----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:30:19]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.870395482969188 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419250770000003 0.000000000000000 c -0.208165702427249 0.000000000000000 7.566263414610571 Atomic positions (fractional): *1 Ag 0.23677956056489 0.25771011553962 0.37376643586518 107.868 2 Ag 0.76322043943511 0.74228988446038 0.62623356413482 107.868 3 Ag 0.76322043943511 0.75771011553962 0.12623356413482 107.868 4 Ag 0.23677956056489 0.24228988446038 0.87376643586518 107.868 *5 Sb 0.73270737239044 0.08556410988673 0.13139425546800 121.760 6 Sb 0.26729262760956 0.58556410988673 0.36860574453200 121.760 7 Sb 0.26729262760956 0.91443589011327 0.86860574453200 121.760 8 Sb 0.73270737239044 0.41443589011327 0.63139425546800 121.760 *9 Pb 0.75264484159242 0.41978389892122 0.14813183616735 207.200 10 Pb 0.75264484159242 0.08021610107878 0.64813183616735 207.200 11 Pb 0.24735515840758 0.91978389892122 0.35186816383265 207.200 12 Pb 0.24735515840758 0.58021610107878 0.85186816383265 207.200 *13 S 0.25620240979151 0.43325828848186 0.14801104235208 32.065 *14 S 0.14445821770065 0.37588673768261 0.62818836143716 32.065 15 S 0.25620240979151 0.06674171151814 0.64801104235208 32.065 16 S 0.74379759020849 0.56674171151814 0.85198895764792 32.065 17 S 0.14445821770065 0.12411326231739 0.12818836143716 32.065 18 S 0.85554178229935 0.62411326231739 0.37181163856284 32.065 19 S 0.74379759020849 0.93325828848186 0.35198895764792 32.065 *20 S 0.33241153686910 0.72282722619589 0.13553505989438 32.065 21 S 0.33241153686910 0.77717277380411 0.63553505989438 32.065 22 S 0.66758846313090 0.22282722619589 0.36446494010562 32.065 23 S 0.85554178229935 0.87588673768261 0.87181163856284 32.065 24 S 0.66758846313090 0.27717277380411 0.86446494010562 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.870395482969188 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419250770000003 0.000000000000000 c -0.208165702427249 0.000000000000000 7.566263414610571 Atomic positions (fractional): *1 Ag 0.23677956056489 0.25771011553962 0.37376643586518 107.868 > 1 2 Ag 0.76322043943511 0.74228988446038 0.62623356413482 107.868 > 2 3 Ag 0.76322043943511 0.75771011553962 0.12623356413482 107.868 > 3 4 Ag 0.23677956056489 0.24228988446038 0.87376643586518 107.868 > 4 *5 Sb 0.73270737239044 0.08556410988673 0.13139425546800 121.760 > 5 6 Sb 0.26729262760956 0.58556410988673 0.36860574453200 121.760 > 6 7 Sb 0.26729262760956 0.91443589011327 0.86860574453200 121.760 > 7 8 Sb 0.73270737239044 0.41443589011327 0.63139425546800 121.760 > 8 *9 Pb 0.75264484159242 0.41978389892122 0.14813183616735 207.200 > 9 10 Pb 0.75264484159242 0.08021610107878 0.64813183616735 207.200 > 10 11 Pb 0.24735515840758 0.91978389892122 0.35186816383265 207.200 > 11 12 Pb 0.24735515840758 0.58021610107878 0.85186816383265 207.200 > 12 *13 S 0.25620240979151 0.43325828848186 0.14801104235208 32.065 > 13 *14 S 0.14445821770065 0.37588673768261 0.62818836143716 32.065 > 14 15 S 0.25620240979151 0.06674171151814 0.64801104235208 32.065 > 15 16 S 0.74379759020849 0.56674171151814 0.85198895764792 32.065 > 16 17 S 0.14445821770065 0.12411326231739 0.12818836143716 32.065 > 17 18 S 0.85554178229935 0.62411326231739 0.37181163856284 32.065 > 18 19 S 0.74379759020849 0.93325828848186 0.35198895764792 32.065 > 19 *20 S 0.33241153686910 0.72282722619589 0.13553505989438 32.065 > 20 21 S 0.33241153686910 0.77717277380411 0.63553505989438 32.065 > 21 22 S 0.66758846313090 0.22282722619589 0.36446494010562 32.065 > 22 23 S 0.85554178229935 0.87588673768261 0.87181163856284 32.065 > 23 24 S 0.66758846313090 0.27717277380411 0.86446494010562 32.065 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.611186448907564 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419250770000003 0.000000000000000 c -0.416331404854498 0.000000000000000 15.132526829221142 Atomic positions (fractional): *1 Ag 0.07892652018830 0.25771011553962 0.18688321793259 107.868 > 1 2 Ag 0.41225985352163 0.25771011553962 0.18688321793259 107.868 > 1 3 Ag 0.74559318685496 0.25771011553962 0.18688321793259 107.868 > 1 4 Ag 0.07892652018830 0.25771011553962 0.68688321793259 107.868 > 1 5 Ag 0.41225985352163 0.25771011553962 0.68688321793259 107.868 > 1 6 Ag 0.74559318685496 0.25771011553962 0.68688321793259 107.868 > 1 7 Ag 0.25440681314504 0.74228988446038 0.31311678206741 107.868 > 2 8 Ag 0.58774014647837 0.74228988446038 0.31311678206741 107.868 > 2 9 Ag 0.92107347981170 0.74228988446038 0.31311678206741 107.868 > 2 10 Ag 0.25440681314504 0.74228988446038 0.81311678206741 107.868 > 2 11 Ag 0.58774014647837 0.74228988446038 0.81311678206741 107.868 > 2 12 Ag 0.92107347981170 0.74228988446038 0.81311678206741 107.868 > 2 13 Ag 0.25440681314504 0.75771011553962 0.06311678206741 107.868 > 3 14 Ag 0.58774014647837 0.75771011553962 0.06311678206741 107.868 > 3 15 Ag 0.92107347981170 0.75771011553962 0.06311678206741 107.868 > 3 16 Ag 0.25440681314504 0.75771011553962 0.56311678206741 107.868 > 3 17 Ag 0.58774014647837 0.75771011553962 0.56311678206741 107.868 > 3 18 Ag 0.92107347981170 0.75771011553962 0.56311678206741 107.868 > 3 19 Ag 0.07892652018830 0.24228988446038 0.43688321793259 107.868 > 4 20 Ag 0.41225985352163 0.24228988446038 0.43688321793259 107.868 > 4 21 Ag 0.74559318685496 0.24228988446038 0.43688321793259 107.868 > 4 22 Ag 0.07892652018830 0.24228988446038 0.93688321793259 107.868 > 4 23 Ag 0.41225985352163 0.24228988446038 0.93688321793259 107.868 > 4 24 Ag 0.74559318685496 0.24228988446038 0.93688321793259 107.868 > 4 *25 Sb 0.24423579079681 0.08556410988673 0.06569712773400 121.760 > 5 26 Sb 0.57756912413015 0.08556410988673 0.06569712773400 121.760 > 5 27 Sb 0.91090245746348 0.08556410988673 0.06569712773400 121.760 > 5 28 Sb 0.24423579079681 0.08556410988673 0.56569712773400 121.760 > 5 29 Sb 0.57756912413015 0.08556410988673 0.56569712773400 121.760 > 5 30 Sb 0.91090245746348 0.08556410988673 0.56569712773400 121.760 > 5 31 Sb 0.08909754253652 0.58556410988673 0.18430287226600 121.760 > 6 32 Sb 0.42243087586985 0.58556410988673 0.18430287226600 121.760 > 6 33 Sb 0.75576420920319 0.58556410988673 0.18430287226600 121.760 > 6 34 Sb 0.08909754253652 0.58556410988673 0.68430287226600 121.760 > 6 35 Sb 0.42243087586985 0.58556410988673 0.68430287226600 121.760 > 6 36 Sb 0.75576420920319 0.58556410988673 0.68430287226600 121.760 > 6 37 Sb 0.08909754253652 0.91443589011327 0.43430287226600 121.760 > 7 38 Sb 0.42243087586985 0.91443589011327 0.43430287226600 121.760 > 7 39 Sb 0.75576420920319 0.91443589011327 0.43430287226600 121.760 > 7 40 Sb 0.08909754253652 0.91443589011327 0.93430287226600 121.760 > 7 41 Sb 0.42243087586985 0.91443589011327 0.93430287226600 121.760 > 7 42 Sb 0.75576420920319 0.91443589011327 0.93430287226600 121.760 > 7 43 Sb 0.24423579079681 0.41443589011327 0.31569712773400 121.760 > 8 44 Sb 0.57756912413015 0.41443589011327 0.31569712773400 121.760 > 8 45 Sb 0.91090245746348 0.41443589011327 0.31569712773400 121.760 > 8 46 Sb 0.24423579079681 0.41443589011327 0.81569712773400 121.760 > 8 47 Sb 0.57756912413015 0.41443589011327 0.81569712773400 121.760 > 8 48 Sb 0.91090245746348 0.41443589011327 0.81569712773400 121.760 > 8 *49 Pb 0.25088161386414 0.41978389892122 0.07406591808367 207.200 > 9 50 Pb 0.58421494719747 0.41978389892122 0.07406591808367 207.200 > 9 51 Pb 0.91754828053081 0.41978389892122 0.07406591808367 207.200 > 9 52 Pb 0.25088161386414 0.41978389892122 0.57406591808367 207.200 > 9 53 Pb 0.58421494719747 0.41978389892122 0.57406591808367 207.200 > 9 54 Pb 0.91754828053081 0.41978389892122 0.57406591808367 207.200 > 9 55 Pb 0.25088161386414 0.08021610107878 0.32406591808367 207.200 > 10 56 Pb 0.58421494719747 0.08021610107878 0.32406591808367 207.200 > 10 57 Pb 0.91754828053081 0.08021610107878 0.32406591808367 207.200 > 10 58 Pb 0.25088161386414 0.08021610107878 0.82406591808367 207.200 > 10 59 Pb 0.58421494719747 0.08021610107878 0.82406591808367 207.200 > 10 60 Pb 0.91754828053081 0.08021610107878 0.82406591808367 207.200 > 10 61 Pb 0.08245171946919 0.91978389892122 0.17593408191633 207.200 > 11 62 Pb 0.41578505280253 0.91978389892122 0.17593408191633 207.200 > 11 63 Pb 0.74911838613586 0.91978389892122 0.17593408191633 207.200 > 11 64 Pb 0.08245171946919 0.91978389892122 0.67593408191633 207.200 > 11 65 Pb 0.41578505280253 0.91978389892122 0.67593408191633 207.200 > 11 66 Pb 0.74911838613586 0.91978389892122 0.67593408191633 207.200 > 11 67 Pb 0.08245171946919 0.58021610107878 0.42593408191633 207.200 > 12 68 Pb 0.41578505280253 0.58021610107878 0.42593408191633 207.200 > 12 69 Pb 0.74911838613586 0.58021610107878 0.42593408191633 207.200 > 12 70 Pb 0.08245171946919 0.58021610107878 0.92593408191633 207.200 > 12 71 Pb 0.41578505280253 0.58021610107878 0.92593408191633 207.200 > 12 72 Pb 0.74911838613586 0.58021610107878 0.92593408191633 207.200 > 12 *73 S 0.08540080326384 0.43325828848186 0.07400552117604 32.065 > 13 74 S 0.41873413659717 0.43325828848186 0.07400552117604 32.065 > 13 75 S 0.75206746993050 0.43325828848186 0.07400552117604 32.065 > 13 76 S 0.08540080326384 0.43325828848186 0.57400552117604 32.065 > 13 77 S 0.41873413659717 0.43325828848186 0.57400552117604 32.065 > 13 78 S 0.75206746993050 0.43325828848186 0.57400552117604 32.065 > 13 *79 S 0.04815273923355 0.37588673768261 0.31409418071858 32.065 > 14 80 S 0.38148607256688 0.37588673768261 0.31409418071858 32.065 > 14 81 S 0.71481940590022 0.37588673768261 0.31409418071858 32.065 > 14 82 S 0.04815273923355 0.37588673768261 0.81409418071858 32.065 > 14 83 S 0.38148607256688 0.37588673768261 0.81409418071858 32.065 > 14 84 S 0.71481940590022 0.37588673768261 0.81409418071858 32.065 > 14 85 S 0.08540080326384 0.06674171151814 0.32400552117604 32.065 > 15 86 S 0.41873413659717 0.06674171151814 0.32400552117604 32.065 > 15 87 S 0.75206746993050 0.06674171151814 0.32400552117604 32.065 > 15 88 S 0.08540080326384 0.06674171151814 0.82400552117604 32.065 > 15 89 S 0.41873413659717 0.06674171151814 0.82400552117604 32.065 > 15 90 S 0.75206746993050 0.06674171151814 0.82400552117604 32.065 > 15 91 S 0.24793253006950 0.56674171151814 0.42599447882396 32.065 > 16 92 S 0.58126586340283 0.56674171151814 0.42599447882396 32.065 > 16 93 S 0.91459919673616 0.56674171151814 0.42599447882396 32.065 > 16 94 S 0.24793253006950 0.56674171151814 0.92599447882396 32.065 > 16 95 S 0.58126586340283 0.56674171151814 0.92599447882396 32.065 > 16 96 S 0.91459919673616 0.56674171151814 0.92599447882396 32.065 > 16 97 S 0.04815273923355 0.12411326231739 0.06409418071858 32.065 > 17 98 S 0.38148607256688 0.12411326231739 0.06409418071858 32.065 > 17 99 S 0.71481940590022 0.12411326231739 0.06409418071858 32.065 > 17 100 S 0.04815273923355 0.12411326231739 0.56409418071858 32.065 > 17 101 S 0.38148607256688 0.12411326231739 0.56409418071858 32.065 > 17 102 S 0.71481940590022 0.12411326231739 0.56409418071858 32.065 > 17 103 S 0.28518059409978 0.62411326231739 0.18590581928142 32.065 > 18 104 S 0.61851392743312 0.62411326231739 0.18590581928142 32.065 > 18 105 S 0.95184726076645 0.62411326231739 0.18590581928142 32.065 > 18 106 S 0.28518059409978 0.62411326231739 0.68590581928142 32.065 > 18 107 S 0.61851392743312 0.62411326231739 0.68590581928142 32.065 > 18 108 S 0.95184726076645 0.62411326231739 0.68590581928142 32.065 > 18 109 S 0.24793253006950 0.93325828848186 0.17599447882396 32.065 > 19 110 S 0.58126586340283 0.93325828848186 0.17599447882396 32.065 > 19 111 S 0.91459919673616 0.93325828848186 0.17599447882396 32.065 > 19 112 S 0.24793253006950 0.93325828848186 0.67599447882396 32.065 > 19 113 S 0.58126586340283 0.93325828848186 0.67599447882396 32.065 > 19 114 S 0.91459919673616 0.93325828848186 0.67599447882396 32.065 > 19 *115 S 0.11080384562303 0.72282722619589 0.06776752994719 32.065 > 20 116 S 0.44413717895637 0.72282722619589 0.06776752994719 32.065 > 20 117 S 0.77747051228970 0.72282722619589 0.06776752994719 32.065 > 20 118 S 0.11080384562303 0.72282722619589 0.56776752994719 32.065 > 20 119 S 0.44413717895637 0.72282722619589 0.56776752994719 32.065 > 20 120 S 0.77747051228970 0.72282722619589 0.56776752994719 32.065 > 20 121 S 0.11080384562303 0.77717277380411 0.31776752994719 32.065 > 21 122 S 0.44413717895637 0.77717277380411 0.31776752994719 32.065 > 21 123 S 0.77747051228970 0.77717277380411 0.31776752994719 32.065 > 21 124 S 0.11080384562303 0.77717277380411 0.81776752994719 32.065 > 21 125 S 0.44413717895637 0.77717277380411 0.81776752994719 32.065 > 21 126 S 0.77747051228970 0.77717277380411 0.81776752994719 32.065 > 21 127 S 0.22252948771030 0.22282722619589 0.18223247005281 32.065 > 22 128 S 0.55586282104363 0.22282722619589 0.18223247005281 32.065 > 22 129 S 0.88919615437697 0.22282722619589 0.18223247005281 32.065 > 22 130 S 0.22252948771030 0.22282722619589 0.68223247005281 32.065 > 22 131 S 0.55586282104363 0.22282722619589 0.68223247005281 32.065 > 22 132 S 0.88919615437697 0.22282722619589 0.68223247005281 32.065 > 22 133 S 0.28518059409978 0.87588673768261 0.43590581928142 32.065 > 23 134 S 0.61851392743312 0.87588673768261 0.43590581928142 32.065 > 23 135 S 0.95184726076645 0.87588673768261 0.43590581928142 32.065 > 23 136 S 0.28518059409978 0.87588673768261 0.93590581928142 32.065 > 23 137 S 0.61851392743312 0.87588673768261 0.93590581928142 32.065 > 23 138 S 0.95184726076645 0.87588673768261 0.93590581928142 32.065 > 23 139 S 0.22252948771030 0.27717277380411 0.43223247005281 32.065 > 24 140 S 0.55586282104363 0.27717277380411 0.43223247005281 32.065 > 24 141 S 0.88919615437697 0.27717277380411 0.43223247005281 32.065 > 24 142 S 0.22252948771030 0.27717277380411 0.93223247005281 32.065 > 24 143 S 0.55586282104363 0.27717277380411 0.93223247005281 32.065 > 24 144 S 0.88919615437697 0.27717277380411 0.93223247005281 32.065 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.3853471 0.0000000 -0.9022307 0.0000000 14.5430666 0.0000000 -0.9022330 0.0000000 14.4086417 -------------------------- Born effective charges -------------------------- 1 Ag 1.1339942 -0.2565925 -0.1928024 -0.2090777 1.4295070 -0.0278151 -0.2120573 0.1416382 1.0835697 2 Ag 1.1339942 -0.2565925 -0.1928024 -0.2090777 1.4295070 -0.0278151 -0.2120573 0.1416382 1.0835697 3 Ag 1.1339942 0.2565925 -0.1928024 0.2090777 1.4295070 0.0278151 -0.2120573 -0.1416382 1.0835697 4 Ag 1.1339942 0.2565925 -0.1928024 0.2090777 1.4295070 0.0278151 -0.2120573 -0.1416382 1.0835697 5 Sb 2.5570736 -0.2442600 -0.9385721 -0.8232816 3.4700024 0.0689184 -0.6667386 -0.0287816 3.4446102 6 Sb 2.5570736 0.2442600 -0.9385721 0.8232816 3.4700024 -0.0689184 -0.6667386 0.0287816 3.4446102 7 Sb 2.5570736 -0.2442600 -0.9385721 -0.8232816 3.4700024 0.0689184 -0.6667386 -0.0287816 3.4446102 8 Sb 2.5570736 0.2442600 -0.9385721 0.8232816 3.4700024 -0.0689184 -0.6667386 0.0287816 3.4446102 9 Pb 3.9709678 0.3963794 0.1800311 0.5956936 3.9424047 -0.0923793 0.2539776 0.0373304 4.1109086 10 Pb 3.9709678 -0.3963794 0.1800311 -0.5956936 3.9424047 0.0923793 0.2539776 -0.0373304 4.1109086 11 Pb 3.9709678 -0.3963794 0.1800311 -0.5956936 3.9424047 0.0923793 0.2539776 -0.0373304 4.1109086 12 Pb 3.9709678 0.3963794 0.1800311 0.5956936 3.9424047 -0.0923793 0.2539776 0.0373304 4.1109086 13 S -2.2029554 0.3208628 0.4927765 -0.1773344 -2.6438634 -0.0235937 0.0680755 -0.0424662 -2.8327883 14 S -3.5057087 -0.1610811 -0.1468464 -0.4002375 -2.2408138 0.0328263 0.4138456 -0.2013688 -1.7793140 15 S -2.2029554 -0.3208628 0.4927765 0.1773344 -2.6438634 0.0235937 0.0680755 0.0424662 -2.8327883 16 S -2.2029554 0.3208628 0.4927765 -0.1773344 -2.6438634 -0.0235937 0.0680755 -0.0424662 -2.8327883 17 S -3.5057087 0.1610811 -0.1468464 0.4002375 -2.2408138 -0.0328263 0.4138456 0.2013688 -1.7793140 18 S -3.5057087 -0.1610811 -0.1468464 -0.4002375 -2.2408138 0.0328263 0.4138456 -0.2013688 -1.7793140 19 S -2.2029554 -0.3208628 0.4927765 0.1773344 -2.6438634 0.0235937 0.0680755 0.0424662 -2.8327883 20 S -1.9533715 -0.7292123 0.6054133 -0.1862559 -3.9572368 0.1765945 0.1428971 -0.0026851 -4.0269864 21 S -1.9533715 0.7292123 0.6054133 0.1862559 -3.9572368 -0.1765945 0.1428971 0.0026851 -4.0269864 22 S -1.9533715 0.7292123 0.6054133 0.1862559 -3.9572368 -0.1765945 0.1428971 0.0026851 -4.0269864 23 S -3.5057087 0.1610811 -0.1468464 0.4002375 -2.2408138 -0.0328263 0.4138456 0.2013688 -1.7793140 24 S -1.9533715 -0.7292123 0.6054133 -0.1862559 -3.9572368 0.1765945 0.1428971 -0.0026851 -4.0269864 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.295 Solver_block: 200 / 720 - Time: 1.167 Solver_block: 300 / 720 - Time: 1.131 Solver_block: 400 / 720 - Time: 1.164 Solver_block: 500 / 720 - Time: 1.155 Solver_block: 600 / 720 - Time: 1.166 Solver_block: 700 / 720 - Time: 1.162 Solver_block: 720 / 720 - Time: 0.322 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.790 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:30:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:30:59]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.870395482969188 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419250770000003 0.000000000000000 c -0.208165702427249 0.000000000000000 7.566263414610571 Atomic positions (fractional): 1 Ag 0.23677956056489 0.25771011553962 0.37376643586518 107.868 2 Ag 0.76322043943511 0.74228988446038 0.62623356413482 107.868 3 Ag 0.76322043943511 0.75771011553962 0.12623356413482 107.868 4 Ag 0.23677956056489 0.24228988446038 0.87376643586518 107.868 5 Sb 0.73270737239044 0.08556410988673 0.13139425546800 121.760 6 Sb 0.26729262760956 0.58556410988673 0.36860574453200 121.760 7 Sb 0.26729262760956 0.91443589011327 0.86860574453200 121.760 8 Sb 0.73270737239044 0.41443589011327 0.63139425546800 121.760 9 Pb 0.75264484159242 0.41978389892122 0.14813183616735 207.200 10 Pb 0.75264484159242 0.08021610107878 0.64813183616735 207.200 11 Pb 0.24735515840758 0.91978389892122 0.35186816383265 207.200 12 Pb 0.24735515840758 0.58021610107878 0.85186816383265 207.200 13 S 0.25620240979151 0.43325828848186 0.14801104235208 32.065 14 S 0.14445821770065 0.37588673768261 0.62818836143716 32.065 15 S 0.25620240979151 0.06674171151814 0.64801104235208 32.065 16 S 0.74379759020849 0.56674171151814 0.85198895764792 32.065 17 S 0.14445821770065 0.12411326231739 0.12818836143716 32.065 18 S 0.85554178229935 0.62411326231739 0.37181163856284 32.065 19 S 0.74379759020849 0.93325828848186 0.35198895764792 32.065 20 S 0.33241153686910 0.72282722619589 0.13553505989438 32.065 21 S 0.33241153686910 0.77717277380411 0.63553505989438 32.065 22 S 0.66758846313090 0.22282722619589 0.36446494010562 32.065 23 S 0.85554178229935 0.87588673768261 0.87181163856284 32.065 24 S 0.66758846313090 0.27717277380411 0.86446494010562 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.611186448907564 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419250770000003 0.000000000000000 c -0.416331404854498 0.000000000000000 15.132526829221142 Atomic positions (fractional): 1 Ag 0.07892652018830 0.25771011553962 0.18688321793259 107.868 > 1 2 Ag 0.41225985352163 0.25771011553962 0.18688321793259 107.868 > 1 3 Ag 0.74559318685496 0.25771011553962 0.18688321793259 107.868 > 1 4 Ag 0.07892652018830 0.25771011553962 0.68688321793259 107.868 > 1 5 Ag 0.41225985352163 0.25771011553962 0.68688321793259 107.868 > 1 6 Ag 0.74559318685496 0.25771011553962 0.68688321793259 107.868 > 1 7 Ag 0.25440681314504 0.74228988446038 0.31311678206741 107.868 > 7 8 Ag 0.58774014647837 0.74228988446038 0.31311678206741 107.868 > 7 9 Ag 0.92107347981170 0.74228988446038 0.31311678206741 107.868 > 7 10 Ag 0.25440681314504 0.74228988446038 0.81311678206741 107.868 > 7 11 Ag 0.58774014647837 0.74228988446038 0.81311678206741 107.868 > 7 12 Ag 0.92107347981170 0.74228988446038 0.81311678206741 107.868 > 7 13 Ag 0.25440681314504 