.386) 7.386 1.741 ( 0.000 0.000 7.386) 7.386 1.860 ( 0.000 0.000 -4.563) 4.563 1.860 ( 0.000 0.000 4.563) 4.563 1.940 ( 0.000 0.000 -4.158) 4.158 1.940 ( 0.000 0.000 4.158) 4.158 1.992 ( 0.000 0.000 -1.228) 1.228 1.992 ( 0.000 0.000 1.228) 1.228 2.125 ( 0.000 0.000 -0.675) 0.675 2.125 ( 0.000 0.000 0.675) 0.675 2.187 ( 0.000 0.000 -8.091) 8.091 2.187 ( 0.000 0.000 8.091) 8.091 2.381 ( 0.000 0.000 -2.426) 2.426 2.381 ( 0.000 0.000 2.426) 2.426 2.563 ( 0.000 0.000 -3.123) 3.123 2.563 ( 0.000 0.000 3.123) 3.123 2.738 ( 0.000 0.000 -2.400) 2.400 2.738 ( 0.000 0.000 2.400) 2.400 2.912 ( 0.000 0.000 -3.155) 3.155 2.912 ( 0.000 0.000 3.155) 3.155 3.095 ( 0.000 0.000 -0.050) 0.050 3.095 ( 0.000 0.000 0.050) 0.050 3.303 ( 0.000 0.000 -1.917) 1.917 3.303 ( 0.000 0.000 1.917) 1.917 3.449 ( 0.000 0.000 -0.050) 0.050 3.449 ( 0.000 0.000 0.050) 0.050 3.536 ( 0.000 0.000 -0.462) 0.462 3.536 ( 0.000 0.000 0.462) 0.462 3.884 ( 0.000 0.000 -0.410) 0.410 3.884 ( 0.000 0.000 0.410) 0.410 4.284 ( 0.000 0.000 -0.279) 0.279 4.284 ( 0.000 0.000 0.279) 0.279 4.295 ( 0.000 0.000 -0.688) 0.688 4.295 ( 0.000 0.000 0.688) 0.688 4.561 ( 0.000 0.000 -0.373) 0.373 4.561 ( 0.000 0.000 0.373) 0.373 4.801 ( 0.000 0.000 -4.782) 4.782 4.801 ( 0.000 0.000 4.782) 4.782 4.926 ( 0.000 0.000 -0.060) 0.060 4.926 ( 0.000 0.000 0.060) 0.060 5.388 ( 0.000 0.000 -1.471) 1.471 5.388 ( 0.000 0.000 1.471) 1.471 5.527 ( 0.000 0.000 -1.470) 1.470 5.527 ( 0.000 0.000 1.470) 1.470 5.597 ( 0.000 0.000 -0.421) 0.421 5.597 ( 0.000 0.000 0.421) 0.421 5.798 ( 0.000 0.000 -4.788) 4.788 5.798 ( 0.000 0.000 4.788) 4.788 5.872 ( 0.000 0.000 -2.228) 2.228 5.872 ( 0.000 0.000 2.228) 2.228 5.905 ( 0.000 0.000 -1.339) 1.339 5.905 ( 0.000 0.000 1.339) 1.339 6.266 ( 0.000 0.000 -0.157) 0.157 6.266 ( 0.000 0.000 0.157) 0.157 6.307 ( 0.000 0.000 -0.465) 0.465 6.307 ( 0.000 0.000 0.465) 0.465 6.444 ( 0.000 0.000 -1.993) 1.993 6.444 ( 0.000 0.000 1.993) 1.993 6.730 ( 0.000 0.000 -1.792) 1.792 6.730 ( 0.000 0.000 1.792) 1.792 6.948 ( 0.000 0.000 -3.119) 3.119 6.948 ( 0.000 0.000 3.119) 3.119 6.975 ( 0.000 0.000 -0.665) 0.665 6.975 ( 0.000 0.000 0.665) 0.665 7.100 ( 0.000 0.000 -4.272) 4.272 7.100 ( 0.000 0.000 4.272) 4.272 7.333 ( 0.000 0.000 -2.873) 2.873 7.333 ( 0.000 0.000 2.873) 2.873 7.339 ( 0.000 0.000 -0.135) 0.135 7.339 ( 0.000 0.000 0.135) 0.135 7.469 ( 0.000 0.000 -4.707) 4.707 7.469 ( 0.000 0.000 4.707) 4.707 7.732 ( 0.000 0.000 -2.084) 2.084 7.732 ( 0.000 0.000 2.084) 2.084 7.924 ( 0.000 0.000 -2.860) 2.860 7.924 ( 0.000 0.000 2.860) 2.860 8.103 ( 0.000 0.000 -3.951) 3.951 8.103 ( 0.000 0.000 3.951) 3.951 8.256 ( 0.000 0.000 -1.050) 1.050 8.256 ( 0.000 0.000 1.050) 1.050 8.540 ( 0.000 0.000 -4.494) 4.494 8.540 ( 0.000 0.000 4.494) 4.494 8.691 ( 0.000 0.000 -1.514) 1.514 8.691 ( 0.000 0.000 1.514) 1.514 8.784 ( 0.000 0.000 -0.927) 0.927 8.784 ( 0.000 0.000 0.927) 0.927 8.866 ( 0.000 0.000 -2.052) 2.052 8.866 ( 0.000 0.000 2.052) 2.052 8.939 ( 0.000 0.000 -1.251) 1.251 8.939 ( 0.000 0.000 1.251) 1.251 9.075 ( 0.000 0.000 -1.765) 1.765 9.075 ( 0.000 0.000 1.765) 1.765 9.368 ( 0.000 0.000 -0.464) 0.464 9.368 ( 0.000 0.000 0.464) 0.464 9.600 ( 0.000 0.000 -1.601) 1.601 9.600 ( 0.000 0.000 1.601) 1.601 9.622 ( 0.000 0.000 -0.809) 0.809 9.622 ( 0.000 0.000 0.809) 0.809 10.065 ( 0.000 0.000 -1.421) 1.421 10.065 ( 0.000 0.000 1.421) 1.421 ======================= Grid point 108 (37/42) ======================= q-point: ( 0.08 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.331 0.000 -1.701) 1.733 0.817 ( 0.331 0.000 1.701) 1.733 0.931 ( 2.748 0.000 -5.949) 6.553 0.931 ( 2.748 0.000 5.949) 6.553 0.989 ( 2.883 0.000 -7.628) 8.155 0.989 ( 2.883 -0.000 7.628) 8.155 1.042 ( 8.367 0.000 -4.769) 9.631 1.042 ( 8.367 0.000 4.769) 9.631 1.222 ( 2.296 0.000 -5.134) 5.624 1.222 ( 2.296 0.000 5.134) 5.624 1.328 ( 4.135 0.000 -0.952) 4.243 1.328 ( 4.135 0.000 0.952) 4.243 1.453 ( 5.262 0.000 -0.217) 5.266 1.453 ( 5.262 0.000 0.217) 5.266 1.504 ( 6.850 0.000 -1.044) 6.930 1.504 ( 6.850 0.000 1.044) 6.930 1.607 ( 6.675 0.000 -0.125) 6.676 1.607 ( 6.675 0.000 0.125) 6.676 1.727 ( 2.027 0.000 -1.354) 2.438 1.727 ( 2.027 0.000 1.354) 2.438 1.759 ( 10.110 0.000 -0.588) 10.128 1.759 ( 10.110 0.000 0.588) 10.128 1.904 ( 3.493 -0.000 -1.803) 