0.75771011553962 0.06311678206741 107.868 > 13 14 Ag 0.58774014647837 0.75771011553962 0.06311678206741 107.868 > 13 15 Ag 0.92107347981170 0.75771011553962 0.06311678206741 107.868 > 13 16 Ag 0.25440681314504 0.75771011553962 0.56311678206741 107.868 > 13 17 Ag 0.58774014647837 0.75771011553962 0.56311678206741 107.868 > 13 18 Ag 0.92107347981170 0.75771011553962 0.56311678206741 107.868 > 13 19 Ag 0.07892652018830 0.24228988446038 0.43688321793259 107.868 > 19 20 Ag 0.41225985352163 0.24228988446038 0.43688321793259 107.868 > 19 21 Ag 0.74559318685496 0.24228988446038 0.43688321793259 107.868 > 19 22 Ag 0.07892652018830 0.24228988446038 0.93688321793259 107.868 > 19 23 Ag 0.41225985352163 0.24228988446038 0.93688321793259 107.868 > 19 24 Ag 0.74559318685496 0.24228988446038 0.93688321793259 107.868 > 19 25 Sb 0.24423579079681 0.08556410988673 0.06569712773400 121.760 > 25 26 Sb 0.57756912413015 0.08556410988673 0.06569712773400 121.760 > 25 27 Sb 0.91090245746348 0.08556410988673 0.06569712773400 121.760 > 25 28 Sb 0.24423579079681 0.08556410988673 0.56569712773400 121.760 > 25 29 Sb 0.57756912413015 0.08556410988673 0.56569712773400 121.760 > 25 30 Sb 0.91090245746348 0.08556410988673 0.56569712773400 121.760 > 25 31 Sb 0.08909754253652 0.58556410988673 0.18430287226600 121.760 > 31 32 Sb 0.42243087586985 0.58556410988673 0.18430287226600 121.760 > 31 33 Sb 0.75576420920319 0.58556410988673 0.18430287226600 121.760 > 31 34 Sb 0.08909754253652 0.58556410988673 0.68430287226600 121.760 > 31 35 Sb 0.42243087586985 0.58556410988673 0.68430287226600 121.760 > 31 36 Sb 0.75576420920319 0.58556410988673 0.68430287226600 121.760 > 31 37 Sb 0.08909754253652 0.91443589011327 0.43430287226600 121.760 > 37 38 Sb 0.42243087586985 0.91443589011327 0.43430287226600 121.760 > 37 39 Sb 0.75576420920319 0.91443589011327 0.43430287226600 121.760 > 37 40 Sb 0.08909754253652 0.91443589011327 0.93430287226600 121.760 > 37 41 Sb 0.42243087586985 0.91443589011327 0.93430287226600 121.760 > 37 42 Sb 0.75576420920319 0.91443589011327 0.93430287226600 121.760 > 37 43 Sb 0.24423579079681 0.41443589011327 0.31569712773400 121.760 > 43 44 Sb 0.57756912413015 0.41443589011327 0.31569712773400 121.760 > 43 45 Sb 0.91090245746348 0.41443589011327 0.31569712773400 121.760 > 43 46 Sb 0.24423579079681 0.41443589011327 0.81569712773400 121.760 > 43 47 Sb 0.57756912413015 0.41443589011327 0.81569712773400 121.760 > 43 48 Sb 0.91090245746348 0.41443589011327 0.81569712773400 121.760 > 43 49 Pb 0.25088161386414 0.41978389892122 0.07406591808367 207.200 > 49 50 Pb 0.58421494719747 0.41978389892122 0.07406591808367 207.200 > 49 51 Pb 0.91754828053081 0.41978389892122 0.07406591808367 207.200 > 49 52 Pb 0.25088161386414 0.41978389892122 0.57406591808367 207.200 > 49 53 Pb 0.58421494719747 0.41978389892122 0.57406591808367 207.200 > 49 54 Pb 0.91754828053081 0.41978389892122 0.57406591808367 207.200 > 49 55 Pb 0.25088161386414 0.08021610107878 0.32406591808367 207.200 > 55 56 Pb 0.58421494719747 0.08021610107878 0.32406591808367 207.200 > 55 57 Pb 0.91754828053081 0.08021610107878 0.32406591808367 207.200 > 55 58 Pb 0.25088161386414 0.08021610107878 0.82406591808367 207.200 > 55 59 Pb 0.58421494719747 0.08021610107878 0.82406591808367 207.200 > 55 60 Pb 0.91754828053081 0.08021610107878 0.82406591808367 207.200 > 55 61 Pb 0.08245171946919 0.91978389892122 0.17593408191633 207.200 > 61 62 Pb 0.41578505280253 0.91978389892122 0.17593408191633 207.200 > 61 63 Pb 0.74911838613586 0.91978389892122 0.17593408191633 207.200 > 61 64 Pb 0.08245171946919 0.91978389892122 0.67593408191633 207.200 > 61 65 Pb 0.41578505280253 0.91978389892122 0.67593408191633 207.200 > 61 66 Pb 0.74911838613586 0.91978389892122 0.67593408191633 207.200 > 61 67 Pb 0.08245171946919 0.58021610107878 0.42593408191633 207.200 > 67 68 Pb 0.41578505280253 0.58021610107878 0.42593408191633 207.200 > 67 69 Pb 0.74911838613586 0.58021610107878 0.42593408191633 207.200 > 67 70 Pb 0.08245171946919 0.58021610107878 0.92593408191633 207.200 > 67 71 Pb 0.41578505280253 0.58021610107878 0.92593408191633 207.200 > 67 72 Pb 0.74911838613586 0.58021610107878 0.92593408191633 207.200 > 67 73 S 0.08540080326384 0.43325828848186 0.07400552117604 32.065 > 73 74 S 0.41873413659717 0.43325828848186 0.07400552117604 32.065 > 73 75 S 0.75206746993050 0.43325828848186 0.07400552117604 32.065 > 73 76 S 0.08540080326384 0.43325828848186 0.57400552117604 32.065 > 73 77 S 0.41873413659717 0.43325828848186 0.57400552117604 32.065 > 73 78 S 0.75206746993050 0.43325828848186 0.57400552117604 32.065 > 73 79 S 0.04815273923355 0.37588673768261 0.31409418071858 32.065 > 79 80 S 0.38148607256688 0.37588673768261 0.31409418071858 32.065 > 79 81 S 0.71481940590022 0.37588673768261 0.31409418071858 32.065 > 79 82 S 0.04815273923355 0.37588673768261 0.81409418071858 32.065 > 79 83 S 0.38148607256688 0.37588673768261 0.81409418071858 32.065 > 79 84 S 0.71481940590022 0.37588673768261 0.81409418071858 32.065 > 79 85 S 0.08540080326384 0.06674171151814 0.32400552117604 32.065 > 85 86 S 0.41873413659717 0.06674171151814 0.32400552117604 32.065 > 85 87 S 0.75206746993050 0.06674171151814 0.32400552117604 32.065 > 85 88 S 0.08540080326384 0.06674171151814 0.82400552117604 32.065 > 85 89 S 0.41873413659717 0.06674171151814 0.82400552117604 32.065 > 85 90 S 0.75206746993050 0.06674171151814 0.82400552117604 32.065 > 85 91 S 0.24793253006950 0.56674171151814 0.42599447882396 32.065 > 91 92 S 0.58126586340283 0.56674171151814 0.42599447882396 32.065 > 91 93 S 0.91459919673616 0.56674171151814 0.42599447882396 32.065 > 91 94 S 0.24793253006950 0.56674171151814 0.92599447882396 32.065 > 91 95 S 0.58126586340283 0.56674171151814 0.92599447882396 32.065 > 91 96 S 0.91459919673616 0.56674171151814 0.92599447882396 32.065 > 91 97 S 0.04815273923355 0.12411326231739 0.06409418071858 32.065 > 97 98 S 0.38148607256688 0.12411326231739 0.06409418071858 32.065 > 97 99 S 0.71481940590022 0.12411326231739 0.06409418071858 32.065 > 97 100 S 0.04815273923355 0.12411326231739 0.56409418071858 32.065 > 97 101 S 0.38148607256688 0.12411326231739 0.56409418071858 32.065 > 97 102 S 0.71481940590022 0.12411326231739 0.56409418071858 32.065 > 97 103 S 0.28518059409978 0.62411326231739 0.18590581928142 32.065 > 103 104 S 0.61851392743312 0.62411326231739 0.18590581928142 32.065 > 103 105 S 0.95184726076645 0.62411326231739 0.18590581928142 32.065 > 103 106 S 0.28518059409978 0.62411326231739 0.68590581928142 32.065 > 103 107 S 0.61851392743312 0.62411326231739 0.68590581928142 32.065 > 103 108 S 0.95184726076645 0.62411326231739 0.68590581928142 32.065 > 103 109 S 0.24793253006950 0.93325828848186 0.17599447882396 32.065 > 109 110 S 0.58126586340283 0.93325828848186 0.17599447882396 32.065 > 109 111 S 0.91459919673616 0.93325828848186 0.17599447882396 32.065 > 109 112 S 0.24793253006950 0.93325828848186 0.67599447882396 32.065 > 109 113 S 0.58126586340283 0.93325828848186 0.67599447882396 32.065 > 109 114 S 0.91459919673616 0.93325828848186 0.67599447882396 32.065 > 109 115 S 0.11080384562303 0.72282722619589 0.06776752994719 32.065 > 115 116 S 0.44413717895637 0.72282722619589 0.06776752994719 32.065 > 115 117 S 0.77747051228970 0.72282722619589 0.06776752994719 32.065 > 115 118 S 0.11080384562303 0.72282722619589 0.56776752994719 32.065 > 115 119 S 0.44413717895637 0.72282722619589 0.56776752994719 32.065 > 115 120 S 0.77747051228970 0.72282722619589 0.56776752994719 32.065 > 115 121 S 0.11080384562303 0.77717277380411 0.31776752994719 32.065 > 121 122 S 0.44413717895637 0.77717277380411 0.31776752994719 32.065 > 121 123 S 0.77747051228970 0.77717277380411 0.31776752994719 32.065 > 121 124 S 0.11080384562303 0.77717277380411 0.81776752994719 32.065 > 121 125 S 0.44413717895637 0.77717277380411 0.81776752994719 32.065 > 121 126 S 0.77747051228970 0.77717277380411 0.81776752994719 32.065 > 121 127 S 0.22252948771030 0.22282722619589 0.18223247005281 32.065 > 127 128 S 0.55586282104363 0.22282722619589 0.18223247005281 32.065 > 127 129 S 0.88919615437697 0.22282722619589 0.18223247005281 32.065 > 127 130 S 0.22252948771030 0.22282722619589 0.68223247005281 32.065 > 127 131 S 0.55586282104363 0.22282722619589 0.68223247005281 32.065 > 127 132 S 0.88919615437697 0.22282722619589 0.68223247005281 32.065 > 127 133 S 0.28518059409978 0.87588673768261 0.43590581928142 32.065 > 133 134 S 0.61851392743312 0.87588673768261 0.43590581928142 32.065 > 133 135 S 0.95184726076645 0.87588673768261 0.43590581928142 32.065 > 133 136 S 0.28518059409978 0.87588673768261 0.93590581928142 32.065 > 133 137 S 0.61851392743312 0.87588673768261 0.93590581928142 32.065 > 133 138 S 0.95184726076645 0.87588673768261 0.93590581928142 32.065 > 133 139 S 0.22252948771030 0.27717277380411 0.43223247005281 32.065 > 139 140 S 0.55586282104363 0.27717277380411 0.43223247005281 32.065 > 139 141 S 0.88919615437697 0.27717277380411 0.43223247005281 32.065 > 139 142 S 0.22252948771030 0.27717277380411 0.93223247005281 32.065 > 139 143 S 0.55586282104363 0.27717277380411 0.93223247005281 32.065 > 139 144 S 0.88919615437697 0.27717277380411 0.93223247005281 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.3853471 0.0000000 -0.9022307 0.0000000 14.5430666 0.0000000 -0.9022330 0.0000000 14.4086417 -------------------------- Born effective charges -------------------------- 1 Ag 1.1339942 -0.2565925 -0.1928024 -0.2090777 1.4295070 -0.0278151 -0.2120573 0.1416382 1.0835697 2 Ag 1.1339942 -0.2565925 -0.1928024 -0.2090777 1.4295070 -0.0278151 -0.2120573 0.1416382 1.0835697 3 Ag 1.1339942 0.2565925 -0.1928024 0.2090777 1.4295070 0.0278151 -0.2120573 -0.1416382 1.0835697 4 Ag 1.1339942 0.2565925 -0.1928024 0.2090777 1.4295070 0.0278151 -0.2120573 -0.1416382 1.0835697 5 Sb 2.5570736 -0.2442600 -0.9385721 -0.8232816 3.4700024 0.0689184 -0.6667386 -0.0287816 3.4446102 6 Sb 2.5570736 0.2442600 -0.9385721 0.8232816 3.4700024 -0.0689184 -0.6667386 0.0287816 3.4446102 7 Sb 2.5570736 -0.2442600 -0.9385721 -0.8232816 3.4700024 0.0689184 -0.6667386 -0.0287816 3.4446102 8 Sb 2.5570736 0.2442600 -0.9385721 0.8232816 3.4700024 -0.0689184 -0.6667386 0.0287816 3.4446102 9 Pb 3.9709678 0.3963794 0.1800311 0.5956936 3.9424047 -0.0923793 0.2539776 0.0373304 4.1109086 10 Pb 3.9709678 -0.3963794 0.1800311 -0.5956936 3.9424047 0.0923793 0.2539776 -0.0373304 4.1109086 11 Pb 3.9709678 -0.3963794 0.1800311 -0.5956936 3.9424047 0.0923793 0.2539776 -0.0373304 4.1109086 12 Pb 3.9709678 0.3963794 0.1800311 0.5956936 3.9424047 -0.0923793 0.2539776 0.0373304 4.1109086 13 S -2.2029554 0.3208628 0.4927765 -0.1773344 -2.6438634 -0.0235937 0.0680755 -0.0424662 -2.8327883 14 S -3.5057087 -0.1610811 -0.1468464 -0.4002375 -2.2408138 0.0328263 0.4138456 -0.2013688 -1.7793140 15 S -2.2029554 -0.3208628 0.4927765 0.1773344 -2.6438634 0.0235937 0.0680755 0.0424662 -2.8327883 16 S -2.2029554 0.3208628 0.4927765 -0.1773344 -2.6438634 -0.0235937 0.0680755 -0.0424662 -2.8327883 17 S -3.5057087 0.1610811 -0.1468464 0.4002375 -2.2408138 -0.0328263 0.4138456 0.2013688 -1.7793140 18 S -3.5057087 -0.1610811 -0.1468464 -0.4002375 -2.2408138 0.0328263 0.4138456 -0.2013688 -1.7793140 19 S -2.2029554 -0.3208628 0.4927765 0.1773344 -2.6438634 0.0235937 0.0680755 0.0424662 -2.8327883 20 S -1.9533715 -0.7292123 0.6054133 -0.1862559 -3.9572368 0.1765945 0.1428971 -0.0026851 -4.0269864 21 S -1.9533715 0.7292123 0.6054133 0.1862559 -3.9572368 -0.1765945 0.1428971 0.0026851 -4.0269864 22 S -1.9533715 0.7292123 0.6054133 0.1862559 -3.9572368 -0.1765945 0.1428971 0.0026851 -4.0269864 23 S -3.5057087 0.1610811 -0.1468464 0.4002375 -2.2408138 -0.0328263 0.4138456 0.2013688 -1.7793140 24 S -1.9533715 -0.7292123 0.6054133 -0.1862559 -3.9572368 0.1765945 0.1428971 -0.0026851 -4.0269864 ---------------------------------------------------------------------------- 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 79, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 115, 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] [-0.0003 0.0000 0.0100] [ 0.0003 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 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:31:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:31:33]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.870395482969188 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419250770000003 0.000000000000000 c -0.208165702427249 0.000000000000000 7.566263414610571 Atomic positions (fractional): 1 Ag 0.23677956056489 0.25771011553962 0.37376643586518 107.868 2 Ag 0.76322043943511 0.74228988446038 0.62623356413482 107.868 3 Ag 0.76322043943511 0.75771011553962 0.12623356413482 107.868 4 Ag 0.23677956056489 0.24228988446038 0.87376643586518 107.868 5 Sb 0.73270737239044 0.08556410988673 0.13139425546800 121.760 6 Sb 0.26729262760956 0.58556410988673 0.36860574453200 121.760 7 Sb 0.26729262760956 0.91443589011327 0.86860574453200 121.760 8 Sb 0.73270737239044 0.41443589011327 0.63139425546800 121.760 9 Pb 0.75264484159242 0.41978389892122 0.14813183616735 207.200 10 Pb 0.75264484159242 0.08021610107878 0.64813183616735 207.200 11 Pb 0.24735515840758 0.91978389892122 0.35186816383265 207.200 12 Pb 0.24735515840758 0.58021610107878 0.85186816383265 207.200 13 S 0.25620240979151 0.43325828848186 0.14801104235208 32.065 14 S 0.14445821770065 0.37588673768261 0.62818836143716 32.065 15 S 0.25620240979151 0.06674171151814 0.64801104235208 32.065 16 S 0.74379759020849 0.56674171151814 0.85198895764792 32.065 17 S 0.14445821770065 0.12411326231739 0.12818836143716 32.065 18 S 0.85554178229935 0.62411326231739 0.37181163856284 32.065 19 S 0.74379759020849 0.93325828848186 0.35198895764792 32.065 20 S 0.33241153686910 0.72282722619589 0.13553505989438 32.065 21 S 0.33241153686910 0.77717277380411 0.63553505989438 32.065 22 S 0.66758846313090 0.22282722619589 0.36446494010562 32.065 23 S 0.85554178229935 0.87588673768261 0.87181163856284 32.065 24 S 0.66758846313090 0.27717277380411 0.86446494010562 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.611186448907564 0.000000000000000 0.000000000000000 b 0.000000000000000 12.419250770000003 0.000000000000000 c -0.416331404854498 0.000000000000000 15.132526829221142 Atomic positions (fractional): 1 Ag 0.07892652018830 0.25771011553962 0.18688321793259 107.868 > 1 2 Ag 0.41225985352163 0.25771011553962 0.18688321793259 107.868 > 1 3 Ag 0.74559318685496 0.25771011553962 0.18688321793259 107.868 > 1 4 Ag 0.07892652018830 0.25771011553962 0.68688321793259 107.868 > 1 5 Ag 0.41225985352163 0.25771011553962 0.68688321793259 107.868 > 1 6 Ag 0.74559318685496 0.25771011553962 0.68688321793259 107.868 > 1 7 Ag 0.25440681314504 0.74228988446038 0.31311678206741 107.868 > 7 8 Ag 0.58774014647837 0.74228988446038 0.31311678206741 107.868 > 7 9 Ag 0.92107347981170 0.74228988446038 0.31311678206741 107.868 > 7 10 Ag 0.25440681314504 0.74228988446038 0.81311678206741 107.868 > 7 11 Ag 0.58774014647837 0.74228988446038 0.81311678206741 107.868 > 7 12 Ag 0.92107347981170 0.74228988446038 0.81311678206741 107.868 > 7 13 Ag 0.25440681314504 0.75771011553962 0.06311678206741 107.868 > 13 14 Ag 0.58774014647837 0.75771011553962 0.06311678206741 107.868 > 13 15 Ag 0.92107347981170 0.75771011553962 0.06311678206741 107.868 > 13 16 Ag 0.25440681314504 0.75771011553962 0.56311678206741 107.868 > 13 17 Ag 0.58774014647837 0.75771011553962 0.56311678206741 107.868 > 13 18 Ag 0.92107347981170 0.75771011553962 0.56311678206741 107.868 > 13 19 Ag 0.07892652018830 0.24228988446038 0.43688321793259 107.868 > 19 20 Ag 0.41225985352163 0.24228988446038 0.43688321793259 107.868 > 19 21 Ag 0.74559318685496 0.24228988446038 0.43688321793259 107.868 > 19 22 Ag 0.07892652018830 0.24228988446038 0.93688321793259 107.868 > 19 23 Ag 0.41225985352163 0.24228988446038 0.93688321793259 107.868 > 19 24 Ag 0.74559318685496 0.24228988446038 0.93688321793259 107.868 > 19 25 Sb 0.24423579079681 0.08556410988673 0.06569712773400 121.760 > 25 26 Sb 0.57756912413015 0.08556410988673 0.06569712773400 121.760 > 25 27 Sb 0.91090245746348 0.08556410988673 0.06569712773400 121.760 > 25 28 Sb 0.24423579079681 0.08556410988673 0.56569712773400 121.760 > 25 29 Sb 0.57756912413015 0.08556410988673 0.56569712773400 121.760 > 25 30 Sb 0.91090245746348 0.08556410988673 0.56569712773400 121.760 > 25 31 Sb 0.08909754253652 0.58556410988673 0.18430287226600 121.760 > 31 32 Sb 0.42243087586985 0.58556410988673 0.18430287226600 121.760 > 31 33 Sb 0.75576420920319 0.58556410988673 0.18430287226600 121.760 > 31 34 Sb 0.08909754253652 0.58556410988673 0.68430287226600 121.760 > 31 35 Sb 0.42243087586985 0.58556410988673 0.68430287226600 121.760 > 31 36 Sb 0.75576420920319 0.58556410988673 0.68430287226600 121.760 > 31 37 Sb 0.08909754253652 0.91443589011327 0.43430287226600 121.760 > 37 38 Sb 0.42243087586985 0.91443589011327 0.43430287226600 121.760 > 37 39 Sb 0.75576420920319 0.91443589011327 0.43430287226600 121.760 > 37 40 Sb 0.08909754253652 0.91443589011327 0.93430287226600 121.760 > 37 41 Sb 0.42243087586985 0.91443589011327 0.93430287226600 121.760 > 37 42 Sb 0.75576420920319 0.91443589011327 0.93430287226600 121.760 > 37 43 Sb 0.24423579079681 0.41443589011327 0.31569712773400 121.760 > 43 44 Sb 0.57756912413015 0.41443589011327 0.31569712773400 121.760 > 43 45 Sb 0.91090245746348 0.41443589011327 0.31569712773400 121.760 > 43 46 Sb 0.24423579079681 0.41443589011327 0.81569712773400 121.760 > 43 47 Sb 0.57756912413015 0.41443589011327 0.81569712773400 121.760 > 43 48 Sb 0.91090245746348 0.41443589011327 0.81569712773400 121.760 > 43 49 Pb 0.25088161386414 0.41978389892122 0.07406591808367 207.200 > 49 50 Pb 0.58421494719747 0.41978389892122 0.07406591808367 207.200 > 49 51 Pb 0.91754828053081 0.41978389892122 0.07406591808367 207.200 > 49 52 Pb 0.25088161386414 0.41978389892122 0.57406591808367 207.200 > 49 53 Pb 0.58421494719747 0.41978389892122 0.57406591808367 207.200 > 49 54 Pb 0.91754828053081 0.41978389892122 0.57406591808367 207.200 > 49 55 Pb 0.25088161386414 0.08021610107878 0.32406591808367 207.200 > 55 56 Pb 0.58421494719747 0.08021610107878 0.32406591808367 207.200 > 55 57 Pb 0.91754828053081 0.08021610107878 0.32406591808367 207.200 > 55 58 Pb 0.25088161386414 0.08021610107878 0.82406591808367 207.200 > 55 59 Pb 0.58421494719747 0.08021610107878 0.82406591808367 207.200 > 55 60 Pb 0.91754828053081 0.08021610107878 0.82406591808367 207.200 > 55 61 Pb 0.08245171946919 0.91978389892122 0.17593408191633 207.200 > 61 62 Pb 0.41578505280253 0.91978389892122 0.17593408191633 207.200 > 61 63 Pb 0.74911838613586 0.91978389892122 0.17593408191633 207.200 > 61 64 Pb 0.08245171946919 0.91978389892122 0.67593408191633 207.200 > 61 65 Pb 0.41578505280253 0.91978389892122 0.67593408191633 207.200 > 61 66 Pb 0.74911838613586 0.91978389892122 0.67593408191633 207.200 > 61 67 Pb 0.08245171946919 0.58021610107878 0.42593408191633 207.200 > 67 68 Pb 0.41578505280253 0.58021610107878 0.42593408191633 207.200 > 67 69 Pb 0.74911838613586 0.58021610107878 0.42593408191633 207.200 > 67 70 Pb 0.08245171946919 0.58021610107878 0.92593408191633 207.200 > 67 71 Pb 0.41578505280253 0.58021610107878 0.92593408191633 207.200 > 67 72 Pb 0.74911838613586 0.58021610107878 0.92593408191633 207.200 > 67 73 S 0.08540080326384 0.43325828848186 0.07400552117604 32.065 > 73 74 S 0.41873413659717 0.43325828848186 0.07400552117604 32.065 > 73 75 S 0.75206746993050 0.43325828848186 0.07400552117604 32.065 > 73 76 S 0.08540080326384 0.43325828848186 0.57400552117604 32.065 > 73 77 S 0.41873413659717 0.43325828848186 0.57400552117604 32.065 > 73 78 S 0.75206746993050 0.43325828848186 0.57400552117604 32.065 > 73 79 S 0.04815273923355 0.37588673768261 0.31409418071858 32.065 > 79 80 S 0.38148607256688 0.37588673768261 0.31409418071858 32.065 > 79 81 S 0.71481940590022 0.37588673768261 0.31409418071858 32.065 > 79 82 S 0.04815273923355 0.37588673768261 0.81409418071858 32.065 > 79 83 S 0.38148607256688 0.37588673768261 0.81409418071858 32.065 > 79 84 S 0.71481940590022 0.37588673768261 0.81409418071858 32.065 > 79 85 S 0.08540080326384 0.06674171151814 0.32400552117604 32.065 > 85 86 S 0.41873413659717 0.06674171151814 0.32400552117604 32.065 > 85 87 S 0.75206746993050 0.06674171151814 0.32400552117604 32.065 > 85 88 S 0.08540080326384 0.06674171151814 0.82400552117604 32.065 > 85 89 S 0.41873413659717 0.06674171151814 0.82400552117604 32.065 > 85 90 S 0.75206746993050 0.06674171151814 0.82400552117604 32.065 > 85 91 S 0.24793253006950 0.56674171151814 0.42599447882396 32.065 > 91 92 S 0.58126586340283 0.56674171151814 0.42599447882396 32.065 > 91 93 S 0.91459919673616 0.56674171151814 0.42599447882396 32.065 > 91 94 S 0.24793253006950 0.56674171151814 0.92599447882396 32.065 > 91 95 S 0.58126586340283 0.56674171151814 0.92599447882396 32.065 > 91 96 S 0.91459919673616 0.56674171151814 0.92599447882396 32.065 > 91 97 S 0.04815273923355 0.12411326231739 0.06409418071858 32.065 > 97 98 S 0.38148607256688 0.12411326231739 0.06409418071858 32.065 > 97 99 S 0.71481940590022 0.12411326231739 0.06409418071858 32.065 > 97 100 S 0.04815273923355 0.12411326231739 0.56409418071858 32.065 > 97 101 S 0.38148607256688 0.12411326231739 0.56409418071858 32.065 > 97 102 S 0.71481940590022 0.12411326231739 0.56409418071858 32.065 > 97 103 S 0.28518059409978 0.62411326231739 0.18590581928142 32.065 > 103 104 S 0.61851392743312 0.62411326231739 0.18590581928142 32.065 > 103 105 S 0.95184726076645 0.62411326231739 0.18590581928142 32.065 > 103 106 S 0.28518059409978 0.62411326231739 0.68590581928142 32.065 > 103 107 S 0.61851392743312 0.62411326231739 0.68590581928142 32.065 > 103 108 S 0.95184726076645 0.62411326231739 0.68590581928142 32.065 > 103 109 S 0.24793253006950 0.93325828848186 0.17599447882396 32.065 > 109 110 S 0.58126586340283 0.93325828848186 0.17599447882396 32.065 > 109 111 S 0.91459919673616 0.93325828848186 0.17599447882396 32.065 > 109 112 S 0.24793253006950 0.93325828848186 0.67599447882396 32.065 > 109 113 S 0.58126586340283 0.93325828848186 0.67599447882396 32.065 > 109 114 S 0.91459919673616 0.93325828848186 0.67599447882396 32.065 > 109 115 S 0.11080384562303 0.72282722619589 0.06776752994719 32.065 > 115 116 S 0.44413717895637 0.72282722619589 0.06776752994719 32.065 > 115 117 S 0.77747051228970 0.72282722619589 0.06776752994719 32.065 > 115 118 S 0.11080384562303 0.72282722619589 0.56776752994719 32.065 > 115 119 S 0.44413717895637 0.72282722619589 0.56776752994719 32.065 > 115 120 S 0.77747051228970 0.72282722619589 0.56776752994719 32.065 > 115 121 S 0.11080384562303 0.77717277380411 0.31776752994719 32.065 > 121 122 S 0.44413717895637 0.77717277380411 0.31776752994719 32.065 > 121 123 S 0.77747051228970 0.77717277380411 0.31776752994719 32.065 > 121 124 S 0.11080384562303 0.77717277380411 0.81776752994719 32.065 > 121 125 S 0.44413717895637 0.77717277380411 0.81776752994719 32.065 > 121 126 S 0.77747051228970 0.77717277380411 0.81776752994719 32.065 > 121 127 S 0.22252948771030 0.22282722619589 0.18223247005281 32.065 > 127 128 S 0.55586282104363 0.22282722619589 0.18223247005281 32.065 > 127 129 S 0.88919615437697 0.22282722619589 0.18223247005281 32.065 > 127 130 S 0.22252948771030 0.22282722619589 0.68223247005281 32.065 > 127 131 S 0.55586282104363 0.22282722619589 0.68223247005281 32.065 > 127 132 S 0.88919615437697 0.22282722619589 0.68223247005281 32.065 > 127 133 S 0.28518059409978 0.87588673768261 0.43590581928142 32.065 > 133 134 S 0.61851392743312 0.87588673768261 0.43590581928142 32.065 > 133 135 S 0.95184726076645 0.87588673768261 0.43590581928142 32.065 > 133 136 S 0.28518059409978 0.87588673768261 0.93590581928142 32.065 > 133 137 S 0.61851392743312 0.87588673768261 0.93590581928142 32.065 > 133 138 S 0.95184726076645 0.87588673768261 0.93590581928142 32.065 > 133 139 S 0.22252948771030 0.27717277380411 0.43223247005281 32.065 > 139 140 S 0.55586282104363 0.27717277380411 0.43223247005281 32.065 > 139 141 S 0.88919615437697 0.27717277380411 0.43223247005281 32.065 > 139 142 S 0.22252948771030 0.27717277380411 0.93223247005281 32.065 > 139 143 S 0.55586282104363 0.27717277380411 0.93223247005281 32.065 > 139 144 S 0.88919615437697 0.27717277380411 0.93223247005281 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.3853471 0.0000000 -0.9022307 0.0000000 14.5430666 0.0000000 -0.9022330 0.0000000 14.4086417 -------------------------- Born effective charges -------------------------- 1 Ag 1.1339942 -0.2565925 -0.1928024 -0.2090777 1.4295070 -0.0278151 -0.2120573 0.1416382 1.0835697 2 Ag 1.1339942 -0.2565925 -0.1928024 -0.2090777 1.4295070 -0.0278151 -0.2120573 0.1416382 1.0835697 3 Ag 1.1339942 0.2565925 -0.1928024 0.2090777 1.4295070 0.0278151 -0.2120573 -0.1416382 1.0835697 4 Ag 1.1339942 0.2565925 -0.1928024 0.2090777 1.4295070 0.0278151 -0.2120573 -0.1416382 1.0835697 5 Sb 2.5570736 -0.2442600 -0.9385721 -0.8232816 3.4700024 0.0689184 -0.6667386 -0.0287816 3.4446102 6 Sb 2.5570736 0.2442600 -0.9385721 0.8232816 3.4700024 -0.0689184 -0.6667386 0.0287816 3.4446102 7 Sb 2.5570736 -0.2442600 -0.9385721 -0.8232816 3.4700024 0.0689184 -0.6667386 -0.0287816 3.4446102 8 Sb 2.5570736 0.2442600 -0.9385721 0.8232816 3.4700024 -0.0689184 -0.6667386 0.0287816 3.4446102 9 Pb 3.9709678 0.3963794 0.1800311 0.5956936 3.9424047 -0.0923793 0.2539776 0.0373304 4.1109086 10 Pb 3.9709678 -0.3963794 0.1800311 -0.5956936 3.9424047 0.0923793 0.2539776 -0.0373304 4.1109086 11 Pb 3.9709678 -0.3963794 0.1800311 -0.5956936 3.9424047 0.0923793 0.2539776 -0.0373304 4.1109086 12 Pb 3.9709678 0.3963794 0.1800311 0.5956936 3.9424047 -0.0923793 0.2539776 0.0373304 4.1109086 13 S -2.2029554 0.3208628 0.4927765 -0.1773344 -2.6438634 -0.0235937 0.0680755 -0.0424662 -2.8327883 14 S -3.5057087 -0.1610811 -0.1468464 -0.4002375 -2.2408138 0.0328263 0.4138456 -0.2013688 -1.7793140 15 S -2.2029554 -0.3208628 0.4927765 0.1773344 -2.6438634 0.0235937 0.0680755 0.0424662 -2.8327883 16 S -2.2029554 0.3208628 0.4927765 -0.1773344 -2.6438634 -0.0235937 0.0680755 -0.0424662 -2.8327883 17 S -3.5057087 0.1610811 -0.1468464 0.4002375 -2.2408138 -0.0328263 0.4138456 0.2013688 -1.7793140 18 S -3.5057087 -0.1610811 -0.1468464 -0.4002375 -2.2408138 0.0328263 0.4138456 -0.2013688 -1.7793140 19 S -2.2029554 -0.3208628 0.4927765 0.1773344 -2.6438634 0.0235937 0.0680755 0.0424662 -2.8327883 20 S -1.9533715 -0.7292123 0.6054133 -0.1862559 -3.9572368 0.1765945 0.1428971 -0.0026851 -4.0269864 21 S -1.9533715 0.7292123 0.6054133 0.1862559 -3.9572368 -0.1765945 0.1428971 0.0026851 -4.0269864 22 S -1.9533715 0.7292123 0.6054133 0.1862559 -3.9572368 -0.1765945 0.1428971 0.0026851 -4.0269864 23 S -3.5057087 0.1610811 -0.1468464 0.4002375 -2.2408138 -0.0328263 0.4138456 0.2013688 -1.7793140 24 S -1.9533715 -0.7292123 0.6054133 -0.1862559 -3.9572368 0.1765945 0.1428971 -0.0026851 -4.0269864 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 287, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 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 0.552 ( 0.000 0.000 0.000) 0.000 0.686 ( 0.000 0.000 0.000) 0.000 0.818 ( 0.000 0.000 0.000) 0.000 0.951 ( 0.000 0.000 0.000) 0.000 1.057 ( 0.000 0.000 0.000) 0.000 1.159 ( 0.000 0.000 0.000) 0.000 1.163 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.267 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.595 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.234 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 6.072 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 7.063 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.754 ( 0.000 0.000 0.000) 0.000 7.775 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.888 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.213 ( 0.000 0.000 0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.314 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.240 ( 12.857 0.000 -10.413) 16.545 0.240 ( 13.158 0.000 -2.507) 13.395 0.549 ( 25.220 0.000 -5.381) 25.787 0.838 ( 20.150 0.000 -0.444) 20.155 0.883 ( 7.414 0.000 1.437) 7.552 1.011 ( 7.669 0.000 4.688) 8.988 1.034 ( 8.773 0.000 1.241) 8.861 1.082 ( 7.698 0.000 1.457) 7.835 1.165 ( 1.200 0.000 0.437) 1.277 1.175 ( 1.204 0.000 -0.175) 1.217 1.284 ( 1.579 0.000 -1.015) 1.877 1.308 ( 3.632 0.000 -0.680) 3.695 1.335 ( 4.215 0.000 -0.684) 4.270 1.372 ( 7.816 0.000 0.272) 7.821 1.448 ( -0.841 0.000 -0.069) 0.844 1.475 ( -1.014 0.000 -1.198) 1.569 1.493 ( 0.485 0.000 1.780) 1.845 1.559 ( 1.959 0.000 -0.734) 2.092 1.630 ( 0.767 0.000 1.975) 2.119 1.630 ( -0.175 0.000 -2.766) 2.772 1.697 ( 4.290 0.000 1.580) 4.572 1.704 ( 2.096 0.000 -4.165) 4.663 1.787 ( 0.292 0.000 1.501) 1.529 1.857 ( -0.956 0.000 -3.000) 3.149 2.030 ( -2.038 0.000 1.926) 2.804 2.176 ( -1.812 0.000 0.327) 1.842 2.318 ( -1.390 0.000 -2.004) 2.439 2.482 ( 4.774 0.000 0.262) 4.781 2.570 ( 2.450 0.000 0.722) 2.554 2.642 ( 3.848 0.000 -1.649) 4.186 2.724 ( 6.018 0.000 -0.104) 6.019 2.801 ( 1.125 0.000 3.937) 4.095 2.829 ( 4.563 0.000 -0.979) 4.667 2.834 ( 2.039 0.000 4.340) 4.795 3.137 ( 2.778 0.000 -0.306) 2.795 3.265 ( 1.685 0.000 -0.485) 1.754 4.060 ( 28.092 0.000 -0.093) 28.092 4.127 ( 40.531 0.000 -1.793) 40.571 4.279 ( 18.013 0.000 0.685) 18.026 4.306 ( 0.391 0.000 2.111) 2.147 4.512 ( 25.946 0.000 6.339) 26.709 4.594 ( 3.836 0.000 -7.798) 8.691 4.986 ( 6.851 0.000 1.612) 7.038 5.132 ( -9.138 0.000 -1.373) 9.240 5.420 ( -7.083 0.000 -6.783) 9.808 5.455 ( 2.370 0.000 -35.948) 36.026 5.483 ( 2.939 0.000 10.844) 11.235 5.671 ( -4.037 0.000 1.754) 4.402 5.723 ( 6.796 0.000 9.558) 11.728 5.855 ( 1.123 0.000 -1.221) 1.659 5.959 ( 5.076 0.000 2.615) 5.710 5.992 ( 0.883 0.000 4.636) 4.719 6.092 ( 1.865 0.000 -4.285) 4.673 6.138 ( 1.732 0.000 13.920) 14.027 6.240 ( 4.666 0.000 4.094) 6.207 6.463 ( -0.041 0.000 -2.437) 2.438 7.073 ( -1.936 0.000 -1.025) 2.190 7.076 ( 1.418 0.000 -0.919) 1.689 7.095 ( 2.067 0.000 -0.706) 2.184 7.249 ( 4.093 0.000 1.697) 4.431 7.411 ( 0.591 0.000 0.074) 0.596 7.752 ( -0.016 0.000 1.136) 1.136 7.768 ( -0.722 0.000 0.744) 1.037 7.966 ( -2.615 0.000 -1.849) 3.203 8.140 ( 3.500 0.000 -13.790) 14.227 8.414 ( 0.783 0.000 -19.274) 19.290 8.563 ( -3.556 0.000 1.326) 3.795 8.813 ( -6.442 0.000 3.257) 7.219 9.145 ( 2.325 0.000 1.228) 2.630 9.307 ( 5.755 0.000 -2.353) 6.217 9.433 ( 9.785 0.000 -1.779) 9.946 9.547 ( -0.040 0.000 4.378) 4.378 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 11.424 0.000 -5.615) 12.729 0.491 ( 13.002 0.000 -1.120) 13.050 0.879 ( 8.900 0.000 -2.218) 9.172 0.968 ( 1.094 0.000 -1.639) 1.970 1.048 ( 1.482 0.000 -0.951) 1.761 1.051 ( 3.847 0.000 -0.723) 3.915 1.175 ( 1.838 0.000 1.219) 2.206 1.203 ( 1.669 0.000 -0.317) 1.699 1.290 ( 12.948 0.000 -0.636) 12.964 1.310 ( 1.719 0.000 0.609) 1.824 1.312 ( 3.996 0.000 -0.528) 4.031 1.388 ( -0.494 0.000 -0.330) 0.594 1.420 ( 6.945 0.000 4.675) 8.372 1.467 ( 5.339 0.000 -5.643) 7.768 1.470 ( 1.865 0.000 0.323) 1.892 1.525 ( 3.602 0.000 0.438) 3.629 1.584 ( 6.701 0.000 0.930) 6.765 1.616 ( -0.618 0.000 -0.900) 1.091 1.620 ( 6.750 0.000 -1.261) 6.867 1.703 ( 10.380 0.000 2.513) 10.680 1.757 ( 3.923 0.000 -2.435) 4.618 1.767 ( -0.552 0.000 1.602) 1.695 1.842 ( 7.587 0.000 -0.835) 7.633 1.858 ( 3.322 0.000 -1.492) 3.642 1.977 ( -3.273 0.000 2.233) 3.962 2.153 ( -0.020 0.000 -0.234) 0.235 2.301 ( -0.127 0.000 -0.635) 0.647 2.576 ( 4.615 0.000 0.322) 4.626 2.630 ( 3.685 0.000 0.177) 3.690 2.721 ( 3.892 0.000 -1.767) 4.274 2.833 ( 2.390 0.000 3.628) 4.344 2.840 ( 5.958 0.000 -0.256) 5.964 2.903 ( 5.087 0.000 0.176) 5.090 2.943 ( 7.092 0.000 -1.435) 7.235 3.205 ( 3.941 0.000 -0.961) 4.056 3.313 ( 3.320 0.000 -0.387) 3.342 4.269 ( -4.245 0.000 4.403) 6.117 4.430 ( -1.448 0.000 1.723) 2.251 4.519 ( 11.729 0.000 -0.317) 11.733 4.621 ( 3.948 0.000 -7.270) 8.273 4.777 ( -0.113 0.000 1.238) 1.243 5.024 ( 19.099 0.000 -0.785) 19.116 5.262 ( 36.506 0.000 -0.867) 36.517 5.354 ( 25.076 0.000 -3.879) 25.374 5.373 ( 11.358 0.000 -4.659) 12.277 5.452 ( -0.484 0.000 -9.701) 9.714 5.640 ( 7.016 0.000 1.840) 7.253 5.737 ( 20.497 0.000 4.811) 21.054 5.855 ( 7.356 0.000 9.128) 11.724 5.894 ( 4.854 0.000 2.196) 5.327 6.007 ( 1.191 0.000 1.357) 1.806 6.082 ( 7.160 0.000 2.828) 7.698 6.128 ( 2.896 0.000 -5.053) 5.825 6.205 ( 4.314 0.000 3.823) 5.764 6.324 ( 4.110 0.000 0.615) 4.156 6.451 ( -1.316 0.000 -4.368) 4.562 7.054 ( 0.471 0.000 -0.354) 0.589 7.111 ( 2.149 0.000 -1.342) 2.533 7.153 ( 4.208 0.000 -1.008) 4.327 7.339 ( 5.244 0.000 1.027) 5.344 7.425 ( 0.775 0.000 0.051) 0.776 7.753 ( -0.831 0.000 1.581) 1.786 7.765 ( 1.502 0.000 0.935) 1.769 7.923 ( -1.945 0.000 4.051) 4.494 8.192 ( 2.551 0.000 -10.880) 11.175 8.416 ( 0.087 0.000 -11.610) 11.610 8.491 ( -3.654 0.000 0.864) 3.755 8.694 ( -5.755 0.000 3.684) 6.833 9.210 ( 4.367 0.000 1.338) 4.567 9.445 ( 8.177 0.000 -2.470) 8.542 9.548 ( -0.066 0.000 1.943) 1.944 9.628 ( 10.234 0.000 -1.442) 10.335 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 8.776 0.000 -2.248) 9.059 0.717 ( 10.543 0.000 0.008) 10.543 0.945 ( -0.933 0.000 1.603) 1.855 0.966 ( 0.689 0.000 -2.408) 2.505 1.066 ( 0.366 0.000 -1.279) 1.330 1.070 ( -1.196 0.000 -0.568) 1.324 1.207 ( 1.201 0.000 0.238) 1.225 1.231 ( 1.120 0.000 -0.532) 1.240 1.299 ( -2.769 0.000 -1.179) 3.009 1.301 ( -1.624 0.000 0.372) 1.666 1.354 ( -1.321 0.000 -0.045) 1.322 1.454 ( -0.562 0.000 -2.807) 2.863 1.484 ( 2.562 0.000 3.874) 4.644 1.489 ( 4.218 0.000 2.313) 4.811 1.557 ( 1.674 0.000 -5.624) 5.868 1.567 ( 0.207 0.000 0.419) 0.467 1.632 ( 2.379 0.000 0.973) 2.571 1.663 ( 2.726 0.000 0.605) 2.793 1.737 ( -1.390 0.000 -1.185) 1.827 1.743 ( 3.168 0.000 -1.427) 3.475 1.898 ( -3.082 0.000 0.475) 3.119 1.903 ( 11.218 0.000 -0.263) 11.221 1.918 ( 2.060 0.000 0.408) 2.100 1.953 ( 10.959 0.000 1.652) 11.083 2.057 ( 10.093 0.000 0.515) 10.106 2.197 ( 4.711 0.000 -0.733) 4.768 2.333 ( 4.241 0.000 -0.960) 4.349 2.647 ( 2.738 0.000 0.229) 2.748 2.701 ( 3.437 0.000 -0.265) 3.448 2.782 ( 2.920 0.000 -0.464) 2.957 2.887 ( 2.669 0.000 0.911) 2.820 2.942 ( 4.618 0.000 -0.360) 4.632 3.017 ( 6.236 0.000 0.509) 6.257 3.075 ( 6.362 0.000 -1.193) 6.473 3.270 ( 2.703 0.000 -0.893) 2.847 3.385 ( 4.020 0.000 -0.206) 4.026 4.178 ( -4.739 0.000 1.817) 5.076 4.334 ( -6.378 0.000 1.934) 6.665 4.543 ( -4.781 0.000 -0.190) 4.785 4.553 ( -10.672 0.000 0.462) 10.682 4.754 ( 5.409 0.000 -5.269) 7.551 5.070 ( -4.385 0.000 -0.719) 4.443 5.410 ( -2.646 0.000 -0.396) 2.676 5.554 ( 2.428 0.000 -6.114) 6.578 5.783 ( 14.962 0.000 3.707) 15.414 5.868 ( 3.544 0.000 -4.660) 5.854 5.885 ( 20.769 0.000 -0.785) 20.784 6.000 ( 10.379 0.000 7.892) 13.039 6.022 ( 5.844 0.000 2.443) 6.334 6.052 ( 13.235 0.000 3.309) 13.642 6.136 ( 2.087 0.000 -2.452) 3.220 6.228 ( 9.367 0.000 4.463) 10.376 6.358 ( 16.516 0.000 -5.062) 17.274 6.395 ( 7.659 0.000 -4.321) 8.794 6.413 ( 1.590 0.000 0.301) 1.619 6.459 ( 25.421 0.000 1.809) 25.485 7.099 ( 4.168 0.000 0.184) 4.173 7.152 ( 2.286 0.000 -1.381) 2.671 7.256 ( 6.527 0.000 -0.802) 6.576 7.420 ( -0.179 0.000 1.300) 1.313 7.461 ( 6.290 0.000 -1.623) 6.496 7.745 ( -0.143 0.000 2.208) 2.212 7.807 ( 2.626 0.000 -0.739) 2.728 7.896 ( -1.139 0.000 4.870) 5.001 8.226 ( 1.642 0.000 -6.509) 6.713 8.402 ( -0.952 0.000 -7.223) 7.286 8.435 ( -2.212 0.000 0.143) 2.216 8.610 ( -3.262 0.000 2.721) 4.248 9.300 ( 4.586 0.000 0.734) 4.645 9.547 ( -0.186 0.000 0.857) 0.877 9.589 ( 6.551 0.000 -1.595) 6.742 9.798 ( 7.383 0.000 -0.741) 7.420 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 5.242 0.000 -0.670) 5.284 0.880 ( 6.238 0.000 0.339) 6.248 0.902 ( -2.880 0.000 0.818) 2.994 0.979 ( 0.365 0.000 -0.734) 0.820 1.020 ( -3.396 0.000 -0.116) 3.398 1.071 ( 0.286 0.000 -0.495) 0.572 1.220 ( 0.325 0.000 -0.081) 0.335 1.235 ( -0.409 0.000 0.130) 0.429 1.248 ( -1.896 0.000 -0.385) 1.934 1.276 ( -0.537 0.000 -0.436) 0.692 1.331 ( -0.842 0.000 -0.193) 0.864 1.434 ( -0.438 0.000 -0.810) 0.920 1.522 ( 1.078 0.000 2.244) 2.489 1.529 ( 0.374 0.000 1.213) 1.269 1.566 ( -0.206 0.000 0.432) 0.479 1.568 ( 0.169 0.000 -2.529) 2.535 1.683 ( 2.228 0.000 0.103) 2.231 1.701 ( 1.214 0.000 0.311) 1.253 1.729 ( 0.377 0.000 -1.498) 1.545 1.765 ( 0.102 0.000 -1.099) 1.103 1.840 ( -2.411 0.000 1.476) 2.827 1.931 ( -0.070 0.000 -0.517) 0.522 2.037 ( 2.627 0.000 -0.789) 2.743 2.089 ( 3.631 0.000 1.518) 3.936 2.197 ( 3.954 0.000 0.136) 3.956 2.282 ( 2.885 0.000 -0.240) 2.895 2.441 ( 4.878 0.000 -0.809) 4.944 2.676 ( 0.391 0.000 0.303) 0.494 2.749 ( 1.396 0.000 -0.148) 1.404 2.828 ( 1.592 0.000 0.012) 1.592 2.922 ( 0.919 0.000 0.012) 0.919 3.005 ( 1.836 0.000 -0.179) 1.845 3.109 ( 2.811 0.000 0.198) 2.818 3.163 ( 2.552 0.000 -0.463) 2.594 3.304 ( 0.910 0.000 -0.307) 0.960 3.446 ( 1.948 0.000 -0.074) 1.949 4.114 ( -1.771 0.000 0.186) 1.780 4.238 ( -2.960 0.000 0.702) 3.042 4.393 ( -4.953 0.000 0.505) 4.979 4.453 ( -3.097 0.000 0.104) 3.098 4.858 ( 4.843 0.000 -3.302) 5.862 4.983 ( -4.209 0.000 1.187) 4.373 5.370 ( -1.223 0.000 -0.073) 1.226 5.575 ( 0.419 0.000 -1.622) 1.675 5.899 ( 0.718 0.000 -1.010) 1.239 5.937 ( 3.618 0.000 3.507) 5.039 6.025 ( 0.287 0.000 0.065) 0.294 6.039 ( 1.178 0.000 -1.722) 2.086 6.150 ( 2.038 0.000 2.706) 3.387 6.169 ( 2.873 0.000 1.856) 3.421 6.302 ( 5.983 0.000 -0.324) 5.992 6.327 ( 1.845 0.000 1.397) 2.314 6.334 ( -1.675 0.000 -4.037) 4.371 6.519 ( 4.932 0.000 -1.473) 5.147 6.719 ( 10.472 0.000 0.238) 10.475 6.871 ( 11.555 0.000 0.639) 11.573 7.186 ( 3.757 0.000 0.047) 3.757 7.198 ( 2.334 0.000 -0.806) 2.469 7.368 ( 3.904 0.000 -0.305) 3.916 7.387 ( -2.228 0.000 0.741) 2.348 7.605 ( 7.409 0.000 -2.150) 7.714 7.730 ( -2.210 0.000 2.216) 3.130 7.850 ( 1.672 0.000 -2.515) 3.020 7.882 ( -0.757 0.000 4.128) 4.197 8.247 ( 0.701 0.000 -2.135) 2.247 8.380 ( -0.760 0.000 -2.526) 2.638 8.408 ( -0.678 0.000 -0.034) 0.678 8.572 ( -0.954 0.000 0.986) 1.372 9.367 ( 2.037 0.000 0.223) 2.049 9.543 ( -0.157 0.000 0.206) 0.259 9.676 ( 2.470 0.000 -0.534) 2.527 9.895 ( 2.677 0.000 -0.208) 2.685 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.221 ( 0.000 10.262 0.000) 10.262 0.358 ( 0.000 17.593 0.000) 17.593 0.497 ( 0.000 6.190 0.000) 6.190 0.531 ( 0.000 11.183 0.000) 11.183 0.696 ( 0.000 1.122 0.000) 1.122 0.834 ( 0.000 1.873 0.000) 1.873 0.988 ( 0.000 1.699 0.000) 1.699 1.002 ( 0.000 -12.214 0.000) 12.214 1.081 ( 0.000 2.699 0.000) 2.699 1.107 ( 0.000 -1.526 0.000) 1.526 1.254 ( 0.000 -2.836 0.000) 2.836 1.298 ( 0.000 1.397 0.000) 1.397 1.334 ( 0.000 2.929 0.000) 2.929 1.360 ( 0.000 4.097 0.000) 4.097 1.478 ( 0.000 1.487 0.000) 1.487 1.497 ( 0.000 0.828 0.000) 0.828 1.514 ( 0.000 -2.718 0.000) 2.718 1.524 ( 0.000 -3.448 0.000) 3.448 1.620 ( 0.000 1.930 0.000) 1.930 1.635 ( 0.000 -1.303 0.000) 1.303 1.675 ( 0.000 1.247 0.000) 1.247 1.753 ( 0.000 -2.965 0.000) 2.965 1.758 ( 0.000 -5.280 0.000) 5.280 1.784 ( 0.000 -3.803 0.000) 3.803 2.065 ( 0.000 0.877 0.000) 0.877 2.147 ( 0.000 -2.911 0.000) 2.911 2.340 ( 0.000 5.969 0.000) 5.969 2.417 ( 0.000 -0.343 0.000) 0.343 2.527 ( 0.000 -4.935 0.000) 4.935 2.533 ( 0.000 -0.845 0.000) 0.845 2.625 ( 0.000 -4.524 0.000) 4.524 2.626 ( 0.000 -3.867 0.000) 3.867 2.868 ( 0.000 5.303 0.000) 5.303 2.924 ( 0.000 5.751 0.000) 5.751 3.119 ( 0.000 1.211 0.000) 1.211 3.231 ( 0.000 -1.852 0.000) 1.852 3.642 ( 0.000 0.392 0.000) 0.392 3.685 ( 0.000 -1.340 0.000) 1.340 4.083 ( 0.000 2.927 0.000) 2.927 4.185 ( 0.000 -1.126 0.000) 1.126 4.654 ( 0.000 5.720 0.000) 5.720 4.813 ( 0.000 -2.107 0.000) 2.107 5.003 ( 0.000 -2.558 0.000) 2.558 5.017 ( 0.000 2.962 0.000) 2.962 5.244 ( 0.000 -6.665 0.000) 6.665 5.299 ( 0.000 -6.660 0.000) 6.660 5.728 ( 0.000 6.490 0.000) 6.490 5.737 ( 0.000 0.072 0.000) 0.072 5.776 ( 0.000 -1.441 0.000) 1.441 5.812 ( 0.000 1.665 0.000) 1.665 5.875 ( 0.000 3.025 0.000) 3.025 6.020 ( 0.000 4.096 0.000) 4.096 6.080 ( 0.000 1.939 0.000) 1.939 6.108 ( 0.000 5.665 0.000) 5.665 6.140 ( 0.000 -0.791 0.000) 0.791 