3.931 1.904 ( 3.493 0.000 1.803) 3.931 1.962 ( 2.954 0.000 -1.498) 3.312 1.962 ( 2.954 0.000 1.498) 3.312 2.091 ( 13.052 0.000 -1.044) 13.093 2.091 ( 13.052 0.000 1.044) 13.093 2.221 ( 6.531 0.000 -5.825) 8.751 2.221 ( 6.531 0.000 5.825) 8.751 2.312 ( 12.733 0.000 -2.272) 12.935 2.312 ( 12.733 0.000 2.272) 12.935 2.488 ( 8.828 0.000 -1.727) 8.995 2.488 ( 8.828 0.000 1.727) 8.995 2.570 ( 2.406 0.000 -1.834) 3.025 2.570 ( 2.406 0.000 1.834) 3.025 2.745 ( 1.156 0.000 -1.545) 1.930 2.745 ( 1.156 0.000 1.545) 1.930 2.903 ( -0.237 0.000 -2.679) 2.690 2.903 ( -0.237 0.000 2.679) 2.690 3.049 ( -3.404 0.000 -0.140) 3.407 3.049 ( -3.404 0.000 0.140) 3.407 3.281 ( -1.286 0.000 -1.066) 1.670 3.281 ( -1.286 0.000 1.066) 1.670 3.458 ( -1.785 0.000 -0.047) 1.785 3.458 ( -1.785 0.000 0.047) 1.785 3.630 ( 10.535 0.000 -0.362) 10.541 3.630 ( 10.535 0.000 0.362) 10.541 3.839 ( -4.289 0.000 -0.101) 4.290 3.839 ( -4.289 0.000 0.101) 4.290 4.279 ( 0.981 0.000 -0.246) 1.011 4.279 ( 0.981 0.000 0.246) 1.011 4.449 ( 9.162 0.000 -1.505) 9.285 4.449 ( 9.162 0.000 1.505) 9.285 4.564 ( 3.949 0.000 -0.296) 3.960 4.564 ( 3.949 0.000 0.296) 3.960 4.772 ( -1.732 0.000 -5.218) 5.498 4.772 ( -1.732 0.000 5.218) 5.498 4.986 ( 2.728 0.000 -0.466) 2.767 4.986 ( 2.728 0.000 0.466) 2.767 5.390 ( -2.913 0.000 -1.560) 3.305 5.390 ( -2.913 0.000 1.560) 3.305 5.487 ( 8.310 0.000 -0.236) 8.313 5.487 ( 8.310 0.000 0.236) 8.313 5.763 ( 1.697 0.000 -2.125) 2.719 5.763 ( 1.697 0.000 2.125) 2.719 5.832 ( 9.053 0.000 -0.140) 9.054 5.832 ( 9.053 0.000 0.140) 9.054 5.906 ( 1.232 0.000 -1.504) 1.944 5.906 ( 1.232 0.000 1.504) 1.944 5.939 ( 5.621 0.000 -0.930) 5.697 5.939 ( 5.621 0.000 0.930) 5.697 6.269 ( 0.701 0.000 -0.791) 1.057 6.269 ( 0.701 0.000 0.791) 1.057 6.365 ( 4.096 0.000 -1.237) 4.279 6.365 ( 4.096 0.000 1.237) 4.279 6.448 ( 0.694 0.000 -1.900) 2.023 6.448 ( 0.694 0.000 1.900) 2.023 6.763 ( 2.767 0.000 -1.619) 3.206 6.763 ( 2.767 0.000 1.619) 3.206 6.877 ( -4.296 0.000 -0.610) 4.339 6.877 ( -4.296 0.000 0.610) 4.339 6.972 ( -1.506 0.000 -2.478) 2.900 6.972 ( -1.506 0.000 2.478) 2.900 7.100 ( -0.649 0.000 -2.264) 2.356 7.100 ( -0.649 0.000 2.264) 2.356 7.310 ( 0.693 0.000 -4.132) 4.189 7.310 ( 0.693 0.000 4.132) 4.189 7.421 ( 4.647 0.000 -1.841) 4.998 7.421 ( 4.647 0.000 1.841) 4.998 7.500 ( 1.646 0.000 -2.891) 3.327 7.500 ( 1.646 0.000 2.891) 3.327 7.739 ( 0.669 0.000 -1.061) 1.254 7.739 ( 0.669 0.000 1.061) 1.254 7.899 ( -2.343 0.000 -1.788) 2.947 7.899 ( -2.343 0.000 1.788) 2.947 8.080 ( -2.421 0.000 -0.826) 2.558 8.080 ( -2.421 0.000 0.826) 2.558 8.240 ( -0.817 0.000 -0.551) 0.985 8.240 ( -0.817 0.000 0.551) 0.985 8.473 ( -6.895 0.000 -4.161) 8.053 8.473 ( -6.895 0.000 4.161) 8.053 8.670 ( -2.283 0.000 -1.008) 2.496 8.670 ( -2.283 0.000 1.008) 2.496 8.730 ( -4.621 0.000 -0.317) 4.632 8.730 ( -4.621 0.000 0.317) 4.632 8.819 ( -3.696 0.000 -1.439) 3.966 8.819 ( -3.696 0.000 1.439) 3.966 8.916 ( -1.902 0.000 -1.404) 2.364 8.916 ( -1.902 0.000 1.404) 2.364 9.048 ( -2.346 0.000 -1.768) 2.937 9.048 ( -2.346 0.000 1.768) 2.937 9.307 ( -4.548 0.000 -0.005) 4.548 9.307 ( -4.548 0.000 0.005) 4.548 9.558 ( -3.712 0.000 -1.111) 3.875 9.558 ( -3.712 0.000 1.111) 3.875 9.745 ( 9.358 0.000 -0.299) 9.363 9.745 ( 9.358 0.000 0.299) 9.363 10.008 ( -5.351 0.000 -1.113) 5.465 10.008 ( -5.351 0.000 1.113) 5.465 ======================= Grid point 112 (38/42) ======================= q-point: ( 0.15 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 4.317 0.000 -3.472) 5.540 0.857 ( 4.317 0.000 3.472) 5.540 1.018 ( 5.872 0.000 -4.002) 7.106 1.018 ( 5.872 0.000 4.002) 7.106 1.062 ( 4.547 0.000 -0.152) 4.549 1.062 ( 4.547 -0.000 0.152) 4.549 1.212 ( 6.778 0.000 -3.038) 7.428 1.212 ( 6.778 0.000 3.038) 7.428 1.292 ( 5.417 0.000 -1.527) 5.629 1.292 ( 5.417 0.000 1.527) 5.629 1.446 ( 5.628 0.000 -1.343) 5.786 1.446 ( 5.628 0.000 1.343) 5.786 1.571 ( 5.812 0.000 -1.977) 6.139 1.571 ( 5.812 0.000 1.977) 6.139 1.634 ( 5.808 0.000 -2.100) 6.176 1.634 ( 5.808 0.000 2.100) 6.176 1.711 ( 5.407 0.000 -3.099) 6.232 1.711 ( 5.407 0.000 3.099) 6.232 1.817 ( 6.245 0.000 -3.031) 6.941 1.817 ( 6.245 0.000 3.031) 6.941 1.913 ( 5.934 0.000 -0.854) 5.995 1.913 ( 5.934 0.000 0.854) 5.995 1.966 ( 4.600 -0.000 -3.907) 6.035 1.966 ( 