6.650 ( 0.000 -2.581 0.000) 2.581 6.906 ( 0.000 -9.662 0.000) 9.662 6.979 ( 0.000 -5.544 0.000) 5.544 7.187 ( 0.000 4.407 0.000) 4.407 7.289 ( 0.000 0.411 0.000) 0.411 7.775 ( 0.000 0.377 0.000) 0.377 7.779 ( 0.000 1.633 0.000) 1.633 7.827 ( 0.000 1.688 0.000) 1.688 7.917 ( 0.000 -2.992 0.000) 2.992 8.128 ( 0.000 2.339 0.000) 2.339 8.201 ( 0.000 -1.013 0.000) 1.013 8.714 ( 0.000 2.600 0.000) 2.600 8.857 ( 0.000 -2.910 0.000) 2.910 9.135 ( 0.000 1.117 0.000) 1.117 9.194 ( 0.000 -1.415 0.000) 1.415 9.284 ( 0.000 2.030 0.000) 2.030 9.362 ( 0.000 -1.269 0.000) 1.269 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 8.575 7.638 -0.620) 11.500 0.423 ( 6.480 14.187 -3.515) 15.988 0.658 ( 10.289 -2.437 -1.379) 10.663 0.757 ( 15.638 6.570 -1.379) 17.018 0.920 ( 13.834 2.566 -0.107) 14.070 0.979 ( 14.029 -3.841 -0.963) 14.577 1.020 ( 4.929 -9.029 4.767) 11.338 1.051 ( 6.754 -0.938 0.845) 6.871 1.082 ( 2.010 2.604 -3.269) 4.637 1.149 ( 4.360 1.498 0.098) 4.611 1.309 ( 5.600 -2.369 -0.810) 6.135 1.331 ( 3.082 1.567 -2.053) 4.021 1.339 ( 1.219 2.897 1.982) 3.716 1.391 ( 4.178 2.965 -1.917) 5.470 1.464 ( -0.453 -0.388 0.945) 1.117 1.489 ( -0.150 -0.446 -0.042) 0.472 1.519 ( 0.092 -0.205 -5.147) 5.152 1.554 ( 2.482 -1.655 2.809) 4.097 1.618 ( 0.025 2.278 1.092) 2.526 1.648 ( 2.256 -1.095 0.382) 2.537 1.672 ( 0.122 1.449 -0.999) 1.764 1.747 ( 1.224 -0.557 1.313) 1.879 1.782 ( 1.127 -2.591 0.282) 2.840 1.794 ( 1.408 -4.467 -2.272) 5.205 2.037 ( -2.604 0.907 1.110) 2.972 2.131 ( -1.885 -3.323 0.117) 3.822 2.352 ( 0.260 3.780 0.075) 3.790 2.463 ( 4.063 -1.044 0.607) 4.239 2.554 ( 3.308 -2.539 0.057) 4.170 2.580 ( 3.956 -2.831 0.897) 4.947 2.660 ( 3.869 -4.764 -0.897) 6.202 2.674 ( 3.037 -4.520 0.959) 5.529 2.901 ( 3.455 6.300 -0.504) 7.203 2.970 ( 4.350 4.969 -0.030) 6.604 3.142 ( 2.367 0.894 -0.210) 2.539 3.247 ( 1.680 -1.859 -0.464) 2.548 4.025 ( 33.216 -0.300 -0.182) 33.218 4.088 ( 36.171 -2.744 -0.949) 36.288 4.339 ( 22.929 4.792 -0.484) 23.430 4.458 ( 19.062 1.779 -0.152) 19.145 4.626 ( -0.211 5.289 -4.586) 7.004 4.688 ( -0.568 10.059 2.524) 10.387 4.988 ( 5.286 -0.677 0.226) 5.334 5.040 ( -5.000 -6.839 -1.722) 8.645 5.251 ( 4.018 -8.316 -10.412) 13.918 5.295 ( -1.029 -5.312 2.816) 6.099 5.611 ( -1.414 5.005 2.840) 5.926 5.730 ( -3.662 1.164 1.527) 4.135 5.791 ( 0.246 3.488 -5.825) 6.794 5.908 ( 3.063 -2.020 3.959) 5.398 5.917 ( 5.277 2.825 1.653) 6.209 6.007 ( -1.520 4.315 2.003) 4.994 6.077 ( 2.074 -3.176 5.784) 6.917 6.115 ( 1.747 0.196 -0.653) 1.876 6.251 ( 7.342 4.070 -0.154) 8.396 6.575 ( -5.064 1.267 -0.771) 5.277 6.922 ( 1.730 -7.695 0.634) 7.912 7.000 ( 2.043 -5.782 -0.252) 6.138 7.190 ( 0.507 5.143 -1.353) 5.342 7.322 ( 3.159 0.463 0.178) 3.198 7.550 ( -9.616 9.472 7.101) 15.251 7.739 ( -2.935 -0.989 2.686) 4.100 7.821 ( 0.084 3.526 1.211) 3.729 7.933 ( -1.298 -2.653 -1.371) 3.256 8.166 ( 3.446 2.402 -12.577) 13.260 8.315 ( 5.202 -5.575 -11.954) 14.179 8.631 ( -5.507 4.217 -0.662) 6.967 8.788 ( -6.152 -2.584 2.919) 7.283 9.157 ( 2.434 1.157 1.406) 3.040 9.259 ( 5.208 -4.112 0.703) 6.673 9.407 ( 9.729 -0.042 -0.652) 9.751 9.480 ( 8.011 -2.614 -0.514) 8.442 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 8.703 4.409 -7.788) 12.483 0.585 ( 9.822 8.441 1.823) 13.078 0.795 ( 4.292 -9.669 -0.877) 10.615 0.924 ( 3.515 1.585 0.227) 3.862 1.023 ( 0.306 -1.582 2.026) 2.589 1.063 ( 3.964 -9.780 -0.388) 10.560 1.123 ( 2.918 2.201 -2.899) 4.665 1.187 ( 3.097 0.965 0.043) 3.244 1.290 ( 8.117 0.421 -0.387) 8.137 1.328 ( -0.380 0.348 -0.811) 0.961 1.355 ( 1.452 2.531 -1.060) 3.105 1.364 ( 8.683 0.680 1.827) 8.899 1.444 ( 5.307 1.623 0.918) 5.625 1.479 ( 8.137 1.501 -2.934) 8.779 1.496 ( -1.065 -1.362 -3.093) 3.543 1.529 ( 3.927 1.019 0.757) 4.127 1.549 ( 4.607 -1.964 1.377) 5.194 1.621 ( 1.275 0.654 -0.266) 1.457 1.658 ( 7.077 2.904 -0.515) 7.667 1.717 ( 8.459 0.918 1.172) 8.589 1.733 ( 5.484 -0.879 -1.109) 5.664 1.777 ( 1.275 0.581 1.239) 1.870 1.836 ( 4.237 -1.861 -1.638) 4.909 1.846 ( 6.988 -1.688 0.376) 7.199 1.982 ( -2.946 0.980 1.149) 3.310 2.101 ( -0.147 -3.864 -0.848) 3.958 2.360 ( 1.077 4.682 0.973) 4.901 2.544 ( 4.327 -2.947 0.564) 5.265 2.626 ( 4.020 -0.152 -0.413) 4.044 2.685 ( 6.115 -3.530 -0.538) 7.081 2.715 ( 2.624 -4.032 2.982) 5.660 2.759 ( 5.520 -6.169 -2.524) 8.654 2.978 ( 4.226 6.755 -0.850) 8.013 3.076 ( 6.377 5.068 -0.228) 8.148 3.202 ( 3.629 0.143 -0.781) 3.715 3.296 ( 3.509 -1.719 -0.424) 3.931 4.388 ( -7.004 7.470 0.367) 10.246 4.438 ( -0.231 1.365 2.473) 2.834 4.499 ( 5.922 -0.272 -2.557) 6.456 4.676 ( -1.918 0.596 -3.474) 4.013 4.835 ( 5.514 7.009 -0.246) 8.921 5.012 ( 21.864 -0.344 0.854) 21.884 5.222 ( 30.142 -1.895 -0.992) 30.218 5.292 ( 21.545 -3.722 -1.463) 21.913 5.373 ( 16.134 -1.239 -3.620) 16.581 5.451 ( 20.305 -4.423 -7.457) 22.078 5.672 ( 0.352 5.480 1.876) 5.803 5.725 ( 13.364 0.371 3.961) 13.944 5.831 ( 8.972 -0.531 -0.384) 8.996 5.950 ( 1.956 -1.420 0.668) 2.508 5.984 ( 2.509 1.455 1.629) 3.326 6.048 ( 5.856 -2.453 7.451) 9.789 6.122 ( 1.319 0.321 -3.160) 3.439 6.148 ( 2.060 -4.921 5.481) 7.649 6.382 ( 6.332 4.961 -0.986) 8.104 6.519 ( -0.492 3.755 -3.448) 5.122 6.970 ( 3.288 -5.090 0.704) 6.100 7.051 ( 3.387 -6.156 -0.358) 7.035 7.209 ( 1.694 5.935 -1.835) 6.439 7.396 ( 4.207 -0.670 -0.900) 4.354 7.465 ( -1.096 6.548 2.868) 7.232 7.700 ( -0.970 -3.258 2.888) 4.461 7.819 ( -0.165 2.883 1.580) 3.291 7.903 ( -1.645 -1.646 2.244) 3.233 8.218 ( 2.474 2.508 -10.800) 11.360 8.363 ( 1.176 -3.833 -9.957) 10.734 8.541 ( -3.884 3.638 -0.029) 5.322 8.674 ( -5.404 -1.988 3.368) 6.671 9.225 ( 4.483 1.512 1.434) 4.944 9.369 ( 5.651 -5.460 0.398) 7.868 9.568 ( 6.335 1.626 -0.669) 6.575 9.630 ( 8.825 -0.470 -1.637) 8.988 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 7.806 1.348 -6.879) 10.491 0.757 ( 7.231 3.958 3.191) 8.840 0.856 ( 3.081 -7.534 -1.925) 8.365 0.945 ( -0.585 -0.199 2.073) 2.163 1.010 ( -1.395 -1.185 2.381) 3.003 1.131 ( 2.701 -6.075 -1.158) 6.749 1.160 ( 1.055 -0.315 -1.715) 2.038 1.204 ( -0.446 0.776 0.207) 0.919 1.283 ( -2.749 -0.755 -1.719) 3.329 1.308 ( -2.227 -0.947 -0.255) 2.434 1.378 ( -0.051 2.718 1.588) 3.149 1.450 ( -0.329 0.244 -2.650) 2.681 1.484 ( 2.281 -0.066 -0.516) 2.340 1.508 ( 2.662 1.106 1.507) 3.253 1.550 ( -0.007 -0.572 -0.915) 1.079 1.579 ( 0.438 -0.536 0.257) 0.738 1.624 ( 3.393 0.502 0.608) 3.483 1.655 ( 1.384 -0.233 -1.158) 1.820 1.748 ( 1.339 1.521 -0.328) 2.053 1.772 ( 0.334 1.415 -0.323) 1.489 1.877 ( 3.471 -0.700 -0.243) 3.549 1.905 ( 1.896 -1.024 1.185) 2.458 1.948 ( 8.387 1.109 -0.454) 8.472 1.983 ( 8.624 4.402 0.387) 9.690 2.034 ( 9.847 -2.125 0.735) 10.100 2.164 ( 6.988 -2.674 -1.924) 7.725 2.408 ( 4.101 6.122 1.054) 7.444 2.622 ( 3.660 -2.468 0.078) 4.415 2.701 ( 3.625 0.687 -0.182) 3.694 2.754 ( 2.780 -2.256 0.157) 3.584 2.799 ( 4.199 -4.859 0.446) 6.438 2.875 ( 6.448 -7.297 -1.233) 9.815 3.049 ( 3.202 6.552 -0.769) 7.333 3.192 ( 5.375 3.937 -0.332) 6.670 3.266 ( 3.009 0.594 -0.657) 3.137 3.373 ( 4.249 -1.326 -0.265) 4.459 4.249 ( -6.426 6.010 0.186) 8.800 4.352 ( -6.377 1.802 1.695) 6.840 4.469 ( -4.889 -4.633 -2.193) 7.083 4.516 ( -10.233 -3.617 -1.055) 10.904 4.911 ( 3.806 12.130 -2.331) 12.925 5.108 ( -1.196 3.604 2.280) 4.429 5.470 ( -1.355 3.628 1.485) 4.147 5.524 ( 2.934 -2.997 -5.120) 6.619 5.665 ( 8.113 -5.700 1.113) 9.978 5.857 ( 10.526 -2.761 -1.574) 10.995 5.864 ( 12.640 -3.276 -2.166) 13.236 5.952 ( 1.671 -5.954 -2.923) 6.840 6.043 ( 14.499 1.636 3.459) 14.996 6.073 ( 5.956 2.796 4.477) 7.959 6.139 ( 6.633 1.668 0.767) 6.882 6.202 ( 8.383 -3.006 3.014) 9.402 6.307 ( 22.302 -3.097 -1.274) 22.552 6.311 ( 18.019 -1.806 -1.486) 18.170 6.506 ( 8.723 5.990 1.040) 10.632 6.574 ( 10.003 5.703 -1.155) 11.573 7.045 ( 4.576 -3.606 -0.029) 5.826 7.131 ( 4.992 -6.071 0.100) 7.860 7.256 ( 3.395 5.016 -1.975) 6.371 7.423 ( -0.929 -0.664 -0.315) 1.184 7.526 ( 6.446 4.433 -0.017) 7.823 7.706 ( 1.174 -3.341 2.739) 4.476 7.821 ( 0.273 1.221 0.745) 1.456 7.877 ( -1.282 -1.643 2.876) 3.552 8.249 ( 1.404 2.196 -6.705) 7.194 8.364 ( -0.366 -2.629 -6.385) 6.914 8.484 ( -2.088 3.462 -0.155) 4.046 8.597 ( -2.907 -1.363 2.490) 4.063 9.314 ( 4.434 1.484 0.790) 4.741 9.452 ( 2.946 -5.242 0.563) 6.039 9.671 ( 4.801 4.254 -1.092) 6.507 9.785 ( 6.930 -1.349 -0.915) 7.119 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 5.680 0.110 -4.882) 7.490 0.840 ( 1.872 -2.159 0.899) 2.996 0.903 ( -0.901 -4.893 2.068) 5.388 0.920 ( -0.677 0.899 0.755) 1.355 0.997 ( 0.644 1.310 1.629) 2.187 1.140 ( -1.078 1.444 -1.612) 2.417 1.183 ( 1.024 -5.306 0.761) 5.457 1.193 ( -0.131 -1.271 0.446) 1.353 1.237 ( -1.626 -0.906 -1.735) 2.545 1.271 ( -1.134 -1.200 -0.261) 1.671 1.367 ( -0.792 3.611 0.675) 3.758 1.432 ( -0.483 0.588 -0.994) 1.252 1.523 ( 1.273 -0.990 1.232) 2.029 1.533 ( 0.179 -0.132 -0.012) 0.223 1.542 ( -0.450 -0.162 -0.736) 0.877 1.581 ( -0.133 -0.260 0.071) 0.300 1.676 ( 1.962 -0.166 0.469) 2.024 1.685 ( 1.555 -0.276 -0.973) 1.855 1.751 ( 0.094 0.894 -1.182) 1.485 1.768 ( -1.119 0.410 1.158) 1.662 1.864 ( -0.963 1.713 0.317) 1.990 1.922 ( 0.089 -0.889 -0.405) 0.981 2.046 ( 2.164 1.001 -0.130) 2.388 2.121 ( 3.661 1.706 0.061) 4.040 2.182 ( 4.466 -0.213 0.354) 4.485 2.286 ( 3.929 -0.564 -0.651) 4.022 2.493 ( 3.380 5.233 0.371) 6.240 2.672 ( 1.352 -0.873 -0.036) 1.610 2.753 ( 1.665 1.658 0.175) 2.356 2.801 ( 1.609 -2.393 0.129) 2.886 2.850 ( 1.194 -5.034 -0.362) 5.186 2.971 ( 2.943 -7.585 -0.299) 8.141 3.093 ( 1.279 6.111 -0.333) 6.253 3.261 ( 1.717 1.045 -0.237) 2.024 3.312 ( 1.556 3.132 -0.128) 3.499 3.437 ( 1.997 -1.133 -0.100) 2.298 4.163 ( -2.389 4.440 -0.171) 5.044 4.256 ( -2.940 1.713 0.515) 3.441 4.366 ( -4.620 -2.527 -0.188) 5.270 4.384 ( -2.853 -5.401 -0.391) 6.121 4.978 ( 2.933 10.533 -2.622) 11.244 5.075 ( -1.904 7.641 2.369) 8.223 5.427 ( -1.674 5.141 0.286) 5.414 5.550 ( 0.508 -2.738 -1.606) 3.215 5.769 ( 3.643 -7.856 2.579) 9.035 5.901 ( -1.342 -13.342 -1.921) 13.546 5.941 ( -0.567 -5.515 -0.259) 5.551 5.955 ( 0.971 -3.567 -0.659) 3.755 6.130 ( 1.795 4.039 -0.208) 4.425 6.173 ( 1.115 1.474 1.686) 2.502 6.327 ( 7.319 1.947 0.606) 7.597 6.385 ( 5.115 2.517 2.571) 6.254 6.440 ( 1.176 5.427 -2.870) 6.251 6.519 ( 3.870 0.277 -1.242) 4.074 6.738 ( 9.251 2.276 0.488) 9.540 6.866 ( 10.108 -0.907 0.680) 10.171 7.139 ( 4.585 -2.447 -0.463) 5.217 7.227 ( 4.756 -2.783 0.034) 5.511 7.300 ( -1.121 1.321 -0.206) 1.745 7.412 ( 0.983 -0.490 -0.471) 1.195 7.656 ( 5.967 3.451 -1.466) 7.047 7.728 ( 0.275 -0.390 2.147) 2.199 7.823 ( -0.185 -1.671 -0.748) 1.840 7.854 ( -1.230 -2.439 2.311) 3.578 8.266 ( 0.552 1.800 -2.249) 2.934 8.352 ( -0.420 -1.810 -2.284) 2.944 8.460 ( -0.585 3.594 -0.025) 3.641 8.564 ( -0.812 -0.953 0.900) 1.542 9.378 ( 1.893 1.139 0.235) 2.222 9.485 ( 0.750 -3.945 0.193) 4.020 9.738 ( 2.007 4.402 -0.444) 4.858 9.877 ( 2.527 -1.866 -0.269) 3.153 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 0.000 -7.180 0.000) 7.180 0.399 ( 0.000 7.180 0.000) 7.180 0.684 ( 0.000 -9.844 0.000) 9.844 0.684 ( 0.000 9.844 0.000) 9.844 0.735 ( 0.000 -6.134 0.000) 6.134 0.735 ( 0.000 6.134 0.000) 6.134 0.936 ( 0.000 -5.917 0.000) 5.917 0.936 ( 0.000 5.917 0.000) 5.917 1.149 ( 0.000 -2.350 0.000) 2.350 1.149 ( 0.000 2.350 0.000) 2.350 1.265 ( 0.000 -7.395 0.000) 7.395 1.265 ( 0.000 7.395 0.000) 7.395 1.381 ( 0.000 -1.209 0.000) 1.209 1.381 ( 0.000 1.209 0.000) 1.209 1.445 ( 0.000 -1.034 0.000) 1.034 1.445 ( 0.000 1.034 0.000) 1.034 1.530 ( 0.000 -2.212 0.000) 2.212 1.530 ( 0.000 2.212 0.000) 2.212 1.597 ( 0.000 -2.404 0.000) 2.404 1.597 ( 0.000 2.404 0.000) 2.404 1.695 ( 0.000 -0.367 0.000) 0.367 1.695 ( 0.000 0.367 0.000) 0.367 1.736 ( 0.000 -2.430 0.000) 2.430 1.736 ( 0.000 2.430 0.000) 2.430 2.095 ( 0.000 -2.097 0.000) 2.097 2.095 ( 0.000 2.097 0.000) 2.097 2.423 ( 0.000 -0.067 0.000) 0.067 2.423 ( 0.000 0.067 0.000) 0.067 2.491 ( 0.000 -3.184 0.000) 3.184 2.491 ( 0.000 3.184 0.000) 3.184 2.574 ( 0.000 -0.812 0.000) 0.812 2.574 ( 0.000 0.812 0.000) 0.812 2.952 ( 0.000 -2.374 0.000) 2.374 2.952 ( 0.000 2.374 0.000) 2.374 3.175 ( 0.000 -3.580 0.000) 3.580 3.175 ( 0.000 3.580 0.000) 3.580 3.658 ( 0.000 -1.159 0.000) 1.159 3.658 ( 0.000 1.159 0.000) 1.159 4.146 ( 0.000 -2.782 0.000) 2.782 4.146 ( 0.000 2.782 0.000) 2.782 4.767 ( 0.000 -3.735 0.000) 3.735 4.767 ( 0.000 3.735 0.000) 3.735 4.993 ( 0.000 -2.808 0.000) 2.808 4.993 ( 0.000 2.808 0.000) 2.808 5.208 ( 0.000 -2.731 0.000) 2.731 5.208 ( 0.000 2.731 0.000) 2.731 5.741 ( 0.000 -0.654 0.000) 0.654 5.741 ( 0.000 0.654 0.000) 0.654 5.815 ( 0.000 -1.579 0.000) 1.579 5.815 ( 0.000 1.579 0.000) 1.579 5.956 ( 0.000 -4.665 0.000) 4.665 5.956 ( 0.000 4.665 0.000) 4.665 6.119 ( 0.000 -1.342 0.000) 1.342 6.119 ( 0.000 1.342 0.000) 1.342 6.416 ( 0.000 -17.619 0.000) 17.619 6.416 ( 0.000 17.619 0.000) 17.619 6.873 ( 0.000 -4.186 0.000) 4.186 6.873 ( 0.000 4.186 0.000) 4.186 7.262 ( 0.000 -2.780 0.000) 2.780 7.262 ( 0.000 2.780 0.000) 2.780 7.790 ( 0.000 -0.628 0.000) 0.628 7.790 ( 0.000 0.628 0.000) 0.628 7.864 ( 0.000 -2.092 0.000) 2.092 7.864 ( 0.000 2.092 0.000) 2.092 8.172 ( 0.000 -1.864 0.000) 1.864 8.172 ( 0.000 1.864 0.000) 1.864 8.784 ( 0.000 -3.969 0.000) 3.969 8.784 ( 0.000 3.969 0.000) 3.969 9.163 ( 0.000 -1.589 0.000) 1.589 9.163 ( 0.000 1.589 0.000) 1.589 9.327 ( 0.000 -2.096 0.000) 2.096 9.327 ( 0.000 2.096 0.000) 2.096 ======================= Grid point 20 (12/96) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 6.451 -7.750 1.272) 10.164 0.510 ( 6.451 7.750 1.272) 10.164 0.732 ( 3.241 -14.911 -1.103) 15.298 0.732 ( 3.241 14.911 -1.103) 15.298 0.907 ( 9.643 -4.432 1.243) 10.685 0.907 ( 9.643 4.432 1.243) 10.685 1.007 ( 11.758 -2.672 -2.278) 12.271 1.007 ( 11.758 2.672 -2.278) 12.271 1.191 ( 5.236 -3.317 1.510) 6.379 1.191 ( 5.236 3.317 1.510) 6.379 1.307 ( 4.020 -4.976 -2.305) 6.799 1.307 ( 4.020 4.976 -2.305) 6.799 1.388 ( 1.587 -2.762 2.230) 3.888 1.388 ( 1.587 2.762 2.230) 3.888 1.448 ( 0.635 -1.119 -5.024) 5.186 1.448 ( 0.635 1.119 -5.024) 5.186 1.555 ( 2.177 -2.020 -0.093) 2.972 1.555 ( 2.177 2.020 -0.093) 2.972 1.615 ( 2.165 -0.573 1.314) 2.597 1.615 ( 2.165 0.573 1.314) 2.597 1.704 ( 1.183 -0.961 -0.115) 1.529 1.704 ( 1.183 0.961 -0.115) 1.529 1.749 ( 1.366 -1.616 0.633) 2.209 1.749 ( 1.366 1.616 0.633) 2.209 2.072 ( -2.381 -2.422 0.119) 3.398 2.072 ( -2.381 2.422 0.119) 3.398 2.427 ( 0.685 -2.898 2.339) 3.786 2.427 ( 0.685 2.898 2.339) 3.786 2.540 ( 4.525 -2.503 -1.738) 5.456 2.540 ( 4.525 2.503 -1.738) 5.456 2.614 ( 3.286 -1.269 0.067) 3.523 2.614 ( 3.286 1.269 0.067) 3.523 2.994 ( 4.116 -2.430 -0.407) 4.798 2.994 ( 4.116 2.430 -0.407) 4.798 3.191 ( 1.761 -3.375 -0.322) 3.821 3.191 ( 1.761 3.375 -0.322) 3.821 4.041 ( 34.115 -1.683 -0.302) 34.158 4.041 ( 34.115 1.683 -0.302) 34.158 4.431 ( 26.121 -3.589 -1.307) 26.399 4.431 ( 26.121 3.589 -1.307) 26.399 4.747 ( -2.722 -4.623 -2.082) 5.755 4.747 ( -2.722 4.623 -2.082) 5.755 4.955 ( 0.660 -1.491 -2.034) 2.607 4.955 ( 0.660 1.491 -2.034) 2.607 5.214 ( 1.000 -2.595 2.128) 3.502 5.214 ( 1.000 2.595 2.128) 3.502 5.691 ( -2.139 -3.272 -0.661) 3.965 5.691 ( -2.139 3.272 -0.661) 3.965 5.853 ( 1.693 -2.282 -5.250) 5.970 5.853 ( 1.693 2.282 -5.250) 5.970 5.987 ( 2.659 -3.474 9.701) 10.642 5.987 ( 2.659 3.474 9.701) 10.642 6.109 ( -1.378 -2.055 -0.770) 2.591 6.109 ( -1.378 2.055 -0.770) 2.591 6.430 ( 2.106 -12.349 -0.798) 12.553 6.430 ( 2.106 12.349 -0.798) 12.553 6.894 ( 2.063 -3.984 0.330) 4.498 6.894 ( 2.063 3.984 0.330) 4.498 7.281 ( 1.937 -3.718 -1.161) 4.350 7.281 ( 1.937 3.718 -1.161) 4.350 7.687 ( -6.629 -4.470 7.055) 10.662 7.687 ( -6.629 4.470 7.055) 10.662 7.882 ( -0.043 -2.496 -0.501) 2.546 7.882 ( -0.043 2.496 -0.501) 2.546 8.227 ( 4.285 -3.514 -10.773) 12.115 8.227 ( 4.285 3.514 -10.773) 12.115 8.716 ( -5.616 -4.200 1.392) 7.149 8.716 ( -5.616 4.200 1.392) 7.149 9.192 ( 3.231 -2.416 1.670) 4.366 9.192 ( 3.231 2.416 1.670) 4.366 9.435 ( 8.977 -2.062 -1.610) 9.350 9.435 ( 8.977 2.062 -1.610) 9.350 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 5.735 -6.580 -2.684) 9.132 0.624 ( 5.735 6.580 -2.684) 9.132 0.809 ( 4.748 -12.308 0.363) 13.197 0.809 ( 4.748 12.308 0.363) 13.197 0.982 ( 1.626 -2.015 1.562) 3.024 0.982 ( 1.626 2.015 1.562) 3.024 1.175 ( 2.802 -2.377 -0.505) 3.709 1.175 ( 2.802 2.377 -0.505) 3.709 1.316 ( -0.049 -1.340 -1.191) 1.794 1.316 ( -0.049 1.340 -1.191) 1.794 1.393 ( 7.631 -2.410 1.312) 8.109 1.393 ( 7.631 2.410 1.312) 8.109 1.451 ( 1.535 -1.199 -2.772) 3.388 1.451 ( 1.535 1.199 -2.772) 3.388 1.510 ( 6.146 -1.950 0.740) 6.491 1.510 ( 6.146 1.950 0.740) 6.491 1.599 ( 3.312 -3.484 -3.309) 5.836 1.599 ( 3.312 3.484 -3.309) 5.836 1.712 ( 7.392 -1.358 0.988) 7.581 1.712 ( 7.392 1.358 0.988) 7.581 1.758 ( 5.309 -3.084 0.815) 6.194 1.758 ( 5.309 3.084 0.815) 6.194 1.804 ( 5.834 -1.492 0.384) 6.034 1.804 ( 5.834 1.492 0.384) 6.034 2.026 ( -1.379 -3.233 -0.548) 3.558 2.026 ( -1.379 3.233 -0.548) 3.558 2.461 ( 2.938 -4.934 2.480) 6.255 2.461 ( 2.938 4.934 2.480) 6.255 2.639 ( 5.555 -1.478 -1.875) 6.046 2.639 ( 5.555 1.478 -1.875) 6.046 2.679 ( 3.570 -0.961 -0.158) 3.700 2.679 ( 3.570 0.961 -0.158) 3.700 3.086 ( 4.999 -3.428 -0.858) 6.122 3.086 ( 4.999 3.428 -0.858) 6.122 3.244 ( 3.784 -3.265 -0.381) 5.013 3.244 ( 3.784 3.265 -0.381) 5.013 4.446 ( 2.220 -1.219 0.324) 2.554 4.446 ( 2.220 1.219 0.324) 2.554 4.597 ( -8.689 -6.851 -3.751) 11.683 4.597 ( -8.689 6.851 -3.751) 11.683 4.984 ( 19.440 -4.599 1.934) 20.070 4.984 ( 19.440 4.599 1.934) 20.070 5.225 ( 22.602 -2.337 -0.318) 22.724 5.225 ( 22.602 2.337 -0.318) 22.724 5.365 ( 21.685 -2.072 -3.386) 22.045 5.365 ( 21.685 2.072 -3.386) 22.045 5.737 ( 9.518 -0.146 0.219) 9.521 5.737 ( 9.518 0.146 0.219) 9.521 5.876 ( 2.829 -4.353 -5.571) 7.615 5.876 ( 2.829 4.353 -5.571) 7.615 6.008 ( -1.004 -1.751 7.918) 8.171 6.008 ( -1.004 1.751 7.918) 8.171 6.114 ( 3.184 -1.186 2.674) 4.323 6.114 ( 3.184 1.186 2.674) 4.323 6.498 ( 4.759 -5.462 -1.199) 7.343 6.498 ( 4.759 5.462 -1.199) 7.343 6.946 ( 3.369 -3.328 0.049) 4.736 6.946 ( 3.369 3.328 0.049) 4.736 7.326 ( 2.587 -5.201 -1.938) 6.124 7.326 ( 2.587 5.201 -1.938) 6.124 7.607 ( -1.859 -6.207 5.006) 8.188 7.607 ( -1.859 6.207 5.006) 8.188 7.867 ( -1.112 -1.923 0.905) 2.399 7.867 ( -1.112 1.923 0.905) 2.399 8.284 ( 2.218 -3.793 -10.362) 11.255 8.284 ( 2.218 3.793 -10.362) 11.255 8.616 ( -4.547 -3.578 1.886) 6.086 8.616 ( -4.547 3.578 1.886) 6.086 9.275 ( 4.936 -3.562 1.465) 6.261 9.275 ( 4.936 3.562 1.465) 6.261 9.605 ( 8.476 -1.776 -1.668) 8.819 9.605 ( 8.476 1.776 -1.668) 8.819 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 4.846 -4.201 -4.895) 8.068 0.722 ( 4.846 4.201 -4.895) 8.068 0.890 ( 2.799 -6.763 2.331) 7.681 0.890 ( 2.799 6.763 2.331) 7.681 1.007 ( 1.737 -2.392 2.652) 3.971 1.007 ( 1.737 2.392 2.652) 3.971 1.190 ( -0.647 -2.350 -1.513) 2.869 1.190 ( -0.647 2.350 -1.513) 2.869 1.282 ( -2.377 -0.966 -0.260) 2.579 1.282 ( -2.377 0.966 -0.260) 2.579 1.438 ( -0.061 -1.995 -1.811) 2.695 1.438 ( -0.061 1.995 -1.811) 2.695 1.499 ( 1.782 -1.709 0.011) 2.469 1.499 ( 1.782 1.709 0.011) 2.469 1.555 ( 0.739 -1.482 1.017) 1.943 1.555 ( 0.739 1.482 1.017) 1.943 1.646 ( 1.638 -0.887 -1.181) 2.205 1.646 ( 1.638 0.887 -1.181) 2.205 1.779 ( 0.415 -0.964 0.527) 1.174 1.779 ( 0.415 0.964 0.527) 1.174 1.880 ( 2.925 -1.132 -0.030) 3.136 1.880 ( 2.925 1.132 -0.030) 3.136 1.980 ( 9.000 -2.431 0.693) 9.348 1.980 ( 9.000 2.431 0.693) 9.348 2.088 ( 9.051 -4.848 -1.559) 10.385 2.088 ( 9.051 4.848 -1.559) 10.385 2.539 ( 4.837 -5.985 2.083) 7.972 2.539 ( 4.837 5.985 2.083) 7.972 2.722 ( 3.095 -0.666 -0.307) 3.181 2.722 ( 3.095 0.666 -0.307) 3.181 2.764 ( 5.137 -3.093 -1.547) 6.193 2.764 ( 5.137 3.093 -1.547) 6.193 3.166 ( 3.248 -4.493 -0.839) 5.607 3.166 ( 3.248 4.493 -0.839) 5.607 3.327 ( 4.526 -3.324 -0.214) 5.620 3.327 ( 4.526 3.324 -0.214) 5.620 4.364 ( -6.646 -4.018 0.096) 7.766 4.364 ( -6.646 4.018 0.096) 7.766 4.429 ( -8.193 -3.671 -2.491) 9.317 4.429 ( -8.193 3.671 -2.491) 9.317 5.127 ( 3.023 -5.642 2.830) 6.999 5.127 ( 3.023 5.642 2.830) 6.999 5.465 ( 4.109 -1.205 -0.555) 4.318 5.465 ( 4.109 1.205 -0.555) 4.318 5.707 ( 2.129 -7.802 -1.959) 8.321 5.707 ( 2.129 7.802 -1.959) 8.321 5.866 ( 4.573 -2.128 -4.320) 6.640 5.866 ( 4.573 2.128 -4.320) 6.640 6.081 ( 11.757 -2.241 2.288) 12.185 6.081 ( 11.757 2.241 2.288) 12.185 6.166 ( 10.727 -1.201 3.377) 11.310 6.166 ( 10.727 1.201 3.377) 11.310 6.287 ( 21.457 -0.630 -0.464) 21.471 6.287 ( 21.457 0.630 -0.464) 21.471 6.609 ( 8.271 -2.942 0.707) 8.808 6.609 ( 8.271 2.942 0.707) 8.808 7.024 ( 5.137 -2.852 -0.305) 5.883 7.024 ( 5.137 2.852 -0.305) 5.883 7.366 ( 1.543 -4.790 -2.096) 5.452 7.366 ( 1.543 4.790 -2.096) 5.452 7.621 ( 2.931 -4.886 2.976) 6.428 7.621 ( 2.931 4.886 2.976) 6.428 7.847 ( -1.179 -1.240 1.247) 2.117 7.847 ( -1.179 1.240 1.247) 2.117 8.305 ( 0.713 -3.065 -6.833) 7.523 8.305 ( 0.713 3.065 -6.833) 7.523 8.553 ( -2.301 -2.990 1.468) 4.049 8.553 ( -2.301 2.990 1.468) 4.049 9.363 ( 3.949 -3.446 0.832) 5.307 9.363 ( 3.949 3.446 0.832) 5.307 9.743 ( 5.954 -2.868 -1.117) 6.703 9.743 ( 5.954 2.868 -1.117) 6.703 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 2.939 -1.183 -3.501) 4.721 0.798 ( 2.939 1.183 -3.501) 4.721 0.902 ( -0.853 -2.689 2.217) 3.588 0.902 ( -0.853 2.689 2.217) 3.588 1.061 ( 2.887 -5.339 2.685) 6.637 1.061 ( 2.887 5.339 2.685) 6.637 1.158 ( -2.097 -1.384 -2.009) 3.217 1.158 ( -2.097 1.384 -2.009) 3.217 1.245 ( -1.157 -1.177 0.033) 1.650 1.245 ( -1.157 1.177 0.033) 1.650 1.433 ( -0.205 -1.717 -0.656) 1.850 1.433 ( -0.205 1.717 -0.656) 1.850 1.510 ( 0.010 -0.529 -0.190) 0.562 1.510 ( 0.010 0.529 -0.190) 0.562 1.562 ( 0.081 -1.329 0.446) 1.404 1.562 ( 0.081 1.329 0.446) 1.404 1.682 ( 1.758 -0.311 -0.482) 1.849 1.682 ( 1.758 0.311 -0.482) 1.849 1.767 ( -1.092 -0.679 0.641) 1.436 1.767 ( -1.092 0.679 0.641) 1.436 1.897 ( 0.142 -1.515 -0.335) 1.558 1.897 ( 0.142 1.515 -0.335) 1.558 2.087 ( 2.668 -2.949 0.115) 3.978 2.087 ( 2.668 2.949 0.115) 3.978 2.240 ( 4.618 -3.713 -0.492) 5.946 2.240 ( 4.618 3.713 -0.492) 5.946 2.619 ( 2.620 -5.517 0.966) 6.183 2.619 ( 2.620 5.517 0.966) 6.183 2.765 ( 1.298 -0.294 -0.095) 1.334 2.765 ( 1.298 0.294 -0.095) 1.334 2.839 ( 2.330 -5.076 -0.768) 5.637 2.839 ( 2.330 5.076 -0.768) 5.637 3.207 ( 1.142 -4.682 -0.349) 4.832 3.207 ( 1.142 4.682 -0.349) 4.832 3.393 ( 2.043 -3.297 -0.057) 3.879 3.393 ( 2.043 3.297 -0.057) 3.879 4.268 ( -2.784 -5.316 0.107) 6.002 4.268 ( -2.784 5.316 0.107) 6.002 4.307 ( -3.772 -2.713 -0.916) 4.736 4.307 ( -3.772 2.713 -0.916) 4.736 5.168 ( 1.187 -3.063 1.026) 3.442 5.168 ( 1.187 3.063 1.026) 3.442 5.503 ( 0.764 -0.558 0.356) 1.011 5.503 ( 0.764 0.558 0.356) 1.011 5.673 ( -1.869 -4.796 -1.551) 5.376 5.673 ( -1.869 4.796 -1.551) 5.376 5.902 ( 0.519 -1.090 -0.253) 1.233 5.902 ( 0.519 1.090 -0.253) 1.233 6.184 ( 1.635 -0.992 0.443) 1.964 6.184 ( 1.635 0.992 0.443) 1.964 6.378 ( 6.968 -2.436 1.106) 7.464 6.378 ( 6.968 2.436 1.106) 7.464 6.512 ( 3.421 -1.831 -1.205) 4.063 6.512 ( 3.421 1.831 -1.205) 4.063 6.813 ( 7.670 -4.248 0.834) 8.807 6.813 ( 7.670 4.248 0.834) 8.807 7.139 ( 5.570 -3.058 -0.205) 6.358 7.139 ( 5.570 3.058 -0.205) 6.358 7.374 ( -0.510 -3.244 -0.748) 3.368 7.374 ( -0.510 3.244 -0.748) 3.368 7.706 ( 4.896 -1.654 0.538) 5.196 7.706 ( 4.896 1.654 0.538) 5.196 7.814 ( -2.477 -0.856 0.842) 2.753 7.814 ( -2.477 0.856 0.842) 2.753 8.310 ( 0.155 -2.307 -2.386) 3.323 8.310 ( 0.155 2.307 -2.386) 3.323 8.527 ( -0.592 -2.737 0.556) 2.855 8.527 ( -0.592 2.737 0.556) 2.855 9.416 ( 1.469 -2.723 0.245) 3.103 9.416 ( 1.469 2.723 0.245) 3.103 9.821 ( 2.192 -3.564 -0.373) 4.201 9.821 ( 2.192 3.564 -0.373) 4.201 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( 0.576 0.000 9.956) 9.973 0.319 ( -2.626 0.000 16.121) 16.333 0.534 ( -0.010 0.000 -1.233) 1.233 0.541 ( -10.266 0.000 21.258) 23.607 0.711 ( 7.754 0.000 3.649) 8.570 0.912 ( -4.843 0.000 8.309) 9.617 0.970 ( 1.789 0.000 1.267) 2.192 1.094 ( 0.330 0.000 1.941) 1.969 1.115 ( 0.156 0.000 -4.203) 4.206 1.150 ( 0.810 0.000 -0.610) 1.014 1.252 ( -2.407 0.000 -1.659) 2.923 1.290 ( 0.345 0.000 -0.335) 0.481 1.315 ( -0.674 0.000 1.915) 2.030 1.320 ( -0.024 0.000 1.067) 1.067 1.427 ( -0.494 0.000 -3.670) 3.703 1.498 ( 1.681 0.000 1.028) 1.971 1.508 ( 0.380 0.000 0.591) 0.703 1.580 ( 0.106 0.000 -0.539) 0.549 1.631 ( -0.765 0.000 2.216) 2.344 1.642 ( -1.295 0.000 0.031) 1.295 1.669 ( -0.601 0.000 1.205) 1.347 1.732 ( -1.121 0.000 2.939) 3.146 1.806 ( 1.268 0.000 1.242) 1.775 1.945 ( -1.938 0.000 6.734) 7.007 2.045 ( 1.502 0.000 0.290) 1.530 2.214 ( 0.434 0.000 1.346) 1.415 2.272 ( -0.697 0.000 1.678) 1.817 2.425 ( 0.793 0.000 -0.032) 0.794 2.515 ( -1.171 0.000 -1.661) 2.032 2.616 ( 0.018 0.000 -3.382) 3.382 2.633 ( -0.750 0.000 2.268) 2.388 2.729 ( 4.630 0.000 -4.214) 6.261 2.770 ( -0.945 0.000 -1.312) 1.617 2.808 ( 1.504 0.000 0.357) 1.546 3.058 ( 0.117 0.000 -5.455) 5.457 3.204 ( -0.434 0.000 -4.753) 4.773 3.634 ( -2.106 0.000 -0.709) 2.222 3.730 ( -2.146 0.000 2.642) 3.404 4.049 ( 0.077 0.000 -0.036) 0.085 4.103 ( -1.138 0.000 -6.860) 6.954 4.328 ( 6.447 0.000 1.066) 6.535 4.611 ( -4.979 0.000 1.401) 5.173 4.968 ( 2.342 0.000 1.002) 2.547 5.017 ( -5.544 0.000 -4.911) 7.406 5.279 ( -0.910 0.000 3.194) 3.321 5.476 ( -6.519 0.000 -1.802) 6.764 5.564 ( -6.881 0.000 -10.355) 12.433 5.722 ( 6.656 0.000 6.562) 9.347 5.758 ( 1.315 0.000 -0.599) 1.445 5.799 ( 1.848 0.000 -3.071) 3.584 5.862 ( 3.922 0.000 -4.151) 5.711 6.012 ( -4.430 0.000 -3.805) 5.839 6.116 ( -3.843 0.000 5.211) 6.475 6.245 ( 2.664 0.000 9.371) 9.742 6.503 ( -2.114 0.000 4.147) 4.654 6.698 ( 19.984 0.000 0.543) 19.991 7.063 ( 0.551 0.000 -0.900) 1.056 7.075 ( -1.800 0.000 -3.503) 3.938 7.102 ( 0.432 0.000 0.459) 0.630 7.191 ( 2.789 0.000 -0.136) 2.792 7.422 ( 0.100 0.000 1.734) 1.737 7.708 ( 0.787 0.000 -4.101) 4.176 7.746 ( 0.537 0.000 -2.800) 2.851 7.963 ( 3.582 0.000 -7.987) 8.753 8.319 ( -7.173 0.000 6.978) 10.007 8.372 ( -45.996 0.000 5.189) 46.287 8.601 ( 2.029 0.000 -0.148) 2.035 8.870 ( 4.490 0.000 -1.941) 4.892 9.132 ( 1.391 0.000 0.915) 1.665 9.255 ( -2.649 0.000 -0.308) 2.667 9.263 ( 13.597 0.000 0.041) 13.597 9.310 ( -3.052 0.000 -0.492) 3.091 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 6.734 0.000 12.996) 14.638 0.386 ( 4.784 0.000 15.462) 16.185 0.594 ( 16.799 0.000 8.898) 19.010 0.813 ( 19.534 0.000 -2.066) 19.643 0.908 ( 4.063 0.000 4.456) 6.030 1.017 ( 17.244 0.000 -4.508) 17.824 1.075 ( 8.747 0.000 2.721) 9.161 1.096 ( 0.038 0.000 3.623) 3.623 1.134 ( 2.135 0.000 -3.400) 4.015 1.179 ( 2.178 0.000 1.084) 2.433 1.235 ( 1.299 0.000 -4.155) 4.353 1.303 ( 4.030 0.000 0.233) 4.036 1.350 ( 3.052 0.000 1.268) 3.305 1.357 ( 4.129 0.000 -0.607) 4.173 1.418 ( 0.049 0.000 -3.110) 3.111 1.503 ( -0.082 0.000 -0.518) 0.525 1.515 ( 0.364 0.000 3.086) 3.107 1.586 ( 2.096 0.000 0.304) 2.118 1.631 ( 0.663 0.000 -2.287) 2.381 1.641 ( 0.172 0.000 4.228) 4.231 1.711 ( 5.084 0.000 -0.022) 5.084 1.712 ( 0.196 0.000 5.724) 5.727 1.811 ( -0.663 0.000 1.755) 1.876 1.898 ( -2.497 0.000 5.748) 6.267 2.060 ( -0.047 0.000 1.496) 1.496 2.203 ( -1.610 0.000 2.238) 2.757 2.286 ( 0.740 0.000 0.872) 1.143 2.495 ( 4.881 0.000 0.990) 4.980 2.522 ( 2.739 0.000 -3.246) 4.247 2.650 ( 2.204 0.000 1.352) 2.586 2.691 ( 6.299 0.000 -3.274) 7.099 2.763 ( 2.014 0.000 -3.678) 4.193 2.799 ( 3.955 0.000 -1.892) 4.384 2.890 ( 2.556 0.000 -1.796) 3.124 3.082 ( 2.555 0.000 -5.466) 6.034 3.212 ( 1.585 0.000 -5.047) 5.290 4.002 ( 32.181 0.000 -3.871) 32.413 4.116 ( 38.153 0.000 0.752) 38.161 4.233 ( 8.931 0.000 -7.567) 11.706 4.293 ( 20.197 0.000 0.817) 20.214 4.512 ( -1.608 0.000 -2.720) 3.160 4.621 ( 24.823 0.000 5.659) 25.460 4.967 ( 3.887 0.000 -8.290) 9.156 5.006 ( 3.949 0.000 0.862) 4.042 5.155 ( -10.429 0.000 3.705) 11.067 5.353 ( -6.078 0.000 -0.488) 6.097 5.527 ( 4.280 0.000 -6.599) 7.865 5.717 ( -2.777 0.000 -3.817) 4.720 5.871 ( 8.281 0.000 1.429) 8.404 5.905 ( 5.595 0.000 5.436) 7.801 5.961 ( 5.426 0.000 -2.106) 5.821 5.970 ( 0.493 0.000 -3.879) 3.910 6.071 ( -0.902 0.000 5.718) 5.789 6.305 ( 3.165 0.000 6.045) 6.823 6.468 ( -1.605 0.000 3.357) 3.721 6.671 ( -16.364 0.000 17.035) 23.621 7.047 ( -0.789 0.000 -2.259) 2.393 7.064 ( -0.278 0.000 -0.025) 0.279 7.118 ( 0.319 0.000 1.848) 1.875 7.256 ( 3.760 0.000 -0.202) 3.765 7.433 ( 0.862 0.000 2.180) 2.345 7.670 ( 0.134 0.000 -5.722) 5.724 7.748 ( -0.090 0.000 -2.790) 2.791 7.889 ( 0.794 0.000 4.685) 4.752 8.068 ( 4.247 0.000 -6.541) 7.799 8.219 ( -4.564 0.000 1.683) 4.864 8.594 ( -2.904 0.000 1.813) 3.424 8.864 ( -4.413 0.000 2.057) 4.869 9.176 ( 3.078 0.000 2.068) 3.708 9.259 ( 4.328 0.000 -2.657) 5.079 9.386 ( 9.145 0.000 -3.035) 9.635 9.486 ( 6.847 0.000 -4.552) 8.223 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 9.938 0.000 11.212) 14.982 0.556 ( 11.000 0.000 7.408) 13.262 0.847 ( 6.980 0.000 -2.470) 7.404 0.989 ( 4.176 0.000 6.415) 7.655 1.027 ( 3.803 0.000 -2.009) 4.301 1.089 ( -0.434 0.000 4.064) 4.087 1.168 ( 2.036 0.000 -2.115) 2.936 1.196 ( 1.745 0.000 1.035) 2.028 1.285 ( 2.544 0.000 -3.553) 4.370 1.299 ( 7.881 0.000 -1.662) 8.054 1.306 ( 11.509 0.000 1.014) 11.554 1.375 ( -0.776 0.000 -0.301) 0.832 1.377 ( 2.041 0.000 -2.234) 3.026 1.458 ( 3.598 0.000 -1.494) 3.896 1.474 ( 4.361 0.000 1.506) 4.614 1.529 ( 3.163 0.000 0.190) 3.169 1.590 ( 9.927 0.000 -0.185) 9.929 1.638 ( -0.665 0.000 2.572) 2.657 1.653 ( 2.787 0.000 0.035) 2.788 1.699 ( 7.632 0.000 -0.643) 7.659 1.748 ( -1.733 0.000 -1.451) 2.260 1.767 ( 7.541 0.000 4.189) 8.626 1.882 ( 3.854 0.000 2.630) 4.666 1.894 ( 7.062 0.000 5.620) 9.025 2.041 ( -1.732 0.000 4.242) 4.582 2.172 ( -1.041 0.000 1.965) 2.224 2.297 ( 0.733 0.000 1.123) 1.341 2.567 ( 3.669 0.000 -2.198) 4.277 2.613 ( 5.301 0.000 -0.323) 5.310 2.700 ( 2.847 0.000 -0.512) 2.893 2.810 ( 6.061 0.000 -2.717) 6.642 2.815 ( 3.006 0.000 -3.220) 4.405 2.907 ( 7.153 0.000 -2.248) 7.498 2.945 ( 4.395 0.000 1.483) 4.639 3.144 ( 4.017 0.000 -5.399) 6.729 3.259 ( 3.621 0.000 -5.121) 6.272 4.275 ( -4.516 0.000 -4.017) 6.044 4.405 ( 3.664 0.000 -4.267) 5.624 4.459 ( 4.177 0.000 -6.574) 7.789 4.526 ( 3.561 0.000 1.710) 3.950 4.873 ( -2.172 0.000 7.201) 7.521 5.028 ( 23.794 0.000 1.625) 23.850 5.197 ( 17.015 0.000 -9.650) 19.561 5.278 ( 26.016 0.000 2.192) 26.108 5.290 ( 22.533 0.000 -4.172) 22.916 5.324 ( 21.118 0.000 -0.902) 21.137 5.667 ( -0.512 0.000 -4.332) 4.362 5.731 ( 18.727 0.000 -0.140) 18.727 5.998 ( 3.803 0.000 -2.055) 4.322 6.010 ( 5.226 0.000 -0.906) 5.304 6.045 ( 4.565 0.000 -6.086) 7.608 6.053 ( 10.322 0.000 8.303) 13.247 6.100 ( 3.640 0.000 8.590) 9.329 6.318 ( -3.812 0.000 2.702) 4.673 6.453 ( 0.267 0.000 5.259) 5.265 6.485 ( -0.942 0.000 18.415) 18.439 7.051 ( 1.583 0.000 -0.671) 1.719 7.076 ( 1.573 0.000 -1.710) 2.323 7.154 ( 3.319 0.000 0.531) 3.361 7.328 ( 3.862 0.000 -1.382) 4.102 7.454 ( 1.043 0.000 2.870) 3.054 7.691 ( 1.181 0.000 -8.186) 8.271 7.743 ( -0.131 0.000 -2.630) 2.633 7.948 ( 2.470 0.000 0.387) 2.500 8.132 ( 2.023 0.000 3.363) 3.925 8.189 ( 2.585 0.000 -10.897) 11.200 8.516 ( -4.573 0.000 1.857) 4.935 8.761 ( -5.654 0.000 3.275) 6.534 9.246 ( 4.097 0.000 2.438) 4.768 9.391 ( 8.663 0.000 -3.184) 9.230 9.555 ( 1.752 0.000 -0.444) 1.808 9.585 ( 10.856 0.000 -3.106) 11.292 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 7.758 0.000 6.605) 10.189 0.762 ( 9.804 0.000 4.553) 10.809 0.925 ( 3.454 0.000 -0.957) 3.584 1.036 ( 0.473 0.000 6.692) 6.709 1.050 ( -0.289 0.000 -1.623) 1.649 1.079 ( -0.822 0.000 3.239) 3.341 1.205 ( 1.856 0.000 -1.677) 2.501 1.221 ( 0.785 0.000 1.645) 1.823 1.278 ( -2.488 0.000 -3.467) 4.267 1.305 ( -2.780 0.000 1.602) 3.208 1.356 ( -1.529 0.000 0.488) 1.605 1.397 ( 0.465 0.000 -2.043) 2.095 1.448 ( 2.303 0.000 -4.884) 5.400 1.532 ( 2.972 0.000 0.669) 3.047 1.536 ( 2.636 0.000 1.619) 3.094 1.588 ( 2.141 0.000 2.272) 3.121 1.640 ( 1.140 0.000 -0.708) 1.342 1.692 ( 2.098 0.000 2.257) 3.082 1.702 ( 2.337 0.000 -2.782) 3.633 1.719 ( -0.479 0.000 -0.058) 0.483 1.886 ( -1.494 0.000 0.989) 1.791 1.906 ( 10.283 0.000 0.182) 10.285 1.989 ( 12.186 0.000 2.092) 12.364 2.018 ( -1.388 0.000 6.487) 6.634 2.102 ( 10.039 0.000 4.336) 10.936 2.207 ( 5.089 0.000 1.601) 5.335 2.335 ( 3.876 0.000 1.504) 4.157 2.635 ( 3.486 0.000 -2.143) 4.092 2.697 ( 3.249 0.000 0.845) 3.357 2.760 ( 3.538 0.000 -1.586) 3.878 2.864 ( 2.311 0.000 -2.730) 3.576 2.912 ( 4.731 0.000 -2.522) 5.362 3.046 ( 7.071 0.000 -1.865) 7.313 3.050 ( 5.671 0.000 2.111) 6.051 3.215 ( 3.481 0.000 -4.795) 5.925 3.335 ( 4.329 0.000 -4.931) 6.561 4.155 ( -6.093 0.000 -3.696) 7.126 4.329 ( -6.726 0.000 -2.433) 7.153 4.493 ( -3.261 0.000 -5.377) 6.288 4.495 ( -4.673 0.000 -2.826) 5.461 4.757 ( -0.431 0.000 5.064) 5.083 5.095 ( -3.789 0.000 3.179) 4.946 5.379 ( 3.740 0.000 -9.695) 10.392 5.497 ( 0.989 0.000 4.578) 4.684 5.766 ( 7.365 0.000 -4.567) 8.666 5.852 ( 17.917 0.000 2.043) 18.033 5.867 ( 22.113 0.000 -0.512) 22.119 6.030 ( 3.570 0.000 0.053) 3.571 6.091 ( 4.316 0.000 -1.342) 4.519 6.147 ( 8.473 0.000 4.307) 9.505 6.151 ( 7.386 0.000 -3.199) 8.049 6.211 ( 8.875 0.000 2.698) 9.276 6.277 ( 6.878 0.000 2.142) 7.204 6.359 ( 14.261 0.000 0.313) 14.265 6.529 ( 9.100 0.000 8.465) 12.428 6.617 ( 15.979 0.000 13.430) 20.873 7.114 ( 2.426 0.000 -2.457) 3.452 7.116 ( 5.165 0.000 0.770) 5.222 7.244 ( 6.096 0.000 -0.847) 6.155 7.405 ( 4.658 0.000 -3.465) 5.806 7.465 ( -0.236 0.000 3.478) 3.486 7.705 ( 0.777 0.000 -8.586) 8.621 7.743 ( 0.146 0.000 -2.495) 2.499 7.959 ( -0.827 0.000 0.970) 1.275 8.186 ( 3.805 0.000 0.949) 3.922 8.261 ( 4.356 0.000 -5.695) 7.170 8.444 ( -2.903 0.000 0.944) 3.053 8.670 ( -4.123 0.000 3.260) 5.256 9.327 ( 3.982 0.000 2.119) 4.511 9.549 ( 7.529 0.000 -2.549) 7.949 9.573 ( 0.341 0.000 1.927) 1.957 9.767 ( 8.039 0.000 -2.541) 8.431 ======================= Grid point 49 (20/96) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 2.782 0.000 1.714) 3.268 0.912 ( 5.032 0.000 2.978) 5.847 0.984 ( 1.026 0.000 6.674) 6.752 1.029 ( -1.574 0.000 0.677) 1.713 1.040 ( 0.062 0.000 6.266) 6.267 1.069 ( 0.533 0.000 1.651) 1.735 1.219 ( -0.632 0.000 -1.896) 1.999 1.230 ( 0.584 0.000 1.867) 1.956 1.236 ( -0.710 0.000 -3.274) 3.350 1.258 ( -1.800 0.000 1.230) 2.180 1.326 ( -0.583 0.000 -0.176) 0.609 1.402 ( 0.504 0.000 -1.984) 2.047 1.461 ( -0.178 0.000 -4.584) 4.587 1.541 ( -0.831 0.000 0.824) 1.171 1.577 ( 1.741 0.000 -0.390) 1.784 1.598 ( -1.445 0.000 1.470) 2.062 1.686 ( 3.930 0.000 0.404) 3.951 1.711 ( 0.058 0.000 -0.003) 0.058 1.716 ( -0.953 0.000 -0.285) 0.994 1.746 ( 2.312 0.000 -0.064) 2.313 1.860 ( -1.235 0.000 2.170) 2.497 1.989 ( -1.240 0.000 4.444) 4.614 2.022 ( 2.470 0.000 -0.771) 2.587 2.142 ( 3.324 0.000 3.713) 4.983 2.237 ( 3.519 0.000 4.046) 5.362 2.305 ( 3.438 0.000 2.596) 4.308 2.438 ( 5.243 0.000 0.266) 5.250 2.685 ( 1.441 0.000 -0.281) 1.468 2.733 ( 0.487 0.000 -0.152) 0.510 2.816 ( 1.871 0.000 -1.278) 2.265 2.896 ( 1.125 0.000 -2.397) 2.648 2.979 ( 2.176 0.000 -2.387) 3.230 3.131 ( 2.249 0.000 1.838) 2.904 3.150 ( 3.528 0.000 -0.966) 3.658 3.263 ( 1.734 0.000 -3.875) 4.246 3.400 ( 2.260 0.000 -4.680) 5.197 4.073 ( -2.049 0.000 -3.816) 4.331 4.222 ( -3.545 0.000 -1.657) 3.913 4.389 ( -4.373 0.000 -0.739) 4.435 4.409 ( -3.176 0.000 -3.920) 5.045 4.841 ( 6.627 0.000 1.735) 6.850 5.018 ( -4.371 0.000 2.426) 4.999 5.399 ( 0.233 0.000 -1.831) 1.846 5.511 ( 1.069 0.000 -2.561) 2.775 5.847 ( 2.148 0.000 -2.345) 3.180 5.936 ( -1.276 0.000 -4.278) 4.465 6.054 ( -0.639 0.000 -0.761) 0.994 6.091 ( 1.643 0.000 3.930) 4.260 6.132 ( 2.675 0.000 -0.839) 2.803 6.149 ( -1.202 0.000 1.873) 2.225 6.305 ( 6.497 0.000 1.477) 6.662 6.381 ( 5.570 0.000 6.455) 8.526 6.397 ( 0.613 0.000 4.344) 4.388 6.560 ( 7.180 0.000 4.713) 8.589 6.743 ( 8.112 0.000 2.607) 8.521 6.929 ( 8.752 0.000 5.404) 10.286 7.174 ( 4.041 0.000 -1.686) 4.379 7.214 ( 3.739 0.000 2.359) 4.421 7.357 ( 4.496 0.000 -1.092) 4.627 7.421 ( -2.816 0.000 2.364) 3.677 7.536 ( 7.342 0.000 -4.149) 8.433 7.710 ( 0.286 0.000 -9.600) 9.604 7.726 ( -2.641 0.000 -2.580) 3.692 7.932 ( -1.930 0.000 0.023) 1.930 8.266 ( 4.268 0.000 2.094) 4.754 8.336 ( 3.846 0.000 -0.510) 3.880 8.409 ( -0.954 0.000 0.209) 0.976 8.609 ( -2.496 0.000 2.512) 3.541 9.384 ( 1.508 0.000 1.586) 2.189 9.575 ( -0.233 0.000 2.935) 2.944 9.655 ( 3.499 0.000 -1.698) 3.889 9.873 ( 3.159 0.000 -2.054) 3.768 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -1.502 0.000 2.480) 2.899 0.901 ( -5.519 0.000 2.573) 6.089 0.979 ( -0.477 0.000 7.762) 7.776 1.025 ( -1.390 0.000 2.307) 2.693 1.040 ( 2.315 0.000 2.002) 3.061 1.094 ( 0.775 0.000 3.168) 3.261 1.212 ( 0.358 0.000 -2.279) 2.307 1.230 ( -1.005 0.000 0.943) 1.378 1.251 ( 2.316 0.000 -2.817) 3.646 1.282 ( 4.158 0.000 3.941) 5.729 1.331 ( 0.427 0.000 -0.205) 0.473 1.415 ( 1.063 0.000 -2.045) 2.305 1.443 ( -1.372 0.000 -4.391) 4.601 1.530 ( -0.156 0.000 1.457) 1.466 1.571 ( -1.010 0.000 0.457) 1.109 1.603 ( 1.115 0.000 -0.658) 1.295 1.666 ( -3.369 0.000 -1.655) 3.754 1.699 ( -1.282 0.000 0.117) 1.287 1.770 ( 2.975 0.000 1.190) 3.204 1.783 ( 1.210 0.000 0.711) 1.403 1.828 ( -1.059 0.000 2.612) 2.818 1.989 ( 0.485 0.000 3.477) 3.511 2.023 ( -2.148 0.000 -1.583) 2.668 2.126 ( -5.318 0.000 5.009) 7.305 2.232 ( -4.296 0.000 3.816) 5.746 2.315 ( -2.440 0.000 3.200) 4.024 2.464 ( -3.298 0.000 1.063) 3.465 2.687 ( -0.866 0.000 1.633) 1.848 2.722 ( -1.175 0.000 -2.808) 3.044 2.814 ( -2.001 0.000 -1.436) 2.463 2.899 ( -0.931 0.000 -1.863) 2.083 2.984 ( -1.566 0.000 -2.269) 2.757 3.125 ( -3.056 0.000 1.562) 3.432 3.167 ( -1.805 0.000 -0.192) 1.815 3.275 ( -0.306 0.000 -3.248) 3.263 3.403 ( -1.680 0.000 -4.477) 4.782 4.071 ( 1.587 0.000 -3.413) 3.764 4.210 ( 2.376 0.000 -1.122) 2.628 4.385 ( 4.440 0.000 0.038) 4.440 4.399 ( 2.558 0.000 -4.888) 5.517 4.927 ( -4.372 0.000 2.524) 5.048 4.981 ( 6.749 0.000 1.510) 6.916 5.419 ( 2.100 0.000 1.703) 2.704 5.531 ( 1.153 0.000 -5.958) 6.068 5.866 ( 0.394 0.000 -2.799) 2.827 5.869 ( -5.154 0.000 -3.854) 6.435 6.011 ( -3.586 0.000 -4.731) 5.936 6.064 ( -3.316 0.000 -0.372) 3.337 6.127 ( -2.148 0.000 5.102) 5.535 6.184 ( 2.059 0.000 5.907) 6.255 6.305 ( -8.115 0.000 0.733) 8.148 6.359 ( -4.897 0.000 3.578) 6.065 6.458 ( 3.167 0.000 6.933) 7.622 6.590 ( -4.167 0.000 4.450) 6.096 6.733 ( -9.973 0.000 1.954) 10.162 6.907 ( -10.800 0.000 4.449) 11.680 7.203 ( -1.569 0.000 -0.345) 1.606 7.210 ( -4.594 0.000 1.881) 4.964 7.368 ( -3.380 0.000 -0.498) 3.416 7.397 ( 1.073 0.000 1.746) 2.050 7.603 ( -5.880 0.000 -2.400) 6.351 7.659 ( 1.102 0.000 -4.333) 4.471 7.711 ( 0.433 0.000 -9.873) 9.883 7.890 ( -2.327 0.000 -0.407) 2.362 8.338 ( 2.851 0.000 6.002) 6.644 8.402 ( 0.251 0.000 -0.779) 0.819 8.414 ( 4.562 0.000 1.343) 4.755 8.577 ( -0.972 0.000 1.189) 1.536 9.376 ( -2.470 0.000 1.165) 2.731 9.567 ( -0.870 0.000 2.473) 2.622 9.674 ( -1.432 0.000 -0.833) 1.657 9.881 ( -2.188 0.000 -1.646) 2.737 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -8.656 0.000 4.846) 9.920 0.769 ( -5.452 0.000 6.995) 8.868 0.981 ( -0.940 0.000 3.159) 3.296 1.003 ( -0.267 0.000 2.814) 2.827 1.078 ( 1.075 0.000 0.457) 1.168 1.106 ( 0.436 0.000 2.629) 2.665 1.209 ( -1.368 0.000 0.570) 1.482 1.211 ( -1.035 0.000 -2.277) 2.501 1.297 ( 1.881 0.000 -0.569) 1.965 1.337 ( 0.776 0.000 -1.841) 1.998 1.361 ( 2.754 0.000 4.861) 5.587 1.411 ( -1.397 0.000 -2.721) 3.059 1.441 ( 1.267 0.000 -0.988) 1.607 1.521 ( -3.509 0.000 2.404) 4.254 1.554 ( -1.106 0.000 -0.819) 1.376 1.597 ( -1.681 0.000 -2.610) 3.105 1.618 ( 0.209 0.000 -0.489) 0.532 1.661 ( -2.742 0.000 0.649) 2.818 1.761 ( -1.312 0.000 1.795) 2.224 1.771 ( -3.636 0.000 1.384) 3.890 1.885 ( 4.516 0.000 1.342) 4.711 1.906 ( -11.415 0.000 -0.834) 11.446 1.965 ( -10.244 0.000 5.042) 11.418 1.979 ( -2.364 0.000 2.914) 3.752 2.087 ( -10.431 0.000 4.154) 11.227 2.240 ( -4.494 0.000 3.713) 5.829 2.359 ( -5.635 0.000 1.606) 5.860 2.655 ( -2.803 0.000 1.464) 3.162 2.686 ( -2.811 0.000 -2.131) 3.527 2.757 ( -2.920 0.000 -3.144) 4.291 2.850 ( -4.193 0.000 -1.846) 4.581 2.921 ( -4.660 0.000 -2.406) 5.244 3.033 ( -5.972 0.000 1.550) 6.170 3.089 ( -5.996 0.000 0.189) 5.999 3.248 ( -2.406 0.000 -3.085) 3.912 3.343 ( -3.887 0.000 -4.553) 5.987 4.115 ( 3.086 0.000 -3.293) 