4.600 0.000 3.907) 6.035 2.198 ( 14.583 0.000 -2.105) 14.734 2.198 ( 14.583 0.000 2.105) 14.734 2.354 ( 8.368 0.000 -1.092) 8.438 2.354 ( 8.368 0.000 1.092) 8.438 2.410 ( 10.714 0.000 -2.853) 11.087 2.410 ( 10.714 0.000 2.853) 11.087 2.592 ( 14.568 0.000 -3.609) 15.008 2.592 ( 14.568 0.000 3.609) 15.008 2.631 ( 11.973 0.000 -0.674) 11.992 2.631 ( 11.973 0.000 0.674) 11.992 2.750 ( 7.196 0.000 -1.940) 7.453 2.750 ( 7.196 0.000 1.940) 7.453 2.812 ( 6.828 0.000 -0.035) 6.828 2.812 ( 6.828 0.000 0.035) 6.828 2.941 ( 6.226 0.000 -1.337) 6.368 2.941 ( 6.226 0.000 1.337) 6.368 3.033 ( 5.066 0.000 -0.208) 5.071 3.033 ( 5.066 0.000 0.208) 5.071 3.282 ( 2.062 0.000 -0.292) 2.083 3.282 ( 2.062 0.000 0.292) 2.083 3.429 ( 0.586 0.000 -0.900) 1.074 3.429 ( 0.586 0.000 0.900) 1.074 3.729 ( -6.366 0.000 -0.072) 6.367 3.729 ( -6.366 0.000 0.072) 6.367 3.882 ( 13.523 0.000 -0.582) 13.536 3.882 ( 13.523 0.000 0.582) 13.536 4.311 ( 1.865 0.000 -0.858) 2.053 4.311 ( 1.865 0.000 0.858) 2.053 4.473 ( -1.729 0.000 -1.889) 2.561 4.473 ( -1.729 0.000 1.889) 2.561 4.745 ( -1.174 0.000 -5.557) 5.679 4.745 ( -1.174 0.000 5.557) 5.679 4.823 ( 12.881 0.000 -0.853) 12.909 4.823 ( 12.881 0.000 0.853) 12.909 4.992 ( 1.896 0.000 -1.534) 2.439 4.992 ( 1.896 0.000 1.534) 2.439 5.448 ( 6.635 0.000 -1.138) 6.732 5.448 ( 6.635 0.000 1.138) 6.732 5.652 ( 6.409 0.000 -4.016) 7.563 5.652 ( 6.409 0.000 4.016) 7.563 5.784 ( 2.628 0.000 -1.711) 3.135 5.784 ( 2.628 0.000 1.711) 3.135 5.931 ( 3.307 0.000 -2.588) 4.199 5.931 ( 3.307 -0.000 2.588) 4.199 5.991 ( 4.818 0.000 -2.706) 5.526 5.991 ( 4.818 0.000 2.706) 5.526 6.125 ( 11.110 0.000 -1.270) 11.182 6.125 ( 11.110 0.000 1.270) 11.182 6.283 ( 0.488 0.000 -0.208) 0.530 6.283 ( 0.488 0.000 0.208) 0.530 6.414 ( 0.553 0.000 -2.865) 2.918 6.414 ( 0.553 0.000 2.865) 2.918 6.490 ( 3.163 0.000 -0.363) 3.184 6.490 ( 3.163 0.000 0.363) 3.184 6.783 ( -0.698 0.000 -0.784) 1.050 6.783 ( -0.698 0.000 0.784) 1.050 6.847 ( 0.761 0.000 -0.505) 0.913 6.847 ( 0.761 0.000 0.505) 0.913 6.938 ( -0.984 0.000 -5.173) 5.266 6.938 ( -0.984 0.000 5.173) 5.266 7.077 ( -1.131 0.000 -2.931) 3.142 7.077 ( -1.131 0.000 2.931) 3.142 7.336 ( 1.010 0.000 -3.000) 3.165 7.336 ( 1.010 0.000 3.000) 3.165 7.445 ( -3.514 0.000 -0.130) 3.516 7.445 ( -3.514 0.000 0.130) 3.516 7.522 ( 0.923 0.000 -1.754) 1.982 7.522 ( 0.923 0.000 1.754) 1.982 7.759 ( 1.088 0.000 -1.158) 1.589 7.759 ( 1.088 0.000 1.158) 1.589 7.850 ( -1.724 0.000 -0.103) 1.727 7.850 ( -1.724 -0.000 0.103) 1.727 8.011 ( -3.681 0.000 -3.285) 4.933 8.011 ( -3.681 0.000 3.285) 4.933 8.224 ( -5.571 0.000 -1.253) 5.710 8.224 ( -5.571 0.000 1.253) 5.710 8.307 ( -4.302 0.000 -2.796) 5.131 8.307 ( -4.302 0.000 2.796) 5.131 8.592 ( -4.868 0.000 -1.335) 5.048 8.592 ( -4.868 0.000 1.335) 5.048 8.652 ( -3.294 0.000 -2.301) 4.018 8.652 ( -3.294 0.000 2.301) 4.018 8.748 ( -2.960 0.000 -1.246) 3.211 8.748 ( -2.960 0.000 1.246) 3.211 8.879 ( -1.575 0.000 -1.485) 2.165 8.879 ( -1.575 0.000 1.485) 2.165 8.996 ( -2.499 0.000 -2.135) 3.287 8.996 ( -2.499 0.000 2.135) 3.287 9.212 ( -4.813 0.000 -0.308) 4.823 9.212 ( -4.813 0.000 0.308) 4.823 9.468 ( -4.917 0.000 -0.033) 4.917 9.468 ( -4.917 0.000 0.033) 4.917 9.850 ( -6.996 0.000 -1.004) 7.068 9.850 ( -6.996 0.000 1.004) 7.068 9.950 ( 7.454 0.000 -0.725) 7.490 9.950 ( 7.454 0.000 0.725) 7.490 ======================= Grid point 116 (39/42) ======================= q-point: ( 0.23 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 6.286 0.000 -0.497) 6.306 0.974 ( 6.286 0.000 0.497) 6.306 1.133 ( 5.023 0.000 -0.672) 5.068 1.133 ( 5.023 0.000 0.672) 5.068 1.151 ( 3.328 0.000 -2.582) 4.212 1.151 ( 3.328 0.000 2.582) 4.212 1.294 ( 2.463 0.000 -0.976) 2.649 1.294 ( 2.463 0.000 0.976) 2.649 1.420 ( 6.141 0.000 -0.042) 6.141 1.420 ( 6.141 0.000 0.042) 6.141 1.542 ( 4.707 0.000 -0.949) 4.801 1.542 ( 4.707 0.000 0.949) 4.801 1.646 ( 2.307 0.000 -2.968) 3.759 1.646 ( 2.307 0.000 2.968) 3.759 1.758 ( 6.356 0.000 -1.106) 6.451 1.758 ( 6.356 0.000 1.106) 6.451 1.829 ( 6.062 0.000 -0.112) 6.063 1.829 ( 6.062 0.000 0.112) 6.063 1.966 ( 7.735 0.000 -1.963) 7.981 1.966 ( 7.735 0.000 1.963) 7.981 2.006 ( 5.222 0.000 -2.443) 5.765 2.006 ( 5.222 0.000 2.443) 5.765 2.110 ( 8.263 0.000 -0.647) 8.288 2.110 ( 8.263 