4.513 4.298 ( 6.260 0.000 -0.656) 6.294 4.482 ( 5.271 0.000 -5.288) 7.466 4.541 ( 10.521 0.000 0.040) 10.521 4.835 ( -4.318 0.000 1.507) 4.573 5.115 ( 6.070 0.000 3.165) 6.845 5.469 ( 1.813 0.000 2.477) 3.070 5.547 ( 1.104 0.000 -9.472) 9.536 5.734 ( -10.424 0.000 -1.267) 10.500 5.860 ( -1.790 0.000 -5.942) 6.206 5.885 ( -11.793 0.000 1.436) 11.880 5.918 ( -17.197 0.000 3.117) 17.477 6.017 ( -18.258 0.000 -0.620) 18.268 6.049 ( -5.930 0.000 3.408) 6.839 6.157 ( -19.407 0.000 -2.162) 19.527 6.207 ( -3.490 0.000 3.531) 4.965 6.329 ( -18.786 0.000 0.245) 18.787 6.427 ( -11.890 0.000 0.789) 11.916 6.556 ( -0.422 0.000 8.570) 8.581 6.599 ( -15.411 0.000 12.924) 20.113 7.109 ( -4.484 0.000 0.521) 4.514 7.158 ( -2.492 0.000 -0.952) 2.668 7.270 ( -5.587 0.000 0.204) 5.590 7.406 ( -3.233 0.000 -0.847) 3.342 7.465 ( -4.018 0.000 -0.316) 4.030 7.680 ( 0.790 0.000 -3.814) 3.895 7.709 ( -0.486 0.000 -8.072) 8.087 7.854 ( -1.056 0.000 -0.913) 1.396 8.384 ( 1.817 0.000 8.877) 9.061 8.421 ( 1.930 0.000 -1.699) 2.571 8.505 ( 4.636 0.000 3.560) 5.845 8.577 ( 1.138 0.000 -0.834) 1.411 9.299 ( -5.303 0.000 0.611) 5.338 9.540 ( -2.099 0.000 0.188) 2.108 9.606 ( -5.517 0.000 0.066) 5.517 9.794 ( -6.667 0.000 -1.087) 6.755 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -9.654 0.000 8.603) 12.931 0.647 ( -7.936 0.000 10.161) 12.892 0.921 ( -5.493 0.000 0.425) 5.509 1.018 ( 0.808 0.000 4.288) 4.364 1.057 ( -4.082 0.000 -0.152) 4.085 1.109 ( -0.717 0.000 2.345) 2.452 1.169 ( -3.009 0.000 -3.002) 4.251 1.169 ( -3.585 0.000 2.627) 4.444 1.293 ( -9.284 0.000 -0.568) 9.301 1.318 ( -4.509 0.000 0.049) 4.509 1.328 ( -10.901 0.000 -2.875) 11.274 1.364 ( -4.343 0.000 4.772) 6.452 1.377 ( -0.018 0.000 -1.501) 1.501 1.472 ( -0.171 0.000 1.265) 1.277 1.505 ( -4.396 0.000 -1.355) 4.600 1.564 ( -6.286 0.000 3.497) 7.193 1.576 ( -5.660 0.000 -0.334) 5.670 1.626 ( 2.675 0.000 -0.678) 2.760 1.632 ( -6.204 0.000 -0.448) 6.220 1.735 ( -6.513 0.000 3.812) 7.546 1.737 ( -1.760 0.000 -0.845) 1.952 1.775 ( -6.311 0.000 3.009) 6.991 1.872 ( -7.704 0.000 2.325) 8.048 1.935 ( -2.190 0.000 5.174) 5.619 1.977 ( 3.300 0.000 2.497) 4.138 2.186 ( -1.252 0.000 3.178) 3.416 2.297 ( -1.139 0.000 -0.743) 1.360 2.580 ( -5.094 0.000 0.561) 5.125 2.616 ( -3.878 0.000 -0.377) 3.897 2.720 ( -1.409 0.000 -5.251) 5.437 2.749 ( -5.495 0.000 -0.427) 5.512 2.815 ( -6.180 0.000 -2.753) 6.766 2.928 ( -4.841 0.000 1.432) 5.048 2.959 ( -7.289 0.000 0.136) 7.290 3.178 ( -4.541 0.000 -3.734) 5.879 3.274 ( -2.897 0.000 -4.414) 5.280 4.177 ( 3.373 0.000 -3.455) 4.828 4.406 ( 3.065 0.000 0.276) 3.078 4.496 ( -8.375 0.000 -2.451) 8.727 4.624 ( -5.236 0.000 -3.733) 6.431 4.861 ( 3.018 0.000 5.647) 6.403 5.029 ( -23.850 0.000 -0.415) 23.853 5.302 ( -34.807 0.000 2.910) 34.928 5.309 ( -21.649 0.000 -8.213) 23.154 5.418 ( -31.807 0.000 -5.318) 32.249 5.499 ( -6.887 0.000 7.041) 9.849 5.590 ( 3.128 0.000 -7.194) 7.844 5.747 ( -8.372 0.000 -1.499) 8.505 5.764 ( -3.384 0.000 0.185) 3.389 5.884 ( -3.059 0.000 0.342) 3.078 5.983 ( -0.066 0.000 2.231) 2.232 5.997 ( -8.502 0.000 -4.217) 9.490 6.244 ( -1.560 0.000 6.874) 7.049 6.250 ( -6.970 0.000 2.278) 7.333 6.430 ( -5.792 0.000 14.079) 15.224 6.558 ( -0.730 0.000 6.211) 6.254 7.066 ( -0.078 0.000 0.320) 0.329 7.112 ( -2.246 0.000 -1.311) 2.601 7.183 ( -3.644 0.000 1.261) 3.856 7.290 ( -6.307 0.000 -3.728) 7.327 7.443 ( -0.824 0.000 1.746) 1.930 7.686 ( -0.952 0.000 -6.005) 6.080 7.700 ( 1.571 0.000 -3.284) 3.640 7.858 ( 1.476 0.000 -2.267) 2.705 8.415 ( 0.660 0.000 10.883) 10.903 8.471 ( 3.290 0.000 -1.696) 3.701 8.591 ( 4.382 0.000 6.627) 7.945 8.628 ( 4.564 0.000 -3.295) 5.630 9.195 ( -5.029 0.000 -0.294) 5.038 9.479 ( -7.475 0.000 0.919) 7.531 9.480 ( -4.600 0.000 -4.435) 6.389 9.639 ( -9.404 0.000 -0.271) 9.408 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -7.999 0.000 13.580) 15.760 0.466 ( -13.210 0.000 9.766) 16.428 0.752 ( -11.945 0.000 1.492) 12.038 0.832 ( -21.242 0.000 -0.942) 21.263 0.869 ( -20.757 0.000 15.826) 26.102 1.025 ( -7.974 0.000 -0.368) 7.982 1.035 ( -3.761 0.000 4.326) 5.733 1.094 ( -2.413 0.000 -0.460) 2.457 1.133 ( -1.992 0.000 -3.759) 4.254 1.146 ( -1.513 0.000 1.549) 2.165 1.295 ( -1.415 0.000 -0.163) 1.424 1.312 ( -2.630 0.000 -0.426) 2.664 1.355 ( -3.497 0.000 0.409) 3.521 1.382 ( -8.403 0.000 2.198) 8.685 1.435 ( -0.575 0.000 -2.377) 2.446 1.472 ( 0.072 0.000 1.626) 1.627 1.523 ( -1.924 0.000 0.328) 1.952 1.569 ( 0.201 0.000 0.104) 0.227 1.648 ( -0.308 0.000 -1.641) 1.670 1.676 ( -2.584 0.000 6.135) 6.657 1.707 ( -2.122 0.000 2.492) 3.273 1.725 ( 0.181 0.000 0.137) 0.227 1.784 ( -0.584 0.000 1.397) 1.514 1.951 ( 1.365 0.000 4.912) 5.098 2.016 ( 0.951 0.000 2.064) 2.272 2.191 ( 1.344 0.000 1.742) 2.200 2.291 ( -0.106 0.000 -2.244) 2.246 2.478 ( -5.147 0.000 -0.515) 5.172 2.551 ( -2.773 0.000 -0.190) 2.779 2.653 ( -2.719 0.000 -0.145) 2.723 2.693 ( -6.192 0.000 -3.124) 6.936 2.705 ( -1.145 0.000 -2.492) 2.742 2.833 ( -5.436 0.000 -0.460) 5.456 2.851 ( -3.517 0.000 1.125) 3.693 3.094 ( -3.533 0.000 -4.775) 5.940 3.228 ( -1.724 0.000 -4.315) 4.646 4.037 ( -32.829 0.000 -1.114) 32.848 4.152 ( -30.338 0.000 -0.071) 30.338 4.270 ( -7.181 0.000 0.875) 7.234 4.275 ( -17.644 0.000 0.429) 17.650 4.364 ( -21.262 0.000 -7.632) 22.590 4.750 ( -13.076 0.000 6.473) 14.591 4.945 ( -4.965 0.000 -2.458) 5.540 5.116 ( -5.448 0.000 -11.929) 13.114 5.168 ( 10.537 0.000 1.077) 10.592 5.557 ( 2.889 0.000 2.029) 3.530 5.634 ( -2.165 0.000 5.505) 5.915 5.640 ( 2.252 0.000 -8.879) 9.160 5.726 ( -2.595 0.000 -4.884) 5.531 5.845 ( -2.378 0.000 -5.494) 5.986 5.871 ( -4.398 0.000 -5.550) 7.081 6.109 ( 10.896 0.000 8.493) 13.815 6.126 ( -5.375 0.000 4.060) 6.737 6.193 ( -4.054 0.000 6.172) 7.385 6.382 ( 2.617 0.000 17.197) 17.395 6.537 ( -1.649 0.000 5.097) 5.358 7.075 ( -1.472 0.000 -1.084) 1.828 7.087 ( 1.303 0.000 -0.394) 1.361 7.127 ( -2.379 0.000 1.519) 2.822 7.190 ( -3.358 0.000 -3.672) 4.976 7.427 ( -0.699 0.000 1.733) 1.869 7.683 ( 1.040 0.000 -5.284) 5.385 7.729 ( 1.399 0.000 -2.925) 3.243 7.900 ( 2.976 0.000 -3.945) 4.942 8.403 ( -2.902 0.000 10.321) 10.722 8.540 ( 3.860 0.000 -1.421) 4.113 8.693 ( 5.258 0.000 7.164) 8.886 8.744 ( 7.444 0.000 -4.149) 8.522 9.129 ( -1.679 0.000 -0.532) 1.762 9.328 ( -12.034 0.000 -10.292) 15.834 9.342 ( -6.516 0.000 1.169) 6.620 9.453 ( -9.728 0.000 0.423) 9.737 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( 2.344 2.213 4.980) 5.932 0.292 ( -3.333 6.447 3.942) 8.259 0.524 ( 2.554 -1.132 1.281) 3.073 0.659 ( 0.161 1.629 1.119) 1.983 0.767 ( -6.436 3.622 7.286) 10.374 0.893 ( 1.088 -8.452 -3.479) 9.205 0.932 ( -1.320 3.645 10.186) 10.899 1.030 ( 0.966 0.082 1.512) 1.796 1.128 ( -0.390 -3.917 1.957) 4.396 1.159 ( -0.827 5.811 4.763) 7.559 1.259 ( -0.153 -2.485 0.175) 2.496 1.275 ( -0.910 0.551 -1.240) 1.634 1.335 ( -0.379 5.973 -0.070) 5.986 1.392 ( -0.044 0.924 -0.192) 0.944 1.423 ( -0.323 0.368 -2.237) 2.290 1.472 ( 0.222 -0.005 -1.074) 1.097 1.519 ( -1.187 -0.338 1.229) 1.742 1.567 ( 1.000 0.171 1.313) 1.660 1.634 ( -0.329 -1.436 3.774) 4.051 1.659 ( -1.017 1.082 0.102) 1.488 1.678 ( -0.084 2.100 -0.198) 2.111 1.745 ( 0.098 -0.841 2.276) 2.428 1.795 ( 0.891 -1.327 1.269) 2.041 1.853 ( -1.942 -8.258 7.879) 11.578 2.061 ( 0.838 1.495 0.322) 1.744 2.160 ( 0.384 -3.268 1.241) 3.517 2.350 ( 1.159 4.747 0.504) 4.913 2.420 ( 0.320 0.337 1.090) 1.185 2.514 ( 1.704 -3.676 -1.092) 4.196 2.515 ( -0.700 -0.391 -0.745) 1.094 2.611 ( -1.096 -3.016 -0.156) 3.213 2.669 ( 1.269 -5.608 1.353) 5.907 2.821 ( -0.267 5.025 -4.422) 6.699 2.891 ( -0.340 3.789 -3.254) 5.006 3.074 ( 0.078 1.935 -4.524) 4.921 3.189 ( -0.363 -1.623 -4.445) 4.746 3.643 ( -1.071 1.102 0.051) 1.538 3.713 ( -1.862 -1.583 2.556) 3.537 4.075 ( -0.010 2.336 -0.843) 2.484 4.136 ( 0.218 0.477 -5.326) 5.352 4.641 ( 3.216 17.778 -10.727) 21.011 4.683 ( -4.487 7.325 1.357) 8.696 4.966 ( 0.118 0.335 -2.354) 2.380 4.985 ( -2.426 -1.863 -2.197) 3.767 5.160 ( -1.019 -9.968 1.405) 10.118 5.304 ( -1.746 -10.299 -2.066) 10.648 5.634 ( -5.528 2.085 -9.230) 10.959 5.679 ( -1.192 -3.429 -2.455) 4.382 5.747 ( 5.058 -0.584 -0.132) 5.093 5.780 ( 1.988 0.489 0.122) 2.051 5.915 ( 3.015 4.068 -0.671) 5.107 6.042 ( 0.803 1.094 -3.706) 3.947 6.147 ( -2.176 1.875 4.771) 5.569 6.210 ( 0.613 -3.090 8.013) 8.610 6.410 ( 2.023 1.097 18.323) 18.467 6.701 ( 3.174 -0.521 4.237) 5.320 6.936 ( -0.299 -7.469 2.243) 7.804 7.003 ( 0.396 -5.395 2.439) 5.934 7.154 ( -1.430 4.060 -4.223) 6.030 7.253 ( 0.861 0.649 -3.510) 3.672 7.556 ( 7.599 7.159 -9.085) 13.840 7.723 ( 3.943 -0.325 -5.354) 6.657 7.760 ( -0.726 2.418 -3.763) 4.532 7.923 ( 0.011 -3.646 -4.567) 5.843 8.247 ( -19.331 -2.618 8.394) 21.237 8.303 ( -7.711 -2.082 6.634) 10.383 8.712 ( -2.510 4.750 -0.077) 5.373 8.847 ( 3.763 -2.173 -1.180) 4.503 9.142 ( 1.761 0.997 0.763) 2.163 9.211 ( 4.122 -2.328 1.072) 4.854 9.283 ( -1.083 1.740 -0.181) 2.058 9.335 ( -2.098 0.204 -1.930) 2.858 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.279 ( 6.421 4.472 5.519) 9.575 0.509 ( 10.649 6.366 6.948) 14.219 0.678 ( 5.358 -2.556 3.519) 6.901 0.783 ( 11.782 0.610 -2.035) 11.972 0.919 ( 18.026 -4.171 -3.462) 18.823 0.967 ( 4.393 2.377 7.807) 9.268 1.022 ( 14.172 -3.582 -0.483) 14.626 1.075 ( 2.690 -0.758 2.777) 3.940 1.143 ( 0.907 -0.321 1.870) 2.103 1.175 ( 4.217 3.785 2.895) 6.363 1.270 ( 1.020 1.069 -2.576) 2.969 1.303 ( 4.547 -2.364 -0.546) 5.154 1.353 ( 3.480 3.963 -0.231) 5.279 1.394 ( 0.744 1.084 1.028) 1.669 1.422 ( 0.474 0.704 -3.755) 3.850 1.489 ( 0.530 -0.223 -0.988) 1.143 1.513 ( 2.069 -1.922 4.156) 5.025 1.598 ( 1.680 1.813 1.362) 2.822 1.638 ( 0.373 -0.597 2.461) 2.560 1.654 ( 0.769 2.635 -0.849) 2.874 1.683 ( 0.892 -0.738 2.106) 2.403 1.755 ( 1.896 0.096 0.910) 2.105 1.802 ( 0.103 -1.215 2.105) 2.433 1.846 ( 0.679 -5.047 6.163) 7.995 2.057 ( -1.148 0.315 1.151) 1.656 2.151 ( -1.667 -3.559 2.080) 4.447 2.362 ( 0.298 5.530 1.414) 5.715 2.481 ( 3.982 -0.716 1.815) 4.435 2.519 ( 2.624 0.343 -2.022) 3.330 2.591 ( 4.840 -4.728 0.112) 6.767 2.627 ( 2.898 -3.031 -1.702) 4.526 2.722 ( 2.663 -6.248 1.472) 6.950 2.852 ( 3.406 5.546 -4.496) 7.910 2.933 ( 4.442 3.109 -3.934) 6.699 3.097 ( 2.214 1.611 -4.485) 5.255 3.198 ( 1.639 -1.462 -4.564) 5.065 4.005 ( 33.079 0.906 -1.683) 33.134 4.085 ( 35.879 -2.344 0.952) 35.968 4.333 ( 20.930 3.397 -0.430) 21.208 4.359 ( 16.796 5.355 -8.390) 19.524 4.592 ( -3.800 6.452 -0.178) 7.490 4.720 ( 12.818 8.350 0.920) 15.326 4.956 ( 4.624 -1.908 -4.904) 7.005 5.011 ( 2.367 0.821 -2.568) 3.587 5.059 ( -7.296 -6.631 0.713) 9.885 5.279 ( -1.231 -5.767 -3.151) 6.686 5.564 ( 0.468 2.374 -6.508) 6.943 5.689 ( 1.185 -2.474 -3.157) 4.183 5.769 ( 0.547 -3.960 0.898) 4.097 5.856 ( 3.717 -5.006 -3.046) 6.940 5.998 ( 4.536 4.231 -0.653) 6.237 6.064 ( 1.819 3.339 -2.184) 4.385 6.122 ( -0.407 4.253 8.518) 9.529 6.252 ( 2.887 -4.562 5.645) 7.811 6.446 ( 1.646 2.110 14.296) 14.544 6.664 ( -7.134 -1.380 10.556) 12.815 6.946 ( 1.386 -4.226 1.079) 4.576 7.028 ( 1.948 -5.325 3.131) 6.477 7.141 ( 0.397 4.207 -4.296) 6.026 7.290 ( 2.915 -1.649 -3.250) 4.666 7.620 ( -7.159 10.557 -3.533) 13.235 7.720 ( 1.300 4.605 -6.775) 8.295 7.762 ( -0.247 0.937 -2.214) 2.417 7.873 ( 1.411 -1.710 1.840) 2.881 8.062 ( 1.507 0.429 -3.691) 4.010 8.186 ( -4.803 -3.056 2.030) 6.043 8.651 ( -4.117 4.784 1.996) 6.620 8.837 ( -4.304 -2.828 2.044) 5.541 9.189 ( 3.124 1.172 1.916) 3.848 9.250 ( 3.964 -1.011 -1.324) 4.300 9.381 ( 8.827 -0.154 -2.124) 9.081 9.440 ( 7.945 -2.951 -2.707) 8.898 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( 9.890 -0.568 4.084) 10.715 0.679 ( 8.105 5.222 5.825) 11.264 0.760 ( 3.293 -8.296 -0.542) 8.942 0.954 ( 6.550 -2.129 -3.403) 7.682 1.025 ( 1.840 -2.094 6.038) 6.650 1.115 ( 0.456 3.738 3.030) 4.833 1.123 ( 2.382 -3.211 2.577) 4.757 1.200 ( 3.907 0.697 0.935) 4.077 1.279 ( 2.850 -0.649 -3.566) 4.611 1.298 ( 2.134 -1.019 -0.399) 2.398 1.320 ( 9.638 1.891 -1.229) 9.898 1.366 ( 4.221 1.825 -0.401) 4.616 1.418 ( -0.133 -0.235 -3.212) 3.223 1.464 ( 6.876 1.593 -0.810) 7.105 1.473 ( 4.304 0.362 1.824) 4.688 1.544 ( 4.369 1.009 0.281) 4.492 1.587 ( 5.065 -3.366 1.232) 6.205 1.633 ( -0.442 -0.801 2.262) 2.440 1.663 ( 6.760 4.488 0.635) 8.139 1.699 ( 4.135 1.218 -1.320) 4.508 1.757 ( 8.836 0.713 2.658) 9.255 1.785 ( 0.505 0.353 0.348) 0.707 1.878 ( 8.655 -1.534 3.848) 9.595 1.881 ( 2.880 -0.942 4.034) 5.045 2.030 ( -1.334 -0.685 3.676) 3.970 2.112 ( -1.572 -3.988 2.230) 4.832 2.375 ( 1.389 5.762 1.149) 6.037 2.539 ( 3.253 -1.949 -1.104) 3.950 2.607 ( 5.320 -0.151 0.054) 5.323 2.670 ( 3.446 -2.425 -0.831) 4.295 2.712 ( 5.168 -4.555 -2.059) 7.190 2.780 ( 4.365 -6.651 2.515) 8.344 2.929 ( 4.443 6.001 -4.111) 8.523 3.040 ( 6.624 3.166 -3.749) 8.243 3.152 ( 3.683 1.264 -4.392) 5.869 3.248 ( 3.782 -1.288 -4.514) 6.028 4.352 ( -4.790 6.089 -3.665) 8.570 4.431 ( 1.285 2.479 -3.347) 4.358 4.492 ( 1.363 1.375 2.470) 3.138 4.583 ( 3.276 3.325 -5.379) 7.122 4.863 ( -3.280 1.191 2.678) 4.399 5.031 ( 29.405 0.421 0.979) 29.424 5.183 ( 15.717 -0.355 -7.167) 17.278 5.234 ( 24.820 -1.208 -1.417) 24.889 5.296 ( 24.552 -2.472 0.029) 24.676 5.342 ( 24.100 0.039 -3.892) 24.412 5.639 ( 0.452 -1.171 -5.916) 6.048 5.733 ( 12.699 0.610 0.851) 12.742 5.855 ( 8.801 -8.769 -3.202) 12.829 5.935 ( 7.871 -5.735 2.577) 10.074 6.066 ( 2.886 2.057 -0.855) 3.646 6.113 ( 3.290 3.139 -1.998) 4.966 6.135 ( 1.260 1.370 10.025) 10.196 6.275 ( -1.528 -3.426 4.319) 5.721 6.506 ( 3.921 4.559 10.102) 11.757 6.569 ( -0.650 5.364 12.366) 13.495 6.984 ( 2.568 -2.801 0.356) 3.817 7.078 ( 3.159 -5.453 2.795) 6.894 7.161 ( 1.859 4.749 -3.775) 6.345 7.349 ( 3.318 -2.435 -3.710) 5.541 7.511 ( -2.640 7.334 1.795) 7.999 7.704 ( -0.942 0.172 -2.433) 2.614 7.784 ( 0.633 3.821 -5.267) 6.537 7.924 ( 1.610 -2.260 0.281) 2.789 8.115 ( 2.665 -1.143 0.907) 3.038 8.159 ( 2.851 -2.546 -9.460) 10.203 8.566 ( -4.484 4.336 2.150) 6.598 8.737 ( -5.426 -2.483 3.044) 6.699 9.261 ( 4.260 1.476 2.337) 5.078 9.363 ( 6.793 -2.607 -1.059) 7.353 9.548 ( 6.119 0.006 -1.231) 6.242 9.582 ( 9.454 -0.616 -3.210) 10.004 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 8.587 -3.949 3.211) 9.982 0.772 ( 2.312 -6.045 -1.935) 6.755 0.863 ( 6.343 -0.210 4.444) 7.747 1.037 ( 2.999 2.237 1.552) 4.050 1.043 ( -0.363 -3.858 4.274) 5.769 1.111 ( -0.299 2.100 1.128) 2.402 1.168 ( 2.077 -2.628 1.541) 3.687 1.224 ( -0.001 0.625 1.416) 1.548 1.244 ( -3.267 -1.395 -2.121) 4.137 1.297 ( -1.754 -1.397 -0.205) 2.251 1.391 ( -1.374 1.781 -2.529) 3.384 1.398 ( 0.350 1.861 0.065) 1.894 1.482 ( 4.779 -0.490 0.087) 4.805 1.518 ( 1.385 -0.382 -0.331) 1.475 1.537 ( 0.411 1.341 0.206) 1.418 1.593 ( 1.191 0.126 0.751) 1.414 1.634 ( 1.443 -0.548 -1.257) 1.991 1.657 ( 2.005 -1.470 2.386) 3.446 1.738 ( 2.301 2.963 -1.402) 4.004 1.781 ( 0.753 3.469 1.416) 3.822 1.879 ( -0.083 -0.237 0.909) 0.944 1.920 ( 10.123 1.406 0.634) 10.240 1.984 ( 3.654 -1.569 3.846) 5.532 2.027 ( 6.388 1.436 2.572) 7.035 2.070 ( 8.899 -2.704 3.808) 10.050 2.158 ( 6.818 -2.879 1.635) 7.579 2.428 ( 4.091 6.695 1.255) 7.946 2.609 ( 3.868 -1.944 -1.483) 4.576 2.698 ( 3.965 0.463 0.740) 4.060 2.733 ( 3.430 -2.226 -1.743) 4.445 2.790 ( 3.301 -4.203 -1.325) 5.506 2.895 ( 6.532 -7.347 2.495) 10.142 3.005 ( 3.610 5.911 -3.711) 7.858 3.158 ( 5.433 1.480 -3.556) 6.660 3.225 ( 4.040 2.365 -3.536) 5.866 3.329 ( 4.564 -0.868 -4.290) 6.324 4.222 ( -6.486 6.047 -2.816) 9.304 4.350 ( -6.612 2.015 -1.563) 7.087 4.449 ( -4.608 -1.968 0.400) 5.026 4.496 ( -8.012 -3.689 -1.725) 8.988 4.844 ( 2.466 9.207 -2.537) 9.863 5.141 ( -1.815 2.915 0.101) 3.436 5.360 ( 5.174 -1.147 -9.596) 10.962 5.533 ( -2.183 3.546 3.465) 5.417 5.688 ( 10.933 -6.771 -0.694) 12.879 5.795 ( 8.486 -5.975 -5.234) 11.623 5.854 ( 16.672 -1.375 2.588) 16.928 5.929 ( 13.680 -6.971 1.736) 15.452 6.092 ( 3.099 1.542 1.835) 3.918 6.149 ( 1.740 0.336 -4.127) 4.492 6.189 ( 8.243 1.633 4.739) 9.647 6.230 ( 19.303 1.735 3.007) 19.612 6.274 ( 6.742 -0.993 2.987) 7.440 6.313 ( 19.294 -2.512 0.411) 19.461 6.604 ( 7.016 5.864 6.799) 11.394 6.681 ( 11.856 4.372 12.017) 17.438 7.046 ( 3.981 -2.511 -0.080) 4.707 7.157 ( 5.047 -5.502 2.168) 7.774 7.212 ( 4.190 4.370 -3.038) 6.773 7.401 ( 1.674 -3.628 -2.889) 4.930 7.504 ( 1.963 5.809 -0.828) 6.187 7.704 ( 0.837 -1.596 -2.585) 3.151 7.777 ( -0.932 3.616 -4.678) 5.986 7.925 ( -1.011 -2.998 1.184) 3.379 8.180 ( 4.172 -0.222 -0.539) 4.212 8.234 ( 4.389 -2.122 -5.627) 7.445 8.498 ( -2.612 4.401 1.371) 5.298 8.650 ( -3.830 -2.007 2.805) 5.154 9.343 ( 3.898 1.582 2.187) 4.741 9.468 ( 3.845 -4.364 0.891) 5.884 9.646 ( 4.971 3.698 -1.288) 6.328 9.752 ( 7.710 -1.430 -2.495) 8.229 ======================= Grid point 58 (29/96) ======================= q-point: ( 0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 4.655 -4.632 0.571) 6.592 0.816 ( 2.735 -6.984 0.072) 7.501 0.934 ( 0.869 -1.457 2.352) 2.900 1.017 ( -2.178 -2.513 6.132) 6.976 1.078 ( -1.888 2.612 3.949) 5.098 1.116 ( 3.506 2.310 0.612) 4.243 1.181 ( -1.967 -2.432 -2.032) 3.730 1.220 ( -0.302 0.193 1.252) 1.302 1.221 ( 2.264 -2.097 1.745) 3.545 1.254 ( -1.556 -1.205 -0.083) 1.970 1.361 ( -1.148 3.927 -1.140) 4.247 1.408 ( 0.601 1.515 -0.981) 1.903 1.514 ( -0.401 1.901 -1.139) 2.252 1.524 ( -0.038 -0.353 -0.869) 0.939 1.550 ( 0.814 -2.422 0.875) 2.701 1.592 ( -0.941 -0.850 0.275) 1.298 1.678 ( 3.109 -0.136 -0.051) 3.113 1.694 ( 1.129 -0.491 1.102) 1.653 1.753 ( -0.810 2.778 1.413) 3.220 1.794 ( 1.226 3.057 -0.016) 3.294 1.862 ( -1.477 -0.001 1.115) 1.850 1.955 ( -0.945 -2.889 3.192) 4.408 2.045 ( 2.335 2.233 0.265) 3.242 2.165 ( 3.742 1.833 3.763) 5.615 2.203 ( 3.927 -2.769 2.202) 5.286 2.288 ( 4.839 -1.520 0.948) 5.160 2.502 ( 2.483 5.254 0.599) 5.842 2.667 ( 1.833 -1.506 -0.837) 2.516 2.748 ( 0.978 1.847 0.268) 2.106 2.787 ( 1.784 -2.539 -1.369) 3.392 2.838 ( 1.940 -3.490 -0.559) 4.032 2.994 ( 3.154 -7.126 2.425) 8.162 3.057 ( 1.926 5.626 -3.293) 6.798 3.228 ( 2.174 -0.836 -3.438) 4.153 3.288 ( 2.189 4.222 -2.333) 5.297 3.397 ( 2.322 -0.606 -4.036) 4.696 4.137 ( -2.002 5.669 -2.638) 6.565 4.246 ( -3.423 2.169 -0.786) 4.128 4.358 ( -3.513 -2.578 -0.546) 4.391 4.378 ( -3.313 -3.281 -0.753) 4.723 4.920 ( 4.937 7.408 -2.088) 9.144 5.087 ( -3.646 5.109 -1.255) 6.401 5.420 ( 2.378 0.607 -7.776) 8.154 5.490 ( -1.635 0.803 2.511) 3.102 5.806 ( -1.192 -9.848 -6.393) 11.802 5.822 ( 3.862 -4.191 1.778) 5.970 5.969 ( 0.719 -7.103 6.030) 9.345 6.063 ( 0.653 -4.743 6.701) 8.236 6.128 ( -0.010 2.739 -3.850) 4.725 6.155 ( 1.203 2.724 1.474) 3.323 6.362 ( 5.696 2.437 1.760) 6.441 6.394 ( 3.931 1.635 0.858) 4.343 6.470 ( 4.060 4.550 4.316) 7.471 6.559 ( 6.934 -0.304 4.316) 8.173 6.771 ( 6.521 2.920 3.019) 7.757 6.920 ( 6.872 -1.355 4.827) 8.506 7.137 ( 5.347 -1.152 0.379) 5.483 7.249 ( 4.194 -1.656 2.080) 4.966 7.303 ( 2.269 -0.008 -0.260) 2.284 7.404 ( 0.373 -2.327 -0.665) 2.449 7.584 ( 5.289 3.910 -5.262) 8.423 7.711 ( -0.768 -1.329 -3.491) 3.814 7.748 ( -1.484 2.873 -4.999) 5.954 7.894 ( -2.246 -3.417 0.536) 4.124 8.262 ( 4.259 0.108 1.304) 4.455 8.309 ( 3.857 -1.628 -1.387) 4.410 8.468 ( -0.767 4.170 0.894) 4.333 8.594 ( -2.232 -1.501 2.000) 3.352 9.397 ( 1.386 1.348 1.795) 2.638 9.510 ( 0.745 -4.043 2.138) 4.634 9.723 ( 2.763 4.368 -1.069) 5.277 9.855 ( 3.118 -1.774 -1.905) 4.062 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -0.842 -3.111 -0.852) 3.333 0.865 ( 1.061 -6.670 1.127) 6.847 0.908 ( -3.265 -1.078 3.322) 4.781 0.986 ( -1.030 -2.016 5.923) 6.341 1.025 ( -2.607 0.118 2.673) 3.736 1.152 ( 0.096 -0.470 -1.477) 1.553 1.184 ( 0.764 0.300 1.429) 1.648 1.213 ( 1.414 -2.025 2.582) 3.573 1.252 ( 1.127 -0.559 -0.307) 1.295 1.281 ( 2.682 -2.160 2.476) 4.242 1.352 ( 0.204 5.196 -0.751) 5.254 1.422 ( 1.010 2.163 -1.553) 2.848 1.501 ( -0.668 2.362 -1.358) 2.805 1.523 ( 0.020 -0.462 0.386) 0.602 1.556 ( -0.114 -1.664 0.169) 1.676 1.584 ( 0.240 -1.742 -0.588) 1.854 1.672 ( -2.996 1.217 -0.112) 3.236 1.708 ( -0.445 0.137 0.966) 1.072 1.771 ( 2.195 0.505 1.050) 2.485 1.800 ( -1.450 -0.093 3.153) 3.472 1.842 ( 0.928 2.246 -0.941) 2.606 1.958 ( 0.409 -2.526 2.377) 3.493 