0.000 0.647) 8.288 2.378 ( 1.828 0.000 -0.426) 1.877 2.378 ( 1.828 0.000 0.426) 1.877 2.470 ( 7.609 0.000 -2.448) 7.993 2.470 ( 7.609 0.000 2.448) 7.993 2.563 ( 5.894 0.000 -1.266) 6.029 2.563 ( 5.894 0.000 1.266) 6.029 2.724 ( -2.065 0.000 -1.157) 2.367 2.724 ( -2.065 0.000 1.157) 2.367 2.817 ( 1.262 0.000 -0.040) 1.263 2.817 ( 1.262 0.000 0.040) 1.263 2.873 ( 6.674 0.000 -1.074) 6.760 2.873 ( 6.674 0.000 1.074) 6.760 3.050 ( 16.781 0.000 -1.162) 16.821 3.050 ( 16.781 0.000 1.162) 16.821 3.215 ( 19.205 0.000 -1.302) 19.249 3.215 ( 19.205 0.000 1.302) 19.249 3.279 ( 15.080 0.000 -0.028) 15.081 3.279 ( 15.080 0.000 0.028) 15.081 3.392 ( 9.791 0.000 -2.002) 9.993 3.392 ( 9.791 0.000 2.002) 9.993 3.549 ( 11.999 0.000 -5.027) 13.010 3.549 ( 11.999 0.000 5.027) 13.010 3.610 ( -3.580 0.000 -0.209) 3.586 3.610 ( -3.580 0.000 0.209) 3.586 4.130 ( 9.939 0.000 -1.151) 10.005 4.130 ( 9.939 0.000 1.151) 10.005 4.346 ( 2.468 0.000 -0.907) 2.629 4.346 ( 2.468 0.000 0.907) 2.629 4.443 ( -0.716 0.000 -1.082) 1.297 4.443 ( -0.716 0.000 1.082) 1.297 4.691 ( -4.221 0.000 -3.966) 5.792 4.691 ( -4.221 0.000 3.966) 5.792 4.928 ( 3.417 0.000 -4.188) 5.405 4.928 ( 3.417 0.000 4.188) 5.405 5.184 ( 10.658 0.000 -0.698) 10.681 5.184 ( 10.658 0.000 0.698) 10.681 5.555 ( 2.079 0.000 -1.131) 2.367 5.555 ( 2.079 0.000 1.131) 2.367 5.748 ( 5.668 0.000 -5.578) 7.952 5.748 ( 5.668 0.000 5.578) 7.952 5.859 ( 3.415 0.000 -1.470) 3.718 5.859 ( 3.415 0.000 1.470) 3.718 6.030 ( 6.300 0.000 -2.947) 6.955 6.030 ( 6.300 0.000 2.947) 6.955 6.083 ( 4.600 0.000 -3.700) 5.903 6.083 ( 4.600 0.000 3.700) 5.903 6.238 ( -0.808 0.000 -0.655) 1.040 6.238 ( -0.808 0.000 0.655) 1.040 6.340 ( 4.832 0.000 -2.939) 5.656 6.340 ( 4.832 0.000 2.939) 5.656 6.405 ( -0.437 0.000 -1.223) 1.299 6.405 ( -0.437 0.000 1.223) 1.299 6.544 ( 2.266 0.000 -1.975) 3.006 6.544 ( 2.266 0.000 1.975) 3.006 6.792 ( 0.375 0.000 -1.563) 1.607 6.792 ( 0.375 0.000 1.563) 1.607 6.812 ( -3.199 0.000 -0.161) 3.203 6.812 ( -3.199 0.000 0.161) 3.203 6.940 ( -0.260 0.000 -7.572) 7.576 6.940 ( -0.260 0.000 7.572) 7.576 7.085 ( 2.253 0.000 -4.371) 4.918 7.085 ( 2.253 0.000 4.371) 4.918 7.292 ( -5.240 0.000 -3.732) 6.433 7.292 ( -5.240 0.000 3.732) 6.433 7.387 ( -0.668 0.000 -0.464) 0.813 7.387 ( -0.668 0.000 0.464) 0.813 7.512 ( -0.993 0.000 -1.736) 2.000 7.512 ( -0.993 0.000 1.736) 2.000 7.753 ( -1.674 0.000 -3.705) 4.065 7.753 ( -1.674 0.000 3.705) 4.065 7.849 ( 0.393 0.000 -1.790) 1.833 7.849 ( 0.393 0.000 1.790) 1.833 7.974 ( -0.982 0.000 -3.097) 3.249 7.974 ( -0.982 0.000 3.097) 3.249 8.012 ( -8.986 -0.000 -0.431) 8.996 8.012 ( -8.986 0.000 0.431) 8.996 8.326 ( 1.730 0.000 -2.533) 3.067 8.326 ( 1.730 0.000 2.533) 3.067 8.504 ( -3.700 0.000 -1.463) 3.979 8.504 ( -3.700 0.000 1.463) 3.979 8.591 ( -2.644 0.000 -1.929) 3.273 8.591 ( -2.644 0.000 1.929) 3.273 8.711 ( -0.766 0.000 -0.599) 0.972 8.711 ( -0.766 0.000 0.599) 0.972 8.854 ( -1.069 0.000 -0.741) 1.301 8.854 ( -1.069 0.000 0.741) 1.301 8.961 ( -0.943 0.000 -1.768) 2.004 8.961 ( -0.943 0.000 1.768) 2.004 9.121 ( -4.176 0.000 -0.954) 4.283 9.121 ( -4.176 0.000 0.954) 4.283 9.373 ( -4.570 0.000 -1.162) 4.715 9.373 ( -4.570 0.000 1.162) 4.715 9.671 ( -9.713 0.000 -0.709) 9.739 9.671 ( -9.713 0.000 0.709) 9.739 10.101 ( 6.660 0.000 -0.131) 6.661 10.101 ( 6.660 0.000 0.131) 6.661 ======================= Grid point 120 (40/42) ======================= q-point: ( 0.31 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.264 0.000 -1.012) 1.046 1.054 ( 0.264 0.000 1.012) 1.046 1.167 ( -0.209 0.000 -1.682) 1.695 1.167 ( -0.209 0.000 1.682) 1.695 1.215 ( 2.551 0.000 -0.142) 2.555 1.215 ( 2.551 0.000 0.142) 2.555 1.324 ( 0.547 0.000 -1.189) 1.309 1.324 ( 0.547 0.000 1.189) 1.309 1.519 ( 3.779 0.000 -0.524) 3.815 1.519 ( 3.779 0.000 0.524) 3.815 1.594 ( 0.518 0.000 -0.660) 0.839 1.594 ( 0.518 0.000 0.660) 0.839 1.732 ( 6.559 0.000 -2.377) 6.976 1.732 ( 6.559 0.000 2.377) 6.976 1.875 ( 5.235 0.000 -2.107) 5.643 1.875 ( 5.235 0.000 2.107) 5.643 1.957 ( 7.349 0.000 -0.498) 7.366 1.957 ( 7.349 0.000 0.498) 7.366 2.092 ( 5.349 0.000 -0.819) 5.412 2.092 ( 5.349 0.000 0.819) 5.412 2.138 ( 6.643 0.000 -1.074) 6.729 2.138 ( 6.643 0.000 1.074) 6.729 2.259 ( 6.104 0.000 -1.199) 6.221 2.259 ( 6.104 0.000 1.199) 6.221 2.386 ( 0.192 0.000 -1.172) 1.188 2.386 ( 0.192 0.000 1.172) 1.188 2.576 ( 1.444 0.000 -1.405) 2.015 2.576 ( 1.444 0.000 1.405) 2.015 2.627 ( -1.371 0.000 -0.962) 1.675 2.627 ( -1.371 0.000 0.962) 1.675 2.711 ( 2.561 0.000 -1.025) 2.759 2.711 ( 2.561 0.000 1.025) 2.759 2.805 ( 1.394 0.000 -0.727) 1.572 2.805 ( 1.394 0.000 0.727) 1.572 2.936 ( -1.328 0.000 -2.813) 3.110 2.936 ( -1.328 0.000 2.813) 3.110 3.257 ( 3.192 0.000 -2.462) 4.032 3.257 ( 3.192 0.000 2.462) 4.032 3.451 ( 7.132 0.000 -0.812) 7.178 3.451 ( 7.132 0.000 0.812) 7.178 3.551 ( 10.750 0.000 -0.121) 10.750 3.551 ( 10.750 0.000 0.121) 10.750 3.654 ( 12.915 0.000 -0.007) 12.915 3.654 ( 12.915 0.000 0.007) 12.915 3.758 ( 19.903 0.000 -1.262) 19.943 3.758 ( 19.903 0.000 1.262) 19.943 3.874 ( 16.462 0.000 -4.466) 17.057 3.874 ( 16.462 0.000 4.466) 17.057 4.216 ( 0.630 0.000 -2.688) 2.761 4.216 ( 0.630 0.000 2.688) 2.761 4.428 ( 3.048 0.000 -1.336) 3.328 4.428 ( 3.048 0.000 1.336) 3.328 4.494 ( 6.650 -0.000 -1.169) 6.752 4.494 ( 6.650 0.000 1.169) 6.752 4.612 ( -2.000 0.000 -2.896) 3.520 4.612 ( -2.000 0.000 2.896) 3.520 5.003 ( 3.114 0.000 -5.314) 6.159 5.003 ( 3.114 0.000 5.314) 6.159 5.301 ( 0.672 0.000 -0.800) 1.045 5.301 ( 0.672 0.000 0.800) 1.045 5.544 ( -1.480 0.000 -0.007) 1.480 5.544 ( -1.480 0.000 0.007) 1.480 5.868 ( 5.130 0.000 -5.934) 7.844 5.868 ( 5.130 0.000 5.934) 7.844 5.938 ( 5.064 0.000 -0.381) 5.078 5.938 ( 5.064 0.000 0.381) 5.078 6.107 ( -1.020 0.000 -3.498) 3.644 6.107 ( -1.020 0.000 3.498) 3.644 6.163 ( 4.700 0.000 -2.154) 5.170 6.163 ( 4.700 0.000 2.154) 5.170 6.263 ( 3.826 0.000 -1.389) 4.070 6.263 ( 3.826 0.000 1.389) 4.070 6.322 ( -2.098 0.000 -4.571) 5.030 6.322 ( -2.098 0.000 4.571) 5.030 6.443 ( 1.133 0.000 -0.295) 1.171 6.443 ( 1.133 0.000 0.295) 1.171 6.586 ( 1.592 0.000 -3.283) 3.649 6.586 ( 1.592 0.000 3.283) 3.649 6.726 ( -2.080 0.000 -2.693) 3.403 6.726 ( -2.080 0.000 2.693) 3.403 6.818 ( -1.962 0.000 -1.406) 2.413 6.818 ( -1.962 0.000 1.406) 2.413 6.881 ( -3.403 0.000 -2.903) 4.473 6.881 ( -3.403 0.000 2.903) 4.473 7.147 ( 1.890 0.000 -2.836) 3.408 7.147 ( 1.890 0.000 2.836) 3.408 7.202 ( -1.846 0.000 -5.589) 5.886 7.202 ( -1.846 0.000 5.589) 5.886 7.415 ( 2.100 0.000 -1.259) 2.449 7.415 ( 2.100 0.000 1.259) 2.449 7.501 ( 0.743 0.000 -1.356) 1.546 7.501 ( 0.743 0.000 1.356) 1.546 7.685 ( -6.887 0.000 -4.645) 8.307 7.685 ( -6.887 0.000 4.645) 8.307 7.797 ( -1.397 0.000 -2.347) 2.732 7.797 ( -1.397 0.000 2.347) 2.732 7.925 ( 1.040 0.000 -1.023) 1.459 7.925 ( 1.040 0.000 1.023) 1.459 8.023 ( 2.343 0.000 -1.491) 2.777 8.023 ( 2.343 0.000 1.491) 2.777 8.343 ( 0.086 0.000 -1.575) 1.578 8.343 ( 0.086 0.000 1.575) 1.578 8.448 ( -2.052 0.000 -1.368) 2.466 8.448 ( -2.052 0.000 1.368) 2.466 8.556 ( -0.676 0.000 -0.848) 1.084 8.556 ( -0.676 0.000 0.848) 1.084 8.716 ( 1.080 0.000 -0.003) 1.080 8.716 ( 1.080 0.000 0.003) 1.080 8.839 ( -0.273 0.000 -0.421) 0.501 8.839 ( -0.273 0.000 0.421) 0.501 8.953 ( -0.091 0.000 -0.433) 0.443 8.953 ( -0.091 0.000 0.433) 0.443 9.052 ( -2.662 0.000 -1.613) 3.113 9.052 ( -2.662 0.000 1.613) 3.113 9.287 ( -4.137 0.000 -1.737) 4.487 9.287 ( -4.137 0.000 1.737) 4.487 9.477 ( -9.618 0.000 -0.501) 9.631 9.477 ( -9.618 0.000 0.501) 9.631 10.208 ( 4.066 0.000 -0.438) 4.089 10.208 ( 4.066 0.000 0.438) 4.089 ======================= Grid point 124 (41/42) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -5.560 0.000 -0.982) 5.646 0.984 ( -5.560 0.000 0.982) 5.646 1.151 ( -1.968 0.000 -0.755) 2.108 1.151 ( -1.968 0.000 0.755) 2.108 1.251 ( 1.473 0.000 -1.364) 2.007 1.251 ( 1.473 0.000 1.364) 2.007 1.321 ( -0.398 0.000 -1.303) 1.363 1.321 ( -0.398 0.000 1.303) 1.363 1.570 ( 1.640 0.000 -0.707) 1.786 1.570 ( 1.640 0.000 0.707) 1.786 1.617 ( 1.972 0.000 -0.226) 1.985 1.617 ( 1.972 0.000 0.226) 1.985 1.850 ( 4.452 0.000 -0.967) 4.556 1.850 ( 4.452 0.000 0.967) 4.556 1.975 ( 5.329 0.000 -2.440) 5.861 1.975 ( 5.329 0.000 2.440) 5.861 2.109 ( 6.816 0.000 -1.099) 6.904 2.109 ( 6.816 0.000 1.099) 6.904 2.180 ( 3.378 0.000 -1.118) 3.558 2.180 ( 3.378 0.000 1.118) 3.558 2.227 ( 1.925 0.000 -1.305) 2.326 2.227 ( 1.925 0.000 1.305) 2.326 2.310 ( -1.982 0.000 -2.401) 3.113 2.310 ( -1.982 0.000 2.401) 3.113 2.415 ( 3.173 0.000 -0.483) 3.210 2.415 ( 