2.044 ( -2.447 2.197 0.236) 3.297 2.168 ( -3.689 2.978 4.271) 6.381 2.199 ( -4.499 -2.505 2.831) 5.876 2.312 ( -2.368 -1.037 2.038) 3.292 2.490 ( -3.856 3.023 0.086) 4.901 2.667 ( -1.806 -2.935 -1.250) 3.665 2.735 ( -1.809 2.253 -0.619) 2.955 2.784 ( -2.019 -2.389 -1.358) 3.410 2.854 ( -0.741 -2.277 0.321) 2.416 3.003 ( -2.355 -6.510 2.737) 7.444 3.067 ( -0.754 5.760 -2.968) 6.523 3.238 ( -1.047 -0.483 -2.812) 3.040 3.291 ( -1.550 3.720 -2.186) 4.584 3.400 ( -1.784 -0.652 -3.948) 4.381 4.144 ( 2.550 6.213 -2.355) 7.117 4.237 ( 2.536 2.375 -0.466) 3.506 4.365 ( 4.656 -1.972 -0.592) 5.091 4.376 ( 3.202 -2.203 -1.506) 4.169 5.001 ( -2.641 5.877 -0.278) 6.449 5.018 ( 2.695 3.604 -2.245) 5.029 5.459 ( 2.137 3.319 -1.783) 4.332 5.474 ( -0.154 -3.076 -3.687) 4.804 5.772 ( -1.587 -8.534 -0.249) 8.684 5.862 ( 0.356 -0.095 -0.988) 1.055 5.971 ( -1.108 -7.470 1.586) 7.717 6.042 ( -2.456 -1.115 2.988) 4.025 6.104 ( -2.138 -0.171 -0.541) 2.212 6.180 ( 0.857 0.968 4.098) 4.297 6.334 ( -8.798 2.752 1.173) 9.293 6.377 ( -5.976 0.705 1.239) 6.144 6.507 ( -0.642 3.522 4.261) 5.565 6.585 ( -4.503 -0.521 4.087) 6.104 6.754 ( -8.716 2.398 2.403) 9.354 6.898 ( -8.966 -1.453 4.001) 9.925 7.154 ( -4.403 -1.642 1.199) 4.850 7.246 ( -5.495 -1.676 1.574) 5.956 7.313 ( 1.473 0.597 0.875) 1.814 7.422 ( 0.056 -0.639 0.178) 0.666 7.611 ( -3.837 1.006 -6.315) 7.458 7.652 ( -3.632 0.456 -4.521) 5.817 7.748 ( 1.535 1.968 -4.724) 5.342 7.856 ( -1.344 -3.013 -0.081) 3.300 8.332 ( 2.893 0.313 3.922) 4.883 8.382 ( 3.700 -1.178 0.810) 3.966 8.467 ( 0.812 3.361 0.860) 3.563 8.566 ( -0.844 -1.149 0.903) 1.687 9.389 ( -2.413 1.314 1.359) 3.065 9.504 ( -1.550 -4.159 1.899) 4.828 9.738 ( -1.225 4.282 -0.510) 4.483 9.865 ( -1.959 -1.612 -1.433) 2.913 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -6.686 -1.460 1.231) 6.954 0.813 ( -4.865 1.873 5.871) 7.851 0.861 ( -3.004 -8.015 0.407) 8.569 0.979 ( -0.247 -1.939 3.708) 4.191 1.007 ( 0.104 -3.052 2.641) 4.037 1.150 ( -0.774 -1.676 0.178) 1.855 1.184 ( -0.282 -0.584 1.377) 1.522 1.240 ( 0.358 -1.033 3.021) 3.213 1.279 ( 1.674 -0.753 -1.918) 2.655 1.325 ( 1.440 -0.082 2.169) 2.605 1.363 ( 1.247 3.838 -0.304) 4.047 1.440 ( 0.193 2.572 -2.132) 3.346 1.485 ( -2.069 1.383 -0.274) 2.503 1.514 ( -1.336 -0.416 1.794) 2.275 1.548 ( -0.911 -0.854 -0.855) 1.513 1.581 ( -1.297 -1.616 -0.508) 2.133 1.618 ( -1.563 1.109 -0.430) 1.964 1.684 ( -1.189 0.523 1.241) 1.797 1.762 ( -1.782 0.566 0.592) 1.961 1.792 ( -1.761 0.953 1.204) 2.337 1.883 ( 1.965 0.437 0.088) 2.015 1.919 ( -9.052 0.983 3.106) 9.621 1.947 ( -5.370 -0.299 1.455) 5.571 2.032 ( -8.836 3.024 3.397) 9.937 2.062 ( -8.917 -1.261 5.002) 10.301 2.222 ( -6.050 -2.163 3.886) 7.509 2.390 ( -5.219 3.075 -0.518) 6.080 2.607 ( -4.006 -5.709 -1.951) 7.242 2.690 ( -3.220 1.637 -0.845) 3.710 2.722 ( -3.626 -1.672 -1.951) 4.444 2.803 ( -4.529 -2.079 0.475) 5.006 2.922 ( -5.709 -5.945 3.087) 8.801 3.028 ( -3.014 6.507 -2.959) 7.758 3.176 ( -5.298 2.741 -2.145) 6.339 3.246 ( -2.831 0.717 -2.727) 3.996 3.336 ( -4.155 -0.917 -4.126) 5.927 4.220 ( 5.435 8.557 -2.713) 10.494 4.325 ( 6.011 2.424 -0.391) 6.493 4.469 ( 5.709 -1.206 -3.221) 6.665 4.526 ( 10.972 -2.090 0.290) 11.173 4.908 ( -5.033 6.523 -2.158) 8.517 5.096 ( 3.114 -1.621 1.464) 3.803 5.457 ( -1.523 -2.070 -2.306) 3.452 5.504 ( 1.660 -0.525 -4.038) 4.397 5.735 ( -5.225 -4.568 5.569) 8.898 5.818 ( -8.495 0.685 -4.711) 9.737 5.897 ( -6.814 -1.080 -0.488) 6.917 5.959 ( -9.067 4.504 -0.568) 10.140 6.010 ( -13.935 -1.054 1.758) 14.085 6.066 ( -9.711 1.356 3.719) 10.487 6.143 ( -16.622 -2.852 -2.340) 17.027 6.183 ( -7.105 -1.031 2.105) 7.482 6.287 ( -25.772 -1.846 -1.146) 25.863 6.358 ( -13.920 -5.320 3.915) 15.407 6.581 ( -6.311 4.721 7.192) 10.670 6.694 ( -6.642 4.017 10.040) 12.690 7.053 ( -5.102 -3.330 0.731) 6.136 7.144 ( -4.792 -3.539 0.684) 5.997 7.278 ( -3.560 3.248 -0.160) 4.822 7.433 ( 0.713 -0.623 0.749) 1.207 7.476 ( -7.399 2.498 -5.213) 9.389 7.621 ( -0.360 -3.147 -4.678) 5.649 7.760 ( -0.103 2.460 -4.198) 4.867 7.844 ( 0.175 -1.023 -1.221) 1.603 8.380 ( 2.045 0.590 5.236) 5.652 8.433 ( 1.700 -0.154 1.383) 2.197 8.515 ( 3.929 1.181 2.926) 5.039 8.568 ( 1.281 -0.832 -0.392) 1.577 9.313 ( -5.266 1.471 0.668) 5.509 9.451 ( -4.102 -5.277 0.455) 6.699 9.681 ( -4.617 4.131 -0.158) 6.197 9.785 ( -6.214 -1.033 -0.908) 6.365 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -9.571 -0.091 4.345) 10.511 0.707 ( -7.015 4.278 7.702) 11.261 0.784 ( -5.157 -9.658 -0.402) 10.956 0.959 ( -2.340 -4.834 0.474) 5.392 1.011 ( -0.147 -2.897 3.787) 4.770 1.108 ( -3.911 -0.787 2.016) 4.470 1.172 ( -1.434 -2.687 2.166) 3.737 1.219 ( -4.207 0.399 3.054) 5.214 1.289 ( -3.985 2.612 -3.503) 5.914 1.305 ( -6.431 0.639 0.502) 6.482 1.344 ( -5.701 2.856 -0.571) 6.402 1.379 ( -1.684 3.439 1.030) 3.965 1.431 ( -2.981 0.318 0.179) 3.003 1.456 ( -5.874 -2.364 -2.266) 6.725 1.512 ( -4.250 0.019 -0.997) 4.365 1.557 ( -1.741 2.788 1.340) 3.549 1.569 ( -3.621 -0.930 0.986) 3.866 1.660 ( -7.549 3.734 4.657) 9.624 1.684 ( 0.101 -0.131 0.974) 0.988 1.704 ( -5.134 1.137 -0.161) 5.261 1.747 ( -4.533 -0.095 -0.311) 4.545 1.792 ( -7.007 1.682 5.055) 8.802 1.853 ( -7.539 -2.046 2.344) 8.156 1.922 ( -1.657 -2.204 5.555) 6.202 1.995 ( 1.646 2.140 2.647) 3.781 2.142 ( -2.009 -3.752 3.436) 5.470 2.328 ( -1.254 2.574 -1.936) 3.456 2.526 ( -4.103 -7.070 -1.447) 8.302 2.610 ( -4.675 1.081 -1.476) 5.020 2.653 ( -4.473 -0.222 -1.480) 4.717 2.711 ( -4.053 -2.576 0.278) 4.810 2.812 ( -5.713 -5.493 2.782) 8.400 2.956 ( -4.292 6.884 -3.142) 8.700 3.057 ( -6.572 4.014 -2.175) 8.003 3.178 ( -4.066 0.306 -3.289) 5.238 3.261 ( -3.182 -1.409 -4.112) 5.387 4.335 ( 6.408 11.812 -4.607) 14.206 4.414 ( 0.642 0.879 -0.014) 1.089 4.483 ( -9.351 -0.130 -3.635) 10.034 4.693 ( 2.187 3.352 -1.042) 4.136 4.869 ( 3.997 1.213 0.690) 4.233 4.998 ( -23.573 -1.423 0.451) 23.620 5.270 ( -32.226 -1.646 3.247) 32.431 5.318 ( -22.740 0.628 -5.378) 23.376 5.360 ( -25.391 -3.446 3.425) 25.852 5.546 ( -9.497 -5.760 1.831) 11.257 5.575 ( -20.363 -0.003 -2.506) 20.516 5.644 ( -2.816 3.780 -5.186) 7.008 5.858 ( -4.627 -3.730 -7.308) 9.420 5.888 ( -5.327 0.795 -4.028) 6.725 5.940 ( 1.006 3.418 1.703) 3.949 6.039 ( -2.344 3.174 6.305) 7.438 6.091 ( -3.060 -9.405 0.371) 9.897 6.259 ( -2.265 -2.860 8.496) 9.247 6.479 ( -5.346 5.488 8.487) 11.434 6.643 ( -1.172 4.211 8.582) 9.631 6.977 ( -2.874 -5.302 1.345) 6.179 7.070 ( -3.285 -4.360 0.639) 5.496 7.221 ( -2.338 3.915 -1.268) 4.733 7.350 ( -5.216 2.000 -5.450) 7.804 7.443 ( 0.264 1.429 0.638) 1.587 7.621 ( 0.590 -4.056 -3.994) 5.723 7.757 ( 0.357 3.373 -4.096) 5.318 7.862 ( 1.647 -0.337 -2.114) 2.701 8.411 ( 0.557 0.131 7.242) 7.264 8.461 ( 1.193 -1.170 1.105) 2.003 8.600 ( 4.715 0.742 5.388) 7.198 8.622 ( 4.630 -0.422 -1.626) 4.925 9.208 ( -5.255 1.325 -0.373) 5.432 9.350 ( -6.398 -6.104 -1.353) 8.945 9.569 ( -7.218 3.198 -0.633) 7.920 9.640 ( -8.703 -0.262 -0.445) 8.718 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -11.010 -0.334 7.917) 13.565 0.533 ( -12.813 6.161 5.385) 15.204 0.649 ( -9.427 -8.025 0.086) 12.381 0.866 ( -14.451 2.040 0.846) 14.619 0.923 ( -8.376 -8.072 -3.286) 12.088 0.992 ( -6.825 -1.938 4.238) 8.265 1.011 ( -14.213 3.706 5.770) 15.781 1.050 ( -3.788 1.673 2.963) 5.092 1.163 ( -2.807 -3.001 2.695) 4.914 1.187 ( -3.383 5.758 4.641) 8.132 1.301 ( -1.311 3.438 -1.403) 3.937 1.320 ( -6.613 -2.076 0.074) 6.931 1.356 ( -1.599 3.684 0.234) 4.023 1.400 ( -2.241 -1.272 -2.408) 3.527 1.436 ( -1.079 0.108 0.540) 1.212 1.501 ( -2.942 1.243 -2.001) 3.769 1.525 ( -0.480 3.654 2.973) 4.735 1.583 ( -2.109 -0.418 -0.520) 2.212 1.646 ( -1.048 -3.352 4.934) 6.057 1.680 ( -0.865 2.685 1.337) 3.122 1.697 ( -3.222 1.165 2.540) 4.265 1.729 ( 1.042 -0.022 1.372) 1.723 1.785 ( -0.490 -1.390 1.152) 1.870 1.897 ( -2.298 -6.181 7.350) 9.874 2.031 ( 1.831 1.813 1.167) 2.828 2.143 ( 1.183 -3.323 1.366) 3.783 2.327 ( 0.925 2.440 -1.996) 3.285 2.461 ( -2.933 -3.783 0.100) 4.787 2.523 ( -3.635 -1.538 -1.573) 4.249 2.566 ( -3.816 1.119 -0.441) 4.001 2.652 ( -2.755 -3.359 -0.289) 4.354 2.714 ( -4.664 -4.915 2.122) 7.100 2.871 ( -4.136 6.192 -3.545) 8.247 2.944 ( -4.688 3.821 -2.595) 6.581 3.106 ( -2.911 1.466 -4.015) 5.172 3.213 ( -1.767 -1.659 -4.051) 4.721 4.017 ( -32.000 0.107 -0.854) 32.012 4.112 ( -33.076 -3.857 1.611) 33.339 4.338 ( -21.894 5.206 -1.602) 22.561 4.375 ( -17.203 3.469 -7.024) 18.903 4.589 ( -4.724 18.724 -3.299) 19.590 4.778 ( -7.963 3.067 6.551) 10.758 4.953 ( -3.466 1.200 -3.400) 5.001 5.078 ( 4.412 -6.622 -5.296) 9.559 5.088 ( -4.005 -3.193 -4.368) 6.732 5.369 ( -4.937 -15.433 3.786) 16.640 5.589 ( 6.254 1.644 1.644) 6.672 5.692 ( 4.097 -1.237 -4.714) 6.367 5.758 ( -4.488 1.495 -5.940) 7.593 5.790 ( -5.302 1.804 -5.217) 7.654 5.923 ( -2.518 0.247 -1.793) 3.101 6.043 ( -1.139 -4.889 0.297) 5.028 6.124 ( 6.433 2.025 7.427) 10.032 6.214 ( -2.534 -1.026 7.955) 8.412 6.395 ( -3.162 5.415 13.856) 15.209 6.643 ( 1.153 4.248 5.280) 6.874 6.944 ( -0.875 -7.787 2.709) 8.291 7.019 ( -2.027 -4.893 1.020) 5.393 7.185 ( -1.512 3.900 -2.725) 4.993 7.272 ( -2.649 2.587 -4.620) 5.920 7.463 ( 2.442 3.605 -1.674) 4.665 7.650 ( 3.016 -3.282 -5.293) 6.920 7.765 ( 0.427 3.565 -3.897) 5.299 7.897 ( 2.005 -0.921 -2.960) 3.692 8.392 ( -3.427 -0.735 8.684) 9.364 8.462 ( -2.501 -4.934 2.597) 6.111 8.698 ( 4.542 0.650 5.034) 6.811 8.735 ( 6.865 -0.812 -2.546) 7.367 9.137 ( -1.807 0.817 -0.687) 2.099 9.222 ( -5.990 -4.215 -2.438) 7.720 9.407 ( -9.242 2.362 -0.489) 9.551 9.468 ( -9.128 0.164 -0.894) 9.174 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 6.222 -4.902 -7.053) 10.606 0.349 ( 6.222 4.902 -7.053) 10.606 0.570 ( -3.760 -8.532 -1.779) 9.492 0.570 ( -3.760 8.532 -1.779) 9.492 0.786 ( -0.283 -1.547 2.310) 2.794 0.786 ( -0.283 1.547 2.310) 2.794 0.987 ( -1.233 -2.724 3.515) 4.615 0.987 ( -1.233 2.724 3.515) 4.615 1.186 ( 0.741 -4.792 2.264) 5.351 1.186 ( 0.741 4.792 2.264) 5.351 1.298 ( -1.052 -0.964 0.801) 1.636 1.298 ( -1.052 0.964 0.801) 1.636 1.377 ( 0.730 -5.187 2.009) 5.610 1.377 ( 0.730 5.187 2.009) 5.610 1.435 ( -3.305 -2.752 -0.643) 4.349 1.435 ( -3.305 2.752 -0.643) 4.349 1.553 ( 0.610 -5.625 0.861) 5.723 1.553 ( 0.610 5.625 0.861) 5.723 1.672 ( 0.059 -7.668 5.299) 9.321 1.672 ( 0.059 7.668 5.299) 9.321 1.689 ( -1.321 -2.197 2.128) 3.332 1.689 ( -1.321 2.197 2.128) 3.332 1.754 ( 0.805 -2.605 2.275) 3.551 1.754 ( 0.805 2.605 2.275) 3.551 2.101 ( 0.275 -2.472 0.694) 2.582 2.101 ( 0.275 2.472 0.694) 2.582 2.411 ( 2.836 -2.056 -0.593) 3.553 2.411 ( 2.836 2.056 -0.593) 3.553 2.520 ( -1.463 -4.039 1.953) 4.719 2.520 ( -1.463 4.039 1.953) 4.719 2.568 ( 0.014 -2.905 -0.306) 2.921 2.568 ( 0.014 2.905 -0.306) 2.921 2.902 ( -0.321 -2.393 -4.881) 5.445 2.902 ( -0.321 2.393 -4.881) 5.445 3.137 ( -0.200 -3.466 -4.005) 5.300 3.137 ( -0.200 3.466 -4.005) 5.300 3.675 ( -1.205 -1.918 1.549) 2.745 3.675 ( -1.205 1.918 1.549) 2.745 4.122 ( -0.061 -1.777 -2.487) 3.057 4.122 ( -0.061 1.777 -2.487) 3.057 4.816 ( -2.448 -2.550 2.808) 4.515 4.816 ( -2.448 2.550 2.808) 4.515 4.955 ( -2.499 -4.723 -2.452) 5.879 4.955 ( -2.499 4.723 -2.452) 5.879 5.113 ( 2.736 -9.195 -8.382) 12.740 5.113 ( 2.736 9.195 -8.382) 12.740 5.640 ( -1.967 -0.907 -5.619) 6.023 5.640 ( -1.967 0.907 -5.619) 6.023 5.770 ( 0.077 -1.627 -1.273) 2.067 5.770 ( 0.077 1.627 -1.273) 2.067 6.003 ( 4.332 -4.193 -0.444) 6.045 6.003 ( 4.332 4.193 -0.444) 6.045 6.170 ( -0.666 -1.245 5.264) 5.450 6.170 ( -0.666 1.245 5.264) 5.450 6.567 ( -0.159 -11.030 12.227) 16.468 6.567 ( -0.159 11.030 12.227) 16.468 6.906 ( 0.655 -3.679 2.883) 4.719 6.906 ( 0.655 3.679 2.883) 4.719 7.225 ( -0.845 -2.770 -4.369) 5.241 7.225 ( -0.845 2.770 -4.369) 5.241 7.666 ( 7.209 -4.361 -8.369) 11.875 7.666 ( 7.209 4.361 -8.369) 11.875 7.840 ( -1.745 -4.408 -2.817) 5.515 7.840 ( -1.745 4.408 -2.817) 5.515 8.257 ( -9.741 -2.164 6.204) 11.750 8.257 ( -9.741 2.164 6.204) 11.750 8.789 ( 1.310 -3.373 0.318) 3.633 8.789 ( 1.310 3.373 0.318) 3.633 9.170 ( 2.598 -1.750 0.693) 3.209 9.170 ( 2.598 1.750 0.693) 3.209 9.318 ( -2.491 -1.535 -0.862) 3.051 9.318 ( -2.491 1.535 -0.862) 3.051 ======================= Grid point 65 (35/96) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 2.346 -12.470 -3.804) 13.247 0.496 ( 2.346 12.470 -3.804) 13.247 0.668 ( 10.499 -9.126 -0.338) 13.915 0.668 ( 10.499 9.126 -0.338) 13.915 0.950 ( 15.490 -4.301 1.054) 16.110 0.950 ( 15.490 4.301 1.054) 16.110 1.009 ( 4.449 -2.711 3.194) 6.111 1.009 ( 4.449 2.711 3.194) 6.111 1.233 ( 4.041 -3.466 0.340) 5.334 1.233 ( 4.041 3.466 0.340) 5.334 1.296 ( 1.119 -3.262 0.985) 3.586 1.296 ( 1.119 3.262 0.985) 3.586 1.382 ( 0.413 -3.694 -0.601) 3.765 1.382 ( 0.413 3.694 -0.601) 3.765 1.421 ( 2.165 -1.312 1.155) 2.782 1.421 ( 2.165 1.312 1.155) 2.782 1.567 ( 0.891 -4.794 1.114) 5.002 1.567 ( 0.891 4.794 1.114) 5.002 1.681 ( 0.510 -0.987 2.840) 3.050 1.681 ( 0.510 0.987 2.840) 3.050 1.709 ( 3.241 -5.450 2.387) 6.775 1.709 ( 3.241 5.450 2.387) 6.775 1.771 ( 1.309 -1.890 2.561) 3.442 1.771 ( 1.309 1.890 2.561) 3.442 2.086 ( -1.916 -2.529 1.505) 3.512 2.086 ( -1.916 2.529 1.505) 3.512 2.459 ( 1.320 -2.884 1.324) 3.436 2.459 ( 1.320 2.884 1.324) 3.436 2.533 ( 3.425 -1.279 0.757) 3.734 2.533 ( 3.425 1.279 0.757) 3.734 2.611 ( 3.333 -3.219 -0.216) 4.639 2.611 ( 3.333 3.219 -0.216) 4.639 2.940 ( 4.042 -2.531 -5.198) 7.054 2.940 ( 4.042 2.531 -5.198) 7.054 3.151 ( 1.828 -3.099 -3.936) 5.332 3.151 ( 1.828 3.099 -3.936) 5.332 4.038 ( 34.217 -2.177 0.200) 34.287 4.038 ( 34.217 2.177 0.200) 34.287 4.389 ( 22.963 -1.514 -2.696) 23.170 4.389 ( 22.963 1.514 -2.696) 23.170 4.758 ( -2.610 -7.606 1.736) 8.226 4.758 ( -2.610 7.606 1.736) 8.226 4.921 ( 2.407 -2.281 -0.808) 3.413 4.921 ( 2.407 2.281 -0.808) 3.413 5.141 ( 1.047 -7.690 -8.751) 11.697 5.141 ( 1.047 7.690 -8.751) 11.697 5.618 ( 0.994 -3.642 -4.252) 5.686 5.618 ( 0.994 3.642 -4.252) 5.686 5.771 ( -0.079 -3.194 -2.075) 3.809 5.771 ( -0.079 3.194 -2.075) 3.809 6.072 ( 2.646 -2.615 -0.928) 3.834 6.072 ( 2.646 2.615 -0.928) 3.834 6.182 ( 1.275 -2.195 6.479) 6.958 6.182 ( 1.275 2.195 6.479) 6.958 6.566 ( -0.170 -7.714 12.116) 14.364 6.566 ( -0.170 7.714 12.116) 14.364 6.936 ( 2.034 -3.080 3.754) 5.265 6.936 ( 2.034 3.080 3.754) 5.265 7.226 ( 1.248 -4.056 -4.902) 6.484 7.226 ( 1.248 4.056 -4.902) 6.484 7.743 ( -3.637 -2.937 -3.339) 5.745 7.743 ( -3.637 2.937 -3.339) 5.745 7.818 ( 3.790 -3.761 -4.493) 6.978 7.818 ( 3.790 3.761 -4.493) 6.978 8.111 ( -4.074 -3.904 0.778) 5.696 8.111 ( -4.074 3.904 0.778) 5.696 8.755 ( -4.348 -5.009 2.220) 6.995 8.755 ( -4.348 5.009 2.220) 6.995 9.220 ( 3.376 -1.744 1.074) 3.948 9.220 ( 3.376 1.744 1.074) 3.948 9.394 ( 8.305 -1.520 -2.340) 8.761 9.394 ( 8.305 1.520 -2.340) 8.761 ======================= Grid point 67 (36/96) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 3.862 -9.296 -2.815) 10.453 0.549 ( 3.862 9.296 -2.815) 10.453 0.826 ( 6.806 -7.865 2.374) 10.668 0.826 ( 6.806 7.865 2.374) 10.668 1.052 ( 2.346 -3.344 3.735) 5.535 1.052 ( 2.346 3.344 3.735) 5.535 1.193 ( 3.086 -2.455 2.727) 4.795 1.193 ( 3.086 2.455 2.727) 4.795 1.276 ( 0.344 -0.751 -2.926) 3.041 1.276 ( 0.344 0.751 -2.926) 3.041 1.372 ( 4.901 -3.026 -1.934) 6.076 1.372 ( 4.901 3.026 -1.934) 6.076 1.436 ( 3.984 -4.057 -0.080) 5.687 1.436 ( 3.984 4.057 -0.080) 5.687 1.515 ( 7.299 -2.979 0.142) 7.885 1.515 ( 7.299 2.979 0.142) 7.885 1.593 ( 1.743 -3.057 1.660) 3.891 1.593 ( 1.743 3.057 1.660) 3.891 1.733 ( 4.619 -2.601 1.012) 5.397 1.733 ( 4.619 2.601 1.012) 5.397 1.776 ( 5.734 -3.727 0.795) 6.885 1.776 ( 5.734 3.727 0.795) 6.885 1.849 ( 6.641 -0.884 4.502) 8.072 1.849 ( 6.641 0.884 4.502) 8.072 2.044 ( -1.777 -2.353 2.539) 3.891 2.044 ( -1.777 2.353 2.539) 3.891 2.485 ( 2.225 -4.255 0.756) 4.861 2.485 ( 2.225 4.255 0.756) 4.861 2.623 ( 5.092 -1.802 -0.217) 5.406 2.623 ( 5.092 1.802 -0.217) 5.406 2.679 ( 4.054 -2.313 0.565) 4.701 2.679 ( 4.054 2.313 0.565) 4.701 3.030 ( 5.159 -3.444 -4.977) 7.953 3.030 ( 5.159 3.444 -4.977) 7.953 3.204 ( 4.050 -2.995 -3.767) 6.290 3.204 ( 4.050 2.995 -3.767) 6.290 4.454 ( 2.180 -2.321 0.186) 3.190 4.454 ( 2.180 2.321 0.186) 3.190 4.541 ( -6.485 -4.911 -1.461) 8.265 4.541 ( -6.485 4.911 -1.461) 8.265 4.975 ( 14.617 -6.482 -3.718) 16.416 4.975 ( 14.617 6.482 -3.718) 16.416 5.233 ( 26.695 -1.753 -1.978) 26.825 5.233 ( 26.695 1.753 -1.978) 26.825 5.263 ( 21.326 -4.689 -2.636) 21.994 5.263 ( 21.326 4.689 -2.636) 21.994 5.673 ( 2.993 -4.623 -5.661) 7.898 5.673 ( 2.993 4.623 -5.661) 7.898 5.825 ( 11.280 -4.613 1.228) 12.248 5.825 ( 11.280 4.613 1.228) 12.248 6.110 ( 1.578 -1.994 1.096) 2.769 6.110 ( 1.578 1.994 1.096) 2.769 6.199 ( 0.336 -3.985 5.729) 6.987 6.199 ( 0.336 3.985 5.729) 6.987 6.599 ( 3.438 -2.949 10.282) 11.236 6.599 ( 3.438 2.949 10.282) 11.236 6.982 ( 2.668 -3.077 3.454) 5.340 6.982 ( 2.668 3.077 3.454) 5.340 7.261 ( 2.483 -5.148 -5.018) 7.606 7.261 ( 2.483 5.148 -5.018) 7.606 7.656 ( -3.410 -5.358 -0.257) 6.356 7.656 ( -3.410 5.358 -0.257) 6.356 7.866 ( 0.562 -3.554 -1.591) 3.934 7.866 ( 0.562 3.554 -1.591) 3.934 8.113 ( 3.396 -1.337 -5.232) 6.379 8.113 ( 3.396 1.337 -5.232) 6.379 8.663 ( -4.823 -4.672 2.646) 7.217 8.663 ( -4.823 4.672 2.646) 7.217 9.305 ( 4.963 -2.731 1.514) 5.864 9.305 ( 4.963 2.731 1.514) 5.864 9.562 ( 8.809 -1.130 -2.659) 9.271 9.562 ( 8.809 1.130 -2.659) 9.271 ======================= Grid point 69 (37/96) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 4.689 -4.700 -1.916) 6.910 0.631 ( 4.689 4.700 -1.916) 6.910 0.926 ( 3.242 -5.476 2.448) 6.819 0.926 ( 3.242 5.476 2.448) 6.819 1.098 ( 2.726 -3.074 3.463) 5.373 1.098 ( 2.726 3.074 3.463) 5.373 1.184 ( -2.241 -3.386 1.630) 4.375 1.184 ( -2.241 3.386 1.630) 4.375 1.264 ( -1.234 -1.797 -0.985) 2.392 1.264 ( -1.234 1.797 -0.985) 2.392 1.416 ( 0.800 -0.813 -0.176) 1.154 1.416 ( 0.800 0.813 -0.176) 1.154 1.489 ( 1.545 -1.950 -0.868) 2.635 1.489 ( 1.545 1.950 -0.868) 2.635 1.578 ( 0.112 -1.703 0.140) 1.712 1.578 ( 0.112 1.703 0.140) 1.712 1.635 ( 2.433 -0.850 0.813) 2.702 1.635 ( 2.433 0.850 0.813) 2.702 1.796 ( 2.235 -2.138 0.416) 3.121 1.796 ( 2.235 2.138 0.416) 3.121 1.911 ( -0.469 -3.109 3.502) 4.707 1.911 ( -0.469 3.109 3.502) 4.707 1.986 ( 10.445 -3.162 -0.178) 10.914 1.986 ( 10.445 3.162 -0.178) 10.914 2.097 ( 7.767 -3.312 2.768) 8.886 2.097 ( 7.767 3.312 2.768) 8.886 2.552 ( 4.325 -4.645 0.010) 6.347 2.552 ( 4.325 4.645 0.010) 6.347 2.704 ( 3.456 -0.190 -1.506) 3.775 2.704 ( 3.456 0.190 -1.506) 3.775 2.773 ( 5.382 -3.832 2.338) 7.008 2.773 ( 5.382 3.832 2.338) 7.008 3.113 ( 3.778 -4.404 -4.499) 7.342 3.113 ( 3.778 4.404 -4.499) 7.342 3.292 ( 4.941 -2.873 -3.448) 6.675 3.292 ( 4.941 2.873 -3.448) 6.675 4.364 ( -7.154 -6.582 -0.880) 9.761 4.364 ( -7.154 6.582 -0.880) 9.761 4.407 ( -6.665 -1.713 0.852) 6.935 4.407 ( -6.665 1.713 0.852) 6.935 5.065 ( 1.917 -10.169 -8.243) 13.229 5.065 ( 1.917 10.169 -8.243) 13.229 5.465 ( 4.651 -10.767 0.070) 11.729 5.465 ( 4.651 10.767 0.070) 11.729 5.655 ( 1.110 -5.941 -2.939) 6.721 5.655 ( 1.110 5.941 -2.939) 6.721 5.851 ( 17.118 -1.913 2.964) 17.478 5.851 ( 17.118 1.913 2.964) 17.478 6.130 ( 4.229 -1.839 0.211) 4.616 6.130 ( 4.229 1.839 0.211) 4.616 6.230 ( 11.621 -2.308 4.306) 12.606 6.230 ( 11.621 2.308 4.306) 12.606 6.274 ( 17.513 -1.951 0.462) 17.627 6.274 ( 17.513 1.951 0.462) 17.627 6.707 ( 7.613 -2.824 8.042) 11.428 6.707 ( 7.613 2.824 8.042) 11.428 7.050 ( 4.805 -3.613 2.763) 6.617 7.050 ( 4.805 3.613 2.763) 6.617 7.309 ( 2.770 -4.905 -4.111) 6.974 7.309 ( 2.770 4.905 -4.111) 6.974 7.630 ( 0.487 -5.615 -1.756) 5.903 7.630 ( 0.487 5.615 -1.756) 5.903 7.855 ( -1.267 -3.764 -0.609) 4.018 7.855 ( -1.267 3.764 -0.609) 4.018 8.193 ( 4.730 -1.576 -3.791) 6.263 8.193 ( 4.730 1.576 -3.791) 6.263 8.588 ( -3.102 -4.047 2.027) 5.487 8.588 ( -3.102 4.047 2.027) 5.487 9.391 ( 3.737 -3.177 1.978) 5.289 9.391 ( 3.737 3.177 1.978) 5.289 9.710 ( 6.725 -2.674 -2.168) 7.555 9.710 ( 6.725 2.674 -2.168) 7.555 ======================= Grid point 71 (38/96) ======================= q-point: ( 0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 