3.173 0.000 0.483) 3.210 2.533 ( -1.536 0.000 -2.280) 2.750 2.533 ( -1.536 0.000 2.280) 2.750 2.627 ( -0.058 0.000 -0.670) 0.672 2.627 ( -0.058 0.000 0.670) 0.672 2.714 ( -2.027 0.000 -0.950) 2.238 2.714 ( -2.027 0.000 0.950) 2.238 2.820 ( -3.354 0.000 -2.376) 4.110 2.820 ( -3.354 0.000 2.376) 4.110 2.939 ( 4.201 0.000 -3.584) 5.522 2.939 ( 4.201 0.000 3.584) 5.522 3.252 ( -0.284 0.000 -0.610) 0.673 3.252 ( -0.284 0.000 0.610) 0.673 3.636 ( 8.370 0.000 -0.159) 8.371 3.636 ( 8.370 0.000 0.159) 8.371 3.722 ( 6.525 0.000 -0.407) 6.538 3.722 ( 6.525 0.000 0.407) 6.538 3.864 ( 8.226 0.000 -0.685) 8.254 3.864 ( 8.226 0.000 0.685) 8.254 4.048 ( 5.232 0.000 -1.830) 5.543 4.048 ( 5.232 0.000 1.830) 5.543 4.123 ( 8.670 0.000 -1.988) 8.895 4.123 ( 8.670 0.000 1.988) 8.895 4.294 ( 8.559 0.000 -2.153) 8.825 4.294 ( 8.559 0.000 2.153) 8.825 4.490 ( 1.828 0.000 -1.080) 2.124 4.490 ( 1.828 0.000 1.080) 2.124 4.539 ( 2.938 0.000 -1.823) 3.457 4.539 ( 2.938 0.000 1.823) 3.457 4.718 ( 8.574 0.000 -0.011) 8.574 4.718 ( 8.574 0.000 0.011) 8.574 5.009 ( -3.026 0.000 -4.510) 5.431 5.009 ( -3.026 0.000 4.510) 5.431 5.265 ( -1.822 0.000 -2.001) 2.706 5.265 ( -1.822 0.000 2.001) 2.706 5.517 ( -1.830 0.000 -2.556) 3.144 5.517 ( -1.830 0.000 2.556) 3.144 5.939 ( 1.709 0.000 -0.397) 1.754 5.939 ( 1.709 0.000 0.397) 1.754 6.031 ( 4.814 0.000 -5.975) 7.673 6.031 ( 4.814 -0.000 5.975) 7.673 6.099 ( -0.179 0.000 -0.318) 0.365 6.099 ( -0.179 0.000 0.318) 0.365 6.183 ( -0.514 0.000 -3.244) 3.284 6.183 ( -0.514 0.000 3.244) 3.284 6.300 ( 0.041 0.000 -2.039) 2.040 6.300 ( 0.041 0.000 2.039) 2.040 6.385 ( 6.307 0.000 -3.715) 7.320 6.385 ( 6.307 0.000 3.715) 7.320 6.456 ( 0.847 0.000 -0.181) 0.866 6.456 ( 0.847 0.000 0.181) 0.866 6.588 ( -1.053 0.000 -0.568) 1.196 6.588 ( -1.053 0.000 0.568) 1.196 6.697 ( -6.495 0.000 -2.626) 7.006 6.697 ( -6.495 0.000 2.626) 7.006 6.738 ( 1.632 0.000 -3.415) 3.785 6.738 ( 1.632 0.000 3.415) 3.785 6.850 ( -1.909 0.000 -0.013) 1.909 6.850 ( -1.909 0.000 0.013) 1.909 7.130 ( -0.893 0.000 -9.095) 9.139 7.130 ( -0.893 0.000 9.095) 9.139 7.243 ( 2.924 0.000 -0.559) 2.977 7.243 ( 2.924 0.000 0.559) 2.977 7.404 ( -1.689 0.000 -4.940) 5.221 7.404 ( -1.689 0.000 4.940) 5.221 7.533 ( -5.324 0.000 -3.688) 6.476 7.533 ( -5.324 0.000 3.688) 6.476 7.586 ( 4.339 0.000 -0.967) 4.446 7.586 ( 4.339 0.000 0.967) 4.446 7.825 ( 2.680 0.000 -2.619) 3.747 7.825 ( 2.680 0.000 2.619) 3.747 7.946 ( 0.573 0.000 -1.759) 1.850 7.946 ( 0.573 0.000 1.760) 1.850 8.056 ( 0.867 0.000 -0.049) 0.868 8.056 ( 0.867 0.000 0.049) 0.868 8.339 ( -0.345 0.000 -1.926) 1.957 8.339 ( -0.345 0.000 1.926) 1.957 8.420 ( -0.762 0.000 -0.875) 1.161 8.420 ( -0.762 0.000 0.875) 1.161 8.565 ( 1.355 0.000 -0.419) 1.418 8.565 ( 1.355 0.000 0.419) 1.418 8.747 ( 2.027 0.000 -0.821) 2.187 8.747 ( 2.027 0.000 0.821) 2.187 8.847 ( 1.057 0.000 -0.600) 1.215 8.847 ( 1.057 0.000 0.600) 1.215 8.952 ( -0.133 0.000 -0.331) 0.357 8.952 ( -0.133 0.000 0.331) 0.357 9.017 ( -0.734 0.000 -1.471) 1.644 9.017 ( -0.734 0.000 1.471) 1.644 9.206 ( -4.065 0.000 -1.775) 4.436 9.206 ( -4.065 0.000 1.775) 4.436 9.296 ( -8.475 0.000 -0.235) 8.478 9.296 ( -8.475 0.000 0.235) 8.478 10.266 ( 1.909 0.000 -0.866) 2.096 10.266 ( 1.909 0.000 0.866) 2.096 ======================= Grid point 128 (42/42) ======================= q-point: ( 0.46 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -2.988 0.000 -1.003) 3.152 0.889 ( -2.988 0.000 1.003) 3.152 1.108 ( -1.561 0.000 -0.845) 1.775 1.108 ( -1.561 0.000 0.845) 1.775 1.268 ( 0.225 0.000 -1.906) 1.919 1.268 ( 0.225 0.000 1.906) 1.919 1.321 ( 0.289 0.000 -1.035) 1.074 1.321 ( 0.289 0.000 1.035) 1.074 1.596 ( 0.865 0.000 -0.939) 1.276 1.596 ( 0.865 0.000 0.939) 1.276 1.652 ( 1.084 0.000 -0.007) 1.084 1.652 ( 1.084 0.000 0.007) 1.084 1.902 ( 1.077 0.000 -0.296) 1.117 1.902 ( 1.077 0.000 0.296) 1.117 2.085 ( 5.235 0.000 -2.375) 5.749 2.085 ( 5.235 0.000 2.375) 5.749 2.167 ( -1.461 0.000 -2.836) 3.190 2.167 ( -1.461 0.000 2.836) 3.190 2.196 ( -2.182 0.000 -1.061) 2.427 2.196 ( -2.182 0.000 1.061) 2.427 2.215 ( -0.793 0.000 -0.418) 0.896 2.215 ( -0.793 0.000 0.418) 0.896 2.325 ( 4.844 0.000 -1.757) 5.153 2.325 ( 4.844 0.000 1.757) 5.153 2.431 ( -2.599 0.000 -2.970) 3.946 2.431 ( -2.599 0.000 2.970) 3.946 2.559 ( 2.726 0.000 -0.599) 2.791 2.559 ( 2.726 0.000 0.599) 2.791 2.623 ( 0.137 0.000 -0.667) 0.681 2.623 ( 0.137 0.000 0.667) 0.681 2.663 ( -1.911 0.000 -0.267) 1.930 2.663 ( -1.911 0.000 0.267) 1.930 2.753 ( -2.501 0.000 -5.588) 6.122 2.753 ( -2.501 0.000 5.588) 6.122 3.011 ( 2.073 0.000 -1.829) 2.765 3.011 ( 2.073 0.000 1.829) 2.765 3.263 ( 0.706 0.000 -0.616) 0.937 3.263 ( 0.706 0.000 0.616) 0.937 3.733 ( 1.802 0.000 -0.247) 1.819 3.733 ( 1.802 0.000 0.247) 1.819 3.821 ( 3.020 0.000 -0.315) 3.037 3.821 ( 3.020 0.000 0.315) 3.037 3.975 ( 2.947 0.000 -0.028) 2.947 3.975 ( 2.947 0.000 0.028) 2.947 4.079 ( 0.119 0.000 -4.048) 4.049 4.079 ( 0.119 0.000 4.048) 4.049 4.217 ( 1.601 0.000 -0.307) 1.630 4.217 ( 1.601 0.000 0.307) 1.630 4.415 ( 2.133 0.000 -0.309) 2.155 4.415 ( 2.133 0.000 0.309) 2.155 4.530 ( 2.545 0.000 -1.454) 2.931 4.530 ( 2.545 0.000 1.454) 2.931 4.636 ( 4.014 0.000 -0.546) 4.051 4.636 ( 4.014 0.000 0.546) 4.051 4.857 ( 4.550 0.000 -0.339) 4.563 4.857 ( 4.550 0.000 0.339) 4.563 4.923 ( -3.875 0.000 -1.232) 4.066 4.923 ( -3.875 0.000 1.232) 4.066 5.254 ( 0.089 0.000 -0.601) 0.607 5.254 ( 0.089 0.000 0.601) 0.607 5.470 ( -2.061 0.000 -5.373) 5.755 5.470 ( -2.061 0.000 5.373) 5.755 5.970 ( 1.905 0.000 -0.088) 1.907 5.970 ( 1.905 0.000 0.088) 1.907 6.054 ( -2.562 0.000 -1.369) 2.905 6.054 ( -2.562 0.000 1.369) 2.905 6.135 ( 3.298 0.000 -4.890) 5.898 6.135 ( 3.298 0.000 4.890) 5.898 6.199 ( 1.810 0.000 -3.411) 3.861 6.199 ( 1.810 0.000 3.411) 3.861 6.283 ( -1.754 0.000 -3.086) 3.550 6.283 ( -1.754 0.000 3.086) 3.550 6.484 ( 2.505 0.000 -0.257) 2.518 6.484 ( 2.505 0.000 0.257) 2.518 6.494 ( 3.389 -0.000 -3.274) 4.712 6.494 ( 3.389 0.000 3.274) 4.712 6.557 ( -2.034 0.000 -3.392) 3.955 6.557 ( -2.034 -0.000 3.392) 3.955 6.580 ( -4.217 0.000 -0.417) 4.238 6.580 ( -4.217 -0.000 0.417) 4.238 6.780 ( 1.609 0.000 -4.151) 4.452 6.780 ( 1.609 -0.000 4.151) 4.452 6.807 ( -1.729 0.000 -1.478) 2.275 6.807 ( -1.729 0.000 1.478) 2.275 7.120 ( -0.284 0.000 -10.600) 10.604 7.120 ( -0.284 0.000 10.600) 10.604 7.283 ( 0.863 0.000 -0.344) 0.929 7.283 ( 0.863 0.000 0.344) 0.929 7.394 ( 1.103 0.000 -5.268) 5.382 7.394 ( 1.103 0.000 5.268) 5.382 7.442 ( -3.430 0.000 -3.810) 5.127 7.442 ( -3.430 0.000 3.810) 5.127 7.662 ( 2.167 0.000 -0.681) 2.272 7.662 ( 2.167 0.000 0.681) 2.272 7.875 ( 1.963 0.000 -2.087) 2.865 7.875 ( 1.963 0.000 2.087) 2.865 7.942 ( -0.734 0.000 -2.991) 3.080 7.942 ( -0.734 0.000 2.991) 3.080 8.063 ( 0.067 0.000 -0.168) 0.181 8.063 ( 0.067 0.000 0.168) 0.181 8.332 ( -0.266 0.000 -2.905) 2.917 8.332 ( -0.266 0.000 2.905) 2.917 8.414 ( -0.002 0.000 -0.352) 0.352 8.414 ( -0.002 0.000 0.352) 0.352 8.593 ( 0.983 0.000 -1.689) 1.955 8.593 ( 0.983 0.000 1.689) 1.955 8.788 ( 1.567 0.000 -1.684) 2.300 8.788 ( 1.567 0.000 1.684) 2.300 8.875 ( 1.345 0.000 -0.523) 1.443 8.875 ( 1.345 0.000 0.523) 1.443 8.940 ( -0.773 0.000 -1.057) 1.310 8.940 ( -0.773 0.000 1.057) 1.310 9.033 ( 1.909 0.000 -0.405) 1.952 9.033 ( 1.909 0.000 0.405) 1.952 9.129 ( -3.369 0.000 -1.455) 3.670 9.129 ( -3.369 0.000 1.455) 3.670 9.159 ( -4.390 0.000 -0.212) 4.395 9.159 ( -4.390 0.000 0.212) 4.395 10.289 ( 0.509 0.000 -1.109) 1.221 10.289 ( 0.509 0.000 1.109) 1.221 =================== 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 3/12480 10.0 99.132 0.001 63.698 0.000 0.000 0.000 3/12480 20.0 26.526 0.006 12.376 0.000 0.000 0.000 3/12480 30.0 14.855 0.005 5.891 0.000 0.000 0.000 3/12480 40.0 10.425 0.004 3.731 0.000 0.000 0.000 3/12480 50.0 8.002 0.003 2.682 0.000 0.000 0.000 3/12480 60.0 6.454 0.002 2.072 0.000 0.000 0.000 3/12480 70.0 5.385 0.002 1.678 0.000 0.000 0.000 3/12480 80.0 4.611 0.001 1.407 0.000 0.000 0.000 3/12480 90.0 4.028 0.001 1.210 0.000 0.000 0.000 3/12480 100.0 3.576 0.001 1.062 0.000 0.000 0.000 3/12480 110.0 3.217 0.001 0.946 0.000 0.000 0.000 3/12480 120.0 2.924 0.001 0.853 0.000 0.000 0.000 3/12480 130.0 2.682 0.001 0.778 0.000 0.000 0.000 3/12480 140.0 2.477 0.001 0.714 0.000 0.000 0.000 3/12480 150.0 2.303 0.001 0.661 0.000 0.000 0.000 3/12480 160.0 2.152 0.001 0.615 0.000 0.000 0.000 3/12480 170.0 2.020 0.001 0.576 0.000 0.000 0.000 3/12480 180.0 1.904 0.001 0.541 0.000 0.000 0.000 3/12480 190.0 1.801 0.001 0.510 0.000 0.000 0.000 3/12480 200.0 1.708 0.000 0.483 0.000 0.000 0.000 3/12480 210.0 1.625 0.000 0.459 0.000 0.000 0.000 3/12480 220.0 1.550 0.000 0.437 0.000 0.000 0.000 3/12480 230.0 1.481 0.000 0.417 0.000 0.000 0.000 3/12480 240.0 1.419 0.000 0.398 0.000 0.000 0.000 3/12480 250.0 1.361 0.000 0.382 0.000 0.000 0.000 3/12480 260.0 1.308 0.000 0.367 0.000 0.000 0.000 3/12480 270.0 1.260 0.000 0.352 0.000 0.000 0.000 3/12480 280.0 1.214 0.000 0.339 0.000 0.000 0.000 3/12480 290.0 1.172 0.000 0.327 0.000 0.000 0.000 3/12480 300.0 1.133 0.000 0.316 0.000 0.000 0.000 3/12480 310.0 1.096 0.000 0.306 0.000 0.000 0.000 3/12480 320.0 1.062 0.000 0.296 0.000 0.000 0.000 3/12480 330.0 1.029 0.000 0.287 0.000 0.000 0.000 3/12480 340.0 0.999 0.000 0.278 0.000 0.000 0.000 3/12480 350.0 0.970 0.000 0.270 0.000 0.000 0.000 3/12480 360.0 0.943 0.000 0.262 0.000 0.000 0.000 3/12480 370.0 0.918 0.000 0.255 0.000 0.000 0.000 3/12480 380.0 0.894 0.000 0.248 0.000 0.000 0.000 3/12480 390.0 0.871 0.000 0.242 0.000 0.000 0.000 3/12480 400.0 0.849 0.000 0.236 0.000 0.000 0.000 3/12480 410.0 0.828 0.000 0.230 0.000 0.000 0.000 3/12480 420.0 0.809 0.000 0.224 0.000 0.000 0.000 3/12480 430.0 0.790 0.000 0.219 0.000 0.000 0.000 3/12480 440.0 0.772 0.000 0.214 0.000 0.000 0.000 3/12480 450.0 0.755 0.000 0.209 0.000 0.000 0.000 3/12480 460.0 0.738 0.000 0.205 0.000 0.000 0.000 3/12480 470.0 0.723 0.000 0.200 0.000 0.000 0.000 3/12480 480.0 0.708 0.000 0.196 0.000 0.000 0.000 3/12480 490.0 0.693 0.000 0.192 0.000 0.000 0.000 3/12480 500.0 0.679 0.000 0.188 0.000 0.000 0.000 3/12480 510.0 0.666 0.000 0.184 0.000 0.000 0.000 3/12480 520.0 0.653 0.000 0.181 0.000 0.000 0.000 3/12480 530.0 0.641 0.000 0.177 0.000 0.000 0.000 3/12480 540.0 0.629 0.000 0.174 0.000 0.000 0.000 3/12480 550.0 0.618 0.000 0.171 0.000 0.000 0.000 3/12480 560.0 0.607 0.000 0.168 0.000 0.000 0.000 3/12480 570.0 0.596 0.000 0.165 0.000 0.000 0.000 3/12480 580.0 0.586 0.000 0.162 0.000 0.000 0.000 3/12480 590.0 0.576 0.000 0.159 0.000 0.000 0.000 3/12480 600.0 0.566 0.000 0.156 0.000 0.000 0.000 3/12480 610.0 0.557 0.000 0.154 0.000 0.000 0.000 3/12480 620.0 0.548 0.000 0.151 0.000 0.000 0.000 3/12480 630.0 0.539 0.000 0.149 0.000 0.000 0.000 3/12480 640.0 0.531 0.000 0.147 0.000 0.000 0.000 3/12480 650.0 0.523 0.000 0.144 0.000 0.000 0.000 3/12480 660.0 0.515 0.000 0.142 0.000 0.000 0.000 3/12480 670.0 0.507 0.000 0.140 0.000 0.000 0.000 3/12480 680.0 0.500 0.000 0.138 0.000 0.000 0.000 3/12480 690.0 0.492 0.000 0.136 0.000 0.000 0.000 3/12480 700.0 0.485 0.000 0.134 0.000 0.000 0.000 3/12480 710.0 0.479 0.000 0.132 0.000 0.000 0.000 3/12480 720.0 0.472 0.000 0.130 0.000 0.000 0.000 3/12480 730.0 0.466 0.000 0.128 0.000 0.000 0.000 3/12480 740.0 0.459 0.000 0.127 0.000 0.000 0.000 3/12480 750.0 0.453 0.000 0.125 0.000 0.000 0.000 3/12480 760.0 0.447 0.000 0.123 0.000 0.000 0.000 3/12480 770.0 0.441 0.000 0.122 0.000 0.000 0.000 3/12480 780.0 0.436 0.000 0.120 0.000 0.000 0.000 3/12480 790.0 0.430 0.000 0.119 0.000 0.000 0.000 3/12480 800.0 0.425 0.000 0.117 0.000 0.000 0.000 3/12480 810.0 0.420 0.000 0.116 0.000 0.000 0.000 3/12480 820.0 0.415 0.000 0.114 0.000 0.000 0.000 3/12480 830.0 0.410 0.000 0.113 0.000 0.000 0.000 3/12480 840.0 0.405 0.000 0.112 0.000 0.000 0.000 3/12480 850.0 0.400 0.000 0.110 0.000 0.000 0.000 3/12480 860.0 0.395 0.000 0.109 0.000 0.000 0.000 3/12480 870.0 0.391 0.000 0.108 0.000 0.000 0.000 3/12480 880.0 0.386 0.000 0.106 0.000 0.000 0.000 3/12480 890.0 0.382 0.000 0.105 0.000 0.000 0.000 3/12480 900.0 0.378 0.000 0.104 0.000 0.000 0.000 3/12480 910.0 0.374 0.000 0.103 0.000 0.000 0.000 3/12480 920.0 0.370 0.000 0.102 0.000 0.000 0.000 3/12480 930.0 0.366 0.000 0.101 0.000 0.000 0.000 3/12480 940.0 0.362 0.000 0.100 0.000 0.000 0.000 3/12480 950.0 0.358 0.000 0.099 0.000 0.000 0.000 3/12480 960.0 0.354 0.000 0.098 0.000 0.000 0.000 3/12480 970.0 0.351 0.000 0.097 0.000 0.000 0.000 3/12480 980.0 0.347 0.000 0.096 0.000 0.000 0.000 3/12480 990.0 0.343 0.000 0.095 0.000 0.000 0.000 3/12480 1000.0 0.340 0.000 0.094 0.000 0.000 0.000 3/12480 Thermal conductivity related properties were written into "kappa-m1324.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:08:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|