4.013 -1.639 -1.680) 4.649 0.716 ( 4.013 1.639 -1.680) 4.649 0.950 ( -0.351 -2.865 2.413) 3.762 0.950 ( -0.351 2.865 2.413) 3.762 1.126 ( -2.740 -2.640 -0.333) 3.819 1.126 ( -2.740 2.640 -0.333) 3.819 1.167 ( 2.834 -2.689 5.356) 6.630 1.167 ( 2.834 2.689 5.356) 6.630 1.237 ( -1.038 -0.995 -0.349) 1.480 1.237 ( -1.038 0.995 -0.349) 1.480 1.427 ( 0.674 -1.263 0.167) 1.441 1.427 ( 0.674 1.263 0.167) 1.441 1.503 ( 0.360 -0.879 -0.396) 1.029 1.503 ( 0.360 0.879 -0.396) 1.029 1.564 ( -1.058 -1.794 -0.347) 2.112 1.564 ( -1.058 1.794 -0.347) 2.112 1.685 ( 2.397 -0.586 0.504) 2.518 1.685 ( 2.397 0.586 0.504) 2.518 1.808 ( -1.266 -2.060 2.995) 3.849 1.808 ( -1.266 2.060 2.995) 3.849 1.890 ( -0.274 -3.140 -0.150) 3.155 1.890 ( -0.274 3.140 -0.150) 3.155 2.111 ( 2.889 -4.171 2.215) 5.536 2.111 ( 2.889 4.171 2.215) 5.536 2.238 ( 4.987 -3.320 0.635) 6.025 2.238 ( 4.987 3.320 0.635) 6.025 2.612 ( 1.129 -4.683 -0.871) 4.895 2.612 ( 1.129 4.683 -0.871) 4.895 2.754 ( 1.686 -0.549 -1.070) 2.071 2.754 ( 1.686 0.549 -1.070) 2.071 2.862 ( 3.274 -5.476 2.872) 6.997 2.862 ( 3.274 5.476 2.872) 6.997 3.166 ( 1.912 -4.633 -3.858) 6.325 3.166 ( 1.912 4.633 -3.858) 6.325 3.364 ( 2.338 -2.760 -3.087) 4.755 3.364 ( 2.338 2.760 -3.087) 4.755 4.261 ( -2.954 -5.184 -1.175) 6.081 4.261 ( -2.954 5.184 -1.175) 6.081 4.311 ( -2.682 -2.080 1.133) 3.578 4.311 ( -2.682 2.080 1.133) 3.578 5.085 ( 0.520 -6.581 -7.481) 9.978 5.085 ( 0.520 6.581 -7.481) 9.978 5.494 ( -0.389 -6.560 -2.333) 6.974 5.494 ( -0.389 6.560 -2.333) 6.974 5.677 ( 2.092 -4.006 1.686) 4.824 5.677 ( 2.092 4.006 1.686) 4.824 5.964 ( 0.158 -3.991 6.648) 7.756 5.964 ( 0.158 3.991 6.648) 7.756 6.174 ( 0.836 -0.922 -1.435) 1.899 6.174 ( 0.836 0.922 -1.435) 1.899 6.401 ( 5.290 -1.217 1.128) 5.544 6.401 ( 5.290 1.217 1.128) 5.544 6.538 ( 6.110 -2.066 3.371) 7.278 6.538 ( 6.110 2.066 3.371) 7.278 6.855 ( 4.614 -4.693 3.447) 7.429 6.855 ( 4.614 4.693 3.447) 7.429 7.166 ( 5.738 -3.800 2.727) 7.403 7.166 ( 5.738 3.800 2.727) 7.403 7.352 ( 1.419 -2.698 -1.784) 3.532 7.352 ( 1.419 2.698 -1.784) 3.532 7.662 ( 2.488 -3.502 -4.587) 6.284 7.662 ( 2.488 3.502 -4.587) 6.284 7.817 ( -2.764 -3.820 -0.539) 4.746 7.817 ( -2.764 3.820 -0.539) 4.746 8.279 ( 4.357 -1.362 -0.549) 4.598 8.279 ( 4.357 1.362 -0.549) 4.598 8.546 ( -1.539 -3.281 1.262) 3.837 8.546 ( -1.539 3.281 1.262) 3.837 9.439 ( 1.100 -2.841 2.076) 3.686 9.439 ( 1.100 2.841 2.076) 3.686 9.803 ( 2.945 -3.375 -1.500) 4.724 9.803 ( 2.945 3.375 -1.500) 4.724 ======================= Grid point 73 (39/96) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.872 -1.558 -1.844) 2.567 0.766 ( 0.872 1.558 -1.844) 2.567 0.927 ( -2.054 -2.532 2.554) 4.141 0.927 ( -2.054 2.532 2.554) 4.141 1.073 ( -2.292 -4.265 2.083) 5.271 1.073 ( -2.292 4.265 2.083) 5.271 1.204 ( 0.731 -1.118 2.369) 2.719 1.204 ( 0.731 1.118 2.369) 2.719 1.249 ( 2.069 -0.888 1.461) 2.684 1.249 ( 2.069 0.888 1.461) 2.684 1.445 ( 1.225 -1.949 0.494) 2.354 1.445 ( 1.225 1.949 0.494) 2.354 1.508 ( -0.012 -1.020 -0.372) 1.086 1.508 ( -0.012 1.020 -0.372) 1.086 1.549 ( -0.381 -1.625 -0.900) 1.896 1.549 ( -0.381 1.625 -0.900) 1.896 1.700 ( -1.412 -1.018 1.048) 2.032 1.700 ( -1.412 1.018 1.048) 2.032 1.784 ( -0.227 -0.823 2.034) 2.206 1.784 ( -0.227 0.823 2.034) 2.206 1.901 ( 0.871 -3.023 -0.173) 3.151 1.901 ( 0.871 3.023 -0.173) 3.151 2.111 ( -3.107 -4.183 2.875) 5.951 2.111 ( -3.107 4.183 2.875) 5.951 2.259 ( -2.914 -3.973 1.657) 5.198 2.259 ( -2.914 3.973 1.657) 5.198 2.581 ( -4.054 -5.244 -2.072) 6.945 2.581 ( -4.054 5.244 -2.072) 6.945 2.756 ( -1.398 -0.560 -1.014) 1.816 2.756 ( -1.398 0.560 -1.014) 1.816 2.882 ( -1.455 -4.893 3.291) 6.074 2.882 ( -1.455 4.893 3.291) 6.074 3.178 ( -0.487 -4.634 -3.307) 5.714 3.178 ( -0.487 4.634 -3.307) 5.714 3.366 ( -1.966 -2.819 -3.030) 4.582 3.366 ( -1.966 2.819 -3.030) 4.582 4.261 ( 2.904 -3.196 -1.154) 4.469 4.261 ( 2.904 3.196 -1.154) 4.469 4.328 ( 4.474 -0.926 0.754) 4.631 4.328 ( 4.474 0.926 0.754) 4.631 5.076 ( -1.097 -0.935 -5.983) 6.154 5.076 ( -1.097 0.935 -5.983) 6.154 5.477 ( -0.834 -3.634 -2.743) 4.629 5.477 ( -0.834 3.634 -2.743) 4.629 5.728 ( 2.713 -7.606 3.098) 8.649 5.728 ( 2.713 7.606 3.098) 8.649 5.955 ( -1.003 -4.620 5.027) 6.901 5.955 ( -1.003 4.620 5.027) 6.901 6.167 ( -1.627 -2.625 -1.138) 3.291 6.167 ( -1.627 2.625 -1.138) 3.291 6.376 ( -8.121 -0.988 0.973) 8.238 6.376 ( -8.121 0.988 0.973) 8.238 6.562 ( -3.899 -1.867 3.193) 5.374 6.562 ( -3.899 1.867 3.193) 5.374 6.831 ( -7.189 -4.588 2.922) 9.015 6.831 ( -7.189 4.588 2.922) 9.015 7.172 ( -5.464 -3.250 2.907) 6.990 7.172 ( -5.464 3.250 2.907) 6.990 7.375 ( 1.454 -3.338 -0.996) 3.774 7.375 ( 1.454 3.338 -0.996) 3.774 7.645 ( -5.044 -1.517 -5.277) 7.456 7.645 ( -5.044 1.517 -5.277) 7.456 7.792 ( 0.882 -2.840 -1.127) 3.180 7.792 ( 0.882 2.840 -1.127) 3.180 8.354 ( 3.522 -1.522 2.032) 4.341 8.354 ( 3.522 1.522 2.032) 4.341 8.528 ( -0.300 -2.554 0.644) 2.651 8.528 ( -0.300 2.554 0.644) 2.651 9.431 ( -2.156 -2.892 1.676) 3.977 9.431 ( -2.156 2.892 1.676) 3.977 9.816 ( -1.508 -3.249 -0.939) 3.703 9.816 ( -1.508 3.249 -0.939) 3.703 ======================= Grid point 75 (40/96) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -4.258 -3.212 -1.214) 5.470 0.732 ( -4.258 3.212 -1.214) 5.470 0.884 ( -2.645 -4.640 2.483) 5.890 0.884 ( -2.645 4.640 2.483) 5.890 1.045 ( -1.015 -4.990 4.155) 6.572 1.045 ( -1.015 4.990 4.155) 6.572 1.215 ( 0.047 -2.239 0.825) 2.387 1.215 ( 0.047 2.239 0.825) 2.387 1.293 ( 2.334 -1.738 1.730) 3.385 1.293 ( 2.334 1.738 1.730) 3.385 1.468 ( 0.526 -1.857 0.953) 2.153 1.468 ( 0.526 1.857 0.953) 2.153 1.491 ( -1.844 -2.596 -0.669) 3.254 1.491 ( -1.844 2.596 -0.669) 3.254 1.538 ( -1.268 -1.508 -1.029) 2.223 1.538 ( -1.268 1.508 -1.029) 2.223 1.663 ( -1.497 -2.203 0.717) 2.758 1.663 ( -1.497 2.203 0.717) 2.758 1.786 ( -0.733 -1.254 0.273) 1.478 1.786 ( -0.733 1.254 0.273) 1.478 1.906 ( -0.981 -1.448 1.432) 2.260 1.906 ( -0.981 1.448 1.432) 2.260 1.989 ( -10.018 -3.322 3.607) 11.154 1.989 ( -10.018 3.322 3.607) 11.154 2.145 ( -7.775 -5.175 4.190) 10.237 2.145 ( -7.775 5.175 4.190) 10.237 2.481 ( -5.457 -5.837 -3.104) 8.572 2.481 ( -5.457 5.837 -3.104) 8.572 2.710 ( -3.051 -0.410 -1.497) 3.423 2.710 ( -3.051 0.410 -1.497) 3.423 2.817 ( -5.176 -3.859 3.452) 7.321 2.817 ( -5.176 3.859 3.452) 7.321 3.143 ( -2.975 -4.409 -3.068) 6.140 3.143 ( -2.975 4.409 -3.068) 6.140 3.299 ( -4.468 -2.851 -3.243) 6.214 3.299 ( -4.468 2.851 -3.243) 6.214 4.356 ( 6.500 -1.909 -1.538) 6.946 4.356 ( 6.500 1.909 -1.538) 6.946 4.460 ( 8.530 -2.337 -0.126) 8.845 4.460 ( 8.530 2.337 -0.126) 8.845 5.039 ( -2.535 -4.880 -3.783) 6.675 5.039 ( -2.535 4.880 -3.783) 6.675 5.461 ( -1.169 -2.980 -1.301) 3.456 5.461 ( -1.169 2.980 -1.301) 3.456 5.746 ( -4.365 -5.660 2.311) 7.512 5.746 ( -4.365 5.660 2.311) 7.512 5.932 ( -2.103 -5.007 1.796) 5.720 5.932 ( -2.103 5.007 1.796) 5.720 6.046 ( -15.128 -3.338 -2.411) 15.678 6.046 ( -15.128 3.338 -2.411) 15.678 6.154 ( -12.776 -3.155 2.101) 13.327 6.154 ( -12.776 3.155 2.101) 13.327 6.283 ( -22.490 -1.795 0.713) 22.572 6.283 ( -22.490 1.795 0.713) 22.572 6.686 ( -5.443 -4.447 7.520) 10.293 6.686 ( -5.443 4.447 7.520) 10.293 7.056 ( -5.497 -3.706 2.445) 7.066 7.056 ( -5.497 3.706 2.445) 7.066 7.369 ( -2.389 -4.568 -2.975) 5.952 7.369 ( -2.389 4.568 -2.975) 5.952 7.551 ( -3.002 -3.927 -2.824) 5.693 7.551 ( -3.002 3.927 -2.824) 5.693 7.809 ( 0.816 -2.371 -2.460) 3.513 7.809 ( 0.816 2.371 -2.460) 3.513 8.409 ( 1.965 -1.794 3.198) 4.160 8.409 ( 1.965 1.794 3.198) 4.160 8.545 ( 2.218 -1.464 1.050) 2.857 8.545 ( 2.218 1.464 1.050) 2.857 9.362 ( -5.008 -3.419 0.670) 6.100 9.362 ( -5.008 3.419 0.670) 6.100 9.749 ( -5.372 -2.603 -0.509) 5.991 9.749 ( -5.372 2.603 -0.509) 5.991 ======================= Grid point 77 (41/96) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -7.055 -5.833 -0.476) 9.167 0.621 ( -7.055 5.833 -0.476) 9.167 0.821 ( -4.403 -6.997 2.624) 8.673 0.821 ( -4.403 6.997 2.624) 8.673 1.027 ( -1.569 -3.708 4.306) 5.895 1.027 ( -1.569 3.708 4.306) 5.895 1.190 ( -3.818 -2.427 0.677) 4.574 1.190 ( -3.818 2.427 0.677) 4.574 1.329 ( 0.194 -0.057 0.595) 0.628 1.329 ( 0.194 0.057 0.595) 0.628 1.372 ( -8.320 -2.044 -0.484) 8.581 1.372 ( -8.320 2.044 -0.484) 8.581 1.478 ( -5.070 -1.691 -0.834) 5.410 1.478 ( -5.070 1.691 -0.834) 5.410 1.500 ( 0.245 -4.523 0.143) 4.532 1.500 ( 0.245 4.523 0.143) 4.532 1.634 ( -2.997 -2.952 -0.436) 4.229 1.634 ( -2.997 2.952 -0.436) 4.229 1.738 ( -3.135 -0.910 0.302) 3.278 1.738 ( -3.135 0.910 0.302) 3.278 1.780 ( -8.939 -5.560 5.114) 11.704 1.780 ( -8.939 5.560 5.114) 11.704 1.846 ( -5.337 -4.001 6.173) 9.088 1.846 ( -5.337 4.001 6.173) 9.088 2.059 ( -0.648 -3.961 2.818) 4.904 2.059 ( -0.648 3.961 2.818) 4.904 2.398 ( -2.722 -4.742 -3.242) 6.357 2.398 ( -2.722 4.742 -3.242) 6.357 2.647 ( -3.476 -2.159 -1.588) 4.389 2.647 ( -3.476 2.159 -1.588) 4.389 2.710 ( -5.776 -4.046 3.113) 7.708 2.710 ( -5.776 4.046 3.113) 7.708 3.063 ( -5.212 -3.206 -3.177) 6.895 3.063 ( -5.212 3.206 -3.177) 6.895 3.215 ( -3.706 -2.879 -3.442) 5.820 3.215 ( -3.706 2.879 -3.442) 5.820 4.432 ( -3.015 -0.910 -1.856) 3.656 4.432 ( -3.015 0.910 -1.856) 3.656 4.608 ( 5.520 -9.581 -3.798) 11.691 4.608 ( 5.520 9.581 -3.798) 11.691 4.960 ( -7.220 -4.481 0.637) 8.521 4.960 ( -7.220 4.481 0.637) 8.521 5.278 ( -28.911 -2.946 4.103) 29.349 5.278 ( -28.911 2.946 4.103) 29.349 5.383 ( -23.747 -5.501 0.689) 24.386 5.383 ( -23.747 5.501 0.689) 24.386 5.652 ( -12.317 -3.404 -6.988) 14.565 5.652 ( -12.317 3.404 -6.988) 14.565 5.878 ( -2.544 -5.760 -5.104) 8.106 5.878 ( -2.544 5.760 -5.104) 8.106 5.937 ( -1.286 -0.820 1.032) 1.842 5.937 ( -1.286 0.820 1.032) 1.842 6.170 ( -0.183 -6.392 6.699) 9.261 6.170 ( -0.183 6.392 6.699) 9.261 6.610 ( -3.560 -6.468 9.060) 11.687 6.610 ( -3.560 6.468 9.060) 11.687 6.971 ( -3.697 -4.305 2.037) 6.029 6.971 ( -3.697 4.305 2.037) 6.029 7.309 ( -3.020 -4.206 -4.686) 6.984 7.309 ( -3.020 4.206 -4.686) 6.984 7.527 ( 0.208 -5.136 -1.843) 5.461 7.527 ( 0.208 5.136 -1.843) 5.461 7.827 ( 1.281 -3.061 -3.109) 4.547 7.827 ( 1.281 3.061 -3.109) 4.547 8.430 ( -0.018 -1.584 3.692) 4.017 8.430 ( -0.018 1.584 3.692) 4.017 8.613 ( 4.745 -0.522 2.180) 5.248 8.613 ( 4.745 0.522 2.180) 5.248 9.254 ( -5.904 -3.390 -0.672) 6.841 9.254 ( -5.904 3.390 -0.672) 6.841 9.619 ( -8.180 -1.839 -0.245) 8.388 9.619 ( -8.180 1.839 -0.245) 8.388 ======================= Grid point 79 (42/96) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -9.219 -8.377 -1.556) 12.553 0.469 ( -9.219 8.377 -1.556) 12.553 0.710 ( -7.814 -10.391 0.358) 13.006 0.710 ( -7.814 10.391 0.358) 13.006 0.930 ( -12.356 -3.509 1.420) 12.923 0.930 ( -12.356 3.509 1.420) 12.923 1.038 ( -5.499 -1.602 1.781) 5.998 1.038 ( -5.499 1.602 1.781) 5.998 1.218 ( -4.583 -4.443 2.518) 6.861 1.218 ( -4.583 4.443 2.518) 6.861 1.340 ( -2.768 -1.973 -1.811) 3.852 1.340 ( -2.768 1.973 -1.811) 3.852 1.372 ( -1.556 -5.203 3.083) 6.245 1.372 ( -1.556 5.203 3.083) 6.245 1.496 ( -1.921 -3.644 -0.403) 4.139 1.496 ( -1.921 3.644 -0.403) 4.139 1.560 ( -2.525 -3.127 0.345) 4.034 1.560 ( -2.525 3.127 0.345) 4.034 1.682 ( -1.520 -6.574 5.075) 8.443 1.682 ( -1.520 6.574 5.075) 8.443 1.734 ( -0.033 -2.700 4.135) 4.939 1.734 ( -0.033 2.700 4.135) 4.939 1.750 ( -4.098 -4.508 3.140) 6.854 1.750 ( -4.098 4.508 3.140) 6.854 2.080 ( 1.661 -2.844 1.073) 3.464 2.080 ( 1.661 2.844 1.073) 3.464 2.377 ( 0.553 -2.983 -2.278) 3.794 2.377 ( 0.553 2.983 -2.278) 3.794 2.574 ( -4.018 -4.110 0.139) 5.749 2.574 ( -4.018 4.110 0.139) 5.749 2.617 ( -4.108 -3.961 1.403) 5.877 2.617 ( -4.108 3.961 1.403) 5.877 2.960 ( -4.878 -2.256 -3.793) 6.578 2.960 ( -4.878 2.256 -3.793) 6.578 3.160 ( -1.954 -3.333 -3.651) 5.316 3.160 ( -1.954 3.333 -3.651) 5.316 4.045 ( -31.571 -2.550 0.205) 31.674 4.045 ( -31.571 2.550 0.205) 31.674 4.408 ( -25.364 -0.934 -3.972) 25.690 4.408 ( -25.364 0.934 -3.972) 25.690 4.824 ( 0.591 -3.701 3.228) 4.946 4.824 ( 0.591 3.701 3.228) 4.946 4.989 ( -2.176 -0.318 2.092) 3.035 4.989 ( -2.176 0.318 2.092) 3.035 5.101 ( -4.044 -9.613 -7.515) 12.855 5.101 ( -4.044 9.613 -7.515) 12.855 5.633 ( 2.721 -2.750 -3.411) 5.158 5.633 ( 2.721 2.750 -3.411) 5.158 5.811 ( -3.998 -1.032 -4.706) 6.261 5.811 ( -3.998 1.032 -4.706) 6.261 5.941 ( 1.705 -3.452 0.116) 3.852 5.941 ( 1.705 3.452 0.116) 3.852 6.180 ( 0.019 -2.514 5.495) 6.043 6.180 ( 0.019 2.514 5.495) 6.043 6.567 ( -1.202 -9.820 11.058) 14.837 6.567 ( -1.202 9.820 11.058) 14.837 6.917 ( -1.987 -4.324 2.151) 5.222 6.917 ( -1.987 4.324 2.151) 5.222 7.257 ( -2.184 -2.889 -4.401) 5.699 7.257 ( -2.184 2.889 -4.401) 5.699 7.561 ( 3.821 -5.244 -4.698) 8.010 7.561 ( 3.821 5.244 -4.698) 8.010 7.848 ( 0.807 -3.840 -3.310) 5.133 7.848 ( 0.807 3.840 -3.310) 5.133 8.397 ( -4.464 -1.583 5.711) 7.420 8.397 ( -4.464 1.583 5.711) 7.420 8.715 ( 5.467 -1.001 1.288) 5.705 8.715 ( 5.467 1.001 1.288) 5.705 9.164 ( -2.686 -1.938 -1.128) 3.499 9.164 ( -2.686 1.938 -1.128) 3.499 9.449 ( -9.162 -1.757 -0.053) 9.329 9.449 ( -9.162 1.757 -0.053) 9.329 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( 3.175 0.000 3.726) 4.896 0.459 ( -1.370 0.000 -1.721) 2.199 0.653 ( -1.672 0.000 13.902) 14.003 0.701 ( -0.144 0.000 6.605) 6.606 0.898 ( -7.111 0.000 6.371) 9.547 0.971 ( 3.697 0.000 -1.351) 3.936 1.034 ( -0.130 0.000 -3.689) 3.691 1.075 ( 1.300 0.000 1.467) 1.960 1.097 ( 0.895 0.000 1.968) 2.162 1.204 ( -3.908 0.000 -3.161) 5.027 1.244 ( -0.889 0.000 9.385) 9.427 1.277 ( 1.315 0.000 -0.406) 1.376 1.310 ( 0.126 0.000 -2.173) 2.177 1.330 ( -1.976 0.000 -1.458) 2.455 1.364 ( -0.378 0.000 -2.859) 2.884 1.491 ( -0.736 0.000 -2.063) 2.191 1.514 ( 0.702 0.000 3.470) 3.540 1.580 ( -0.899 0.000 0.176) 0.916 1.637 ( 2.376 0.000 -0.592) 2.449 1.669 ( -2.927 0.000 5.206) 5.972 1.760 ( 0.397 0.000 4.197) 4.215 1.833 ( 0.392 0.000 3.772) 3.793 1.844 ( -1.555 0.000 7.250) 7.415 2.064 ( -1.090 0.000 4.922) 5.041 2.087 ( 1.094 0.000 3.928) 4.078 2.231 ( 0.248 0.000 0.195) 0.315 2.315 ( 2.203 0.000 2.536) 3.359 2.411 ( 1.046 0.000 -1.920) 2.186 2.504 ( -0.255 0.000 0.008) 0.255 2.554 ( -0.619 0.000 -1.902) 2.001 2.623 ( 0.209 0.000 -3.585) 3.591 2.676 ( 0.995 0.000 -0.094) 0.999 2.732 ( -1.118 0.000 -3.604) 3.773 2.816 ( -0.758 0.000 0.890) 1.169 2.930 ( -0.190 0.000 -6.668) 6.670 3.074 ( -0.661 0.000 -8.858) 8.883 3.624 ( -2.415 0.000 -0.055) 2.416 3.769 ( -1.131 0.000 0.067) 1.133 3.992 ( -1.867 0.000 -3.607) 4.061 4.048 ( 0.335 0.000 -0.228) 0.405 4.400 ( 5.776 0.000 7.810) 9.713 4.644 ( -5.982 0.000 2.511) 6.487 4.916 ( -2.456 0.000 -5.016) 5.585 4.998 ( 5.328 0.000 1.402) 5.509 5.265 ( 1.364 0.000 -3.965) 4.193 5.313 ( -4.248 0.000 -14.914) 15.507 5.533 ( -3.936 0.000 4.559) 6.023 5.631 ( -0.878 0.000 -9.532) 9.572 5.710 ( -0.642 0.000 -5.323) 5.361 5.794 ( 7.756 0.000 0.051) 7.756 5.857 ( 3.410 0.000 2.935) 4.500 5.950 ( -4.781 0.000 -2.333) 5.320 6.276 ( -1.532 0.000 11.143) 11.248 6.464 ( -0.100 0.000 12.505) 12.506 6.610 ( -2.830 0.000 6.648) 7.225 6.704 ( 8.566 0.000 0.074) 8.566 6.980 ( -1.034 0.000 -5.530) 5.626 7.003 ( 0.305 0.000 -5.355) 5.364 7.104 ( -1.127 0.000 -0.801) 1.382 7.187 ( 3.493 0.000 -1.451) 3.783 7.465 ( 0.062 0.000 2.636) 2.637 7.630 ( 2.531 0.000 -3.698) 4.481 7.695 ( 0.079 0.000 -1.692) 1.694 7.841 ( 0.054 0.000 -5.007) 5.007 8.427 ( -8.657 0.000 4.594) 9.800 8.488 ( -22.490 0.000 6.607) 23.440 8.589 ( 4.163 0.000 -1.239) 4.343 8.815 ( 8.211 0.000 -3.809) 9.052 9.154 ( 2.753 0.000 1.405) 3.090 9.243 ( -4.102 0.000 -1.065) 4.238 9.266 ( 8.703 0.000 0.335) 8.710 9.298 ( -5.453 0.000 -0.657) 5.492 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 10.665 0.000 10.163) 14.732 0.632 ( 4.145 0.000 12.507) 13.176 0.776 ( 17.936 0.000 -0.667) 17.949 0.791 ( 6.474 0.000 8.133) 10.395 0.885 ( 10.115 0.000 -2.391) 10.393 1.059 ( 4.576 0.000 -4.343) 6.309 1.113 ( 9.903 0.000 -0.006) 9.903 1.115 ( 3.158 0.000 1.711) 3.591 1.151 ( 3.238 0.000 5.931) 6.758 1.152 ( -1.170 0.000 -3.229) 3.434 1.262 ( 2.114 0.000 9.356) 9.592 1.309 ( 1.329 0.000 -2.256) 2.618 1.327 ( 4.929 0.000 -0.016) 4.929 1.341 ( 3.000 0.000 -2.470) 3.886 1.364 ( 0.447 0.000 -2.376) 2.418 1.480 ( 0.341 0.000 -2.071) 2.099 1.568 ( 3.060 0.000 0.909) 3.192 1.583 ( 2.275 0.000 -1.649) 2.809 1.620 ( -1.791 0.000 5.641) 5.919 1.672 ( 1.021 0.000 -0.961) 1.402 1.775 ( 0.493 0.000 4.273) 4.302 1.822 ( -0.597 0.000 5.926) 5.956 1.858 ( 2.216 0.000 3.799) 4.398 2.013 ( -2.933 0.000 5.857) 6.550 2.116 ( 1.266 0.000 4.983) 5.141 2.241 ( -0.212 0.000 1.234) 1.252 2.331 ( 0.074 0.000 2.227) 2.228 2.491 ( 5.122 0.000 0.455) 5.142 2.530 ( 2.897 0.000 2.003) 3.522 2.615 ( 6.087 0.000 -3.693) 7.120 2.639 ( 1.240 0.000 -3.378) 3.598 2.695 ( 2.081 0.000 -1.717) 2.698 2.762 ( 4.084 0.000 -3.099) 5.126 2.861 ( 4.114 0.000 -0.396) 4.133 2.950 ( 2.483 0.000 -7.079) 7.502 3.080 ( 1.706 0.000 -8.668) 8.834 3.943 ( 29.915 0.000 -2.239) 29.998 4.103 ( 13.745 0.000 -5.411) 14.772 4.156 ( 32.045 0.000 3.146) 32.199 4.310 ( 22.490 0.000 0.925) 22.509 4.499 ( 0.511 0.000 2.759) 2.806 4.718 ( 21.397 0.000 4.738) 21.915 4.885 ( 2.267 0.000 -2.119) 3.103 5.024 ( -1.666 0.000 0.940) 1.913 5.193 ( -7.543 0.000 -1.038) 7.614 5.308 ( 6.539 0.000 -15.204) 16.550 5.416 ( -6.682 0.000 6.880) 9.591 5.630 ( 1.164 0.000 -6.909) 7.006 5.776 ( 5.524 0.000 -9.114) 10.657 5.896 ( 0.329 0.000 -2.260) 2.284 5.910 ( 2.333 0.000 -1.190) 2.619 5.964 ( 8.646 0.000 1.330) 8.748 6.289 ( 1.923 0.000 13.759) 13.892 6.451 ( -1.495 0.000 8.496) 8.626 6.573 ( -0.831 0.000 6.700) 6.751 6.801 ( 0.530 0.000 2.523) 2.578 6.978 ( 0.765 0.000 -4.571) 4.634 7.029 ( 1.597 0.000 -4.735) 4.997 7.103 ( 1.343 0.000 -2.834) 3.136 7.254 ( 3.492 0.000 -0.654) 3.552 7.483 ( 1.584 0.000 2.581) 3.028 7.632 ( -3.337 0.000 -0.272) 3.349 7.687 ( -0.690 0.000 -2.470) 2.565 7.858 ( 3.305 0.000 -7.044) 7.781 8.124 ( -10.629 0.000 10.789) 15.145 8.298 ( -6.247 0.000 4.790) 7.872 8.623 ( -1.259 0.000 1.124) 1.688 8.888 ( -1.482 0.000 0.305) 1.513 9.209 ( 2.524 0.000 -2.514) 3.563 9.221 ( 3.938 0.000 2.558) 4.696 9.324 ( 7.762 0.000 -3.409) 8.477 9.436 ( 7.929 0.000 -1.080) 8.002 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 6.547 0.000 10.234) 12.149 0.739 ( 4.306 0.000 8.100) 9.173 0.866 ( 3.873 0.000 5.576) 6.789 0.977 ( 3.887 0.000 -2.704) 4.735 1.113 ( 6.039 0.000 1.112) 6.141 1.135 ( 0.986 0.000 -1.909) 2.149 1.155 ( 0.652 0.000 2.587) 2.668 1.204 ( 5.556 0.000 -3.210) 6.417 1.234 ( 5.657 0.000 3.100) 6.451 1.310 ( 3.546 0.000 6.126) 7.078 1.328 ( 8.125 0.000 -0.153) 8.126 1.351 ( 1.400 0.000 -1.642) 2.158 1.364 ( 0.428 0.000 -0.640) 0.770 1.410 ( 6.449 0.000 -3.494) 7.335 1.507 ( 7.032 0.000 0.629) 7.060 1.524 ( 3.693 0.000 -1.167) 3.873 1.591 ( 5.166 0.000 -1.942) 5.519 1.621 ( 3.728 0.000 3.864) 5.369 1.664 ( -1.860 0.000 0.241) 1.876 1.713 ( 7.309 0.000 -0.519) 7.327 1.762 ( -1.769 0.000 2.116) 2.758 1.853 ( 4.938 0.000 4.757) 6.857 1.934 ( 3.734 0.000 2.401) 4.439 2.016 ( 4.602 0.000 6.670) 8.104 2.144 ( 1.946 0.000 6.948) 7.215 2.218 ( -1.567 0.000 2.770) 3.183 2.342 ( 1.173 0.000 2.411) 2.681 2.555 ( 2.884 0.000 2.904) 4.093 2.616 ( 4.928 0.000 -1.011) 5.031 2.677 ( 2.903 0.000 -1.781) 3.406 2.741 ( 6.781 0.000 -4.266) 8.011 2.752 ( 3.459 0.000 -2.214) 4.107 2.868 ( 6.934 0.000 -2.471) 7.361 2.957 ( 6.230 0.000 0.500) 6.250 3.013 ( 4.399 0.000 -7.415) 8.622 3.129 ( 3.901 0.000 -8.293) 9.165 4.177 ( -2.472 0.000 -4.063) 4.756 4.325 ( 4.817 0.000 -3.400) 5.897 4.428 ( 1.721 0.000 3.220) 3.651 4.568 ( 0.033 0.000 2.824) 2.824 4.975 ( -8.201 0.000 0.848) 8.245 5.035 ( 8.600 0.000 -9.021) 12.463 5.073 ( 42.156 0.000 3.961) 42.341 5.241 ( 28.072 0.000 -1.565) 28.116 5.309 ( 8.380 0.000 0.593) 8.401 5.369 ( 26.288 0.000 6.082) 26.982 5.532 ( 11.734 0.000 -6.648) 13.486 5.711 ( 13.596 0.000 -5.536) 14.680 5.860 ( 3.931 0.000 -10.785) 11.479 5.953 ( 7.315 0.000 -0.961) 7.378 5.969 ( 4.362 0.000 -1.156) 4.512 6.127 ( 8.119 0.000 0.412) 8.130 6.340 ( 2.323 0.000 13.191) 13.394 6.407 ( -3.427 0.000 6.688) 7.515 6.601 ( 3.583 0.000 8.954) 9.644 6.792 ( 0.463 0.000 11.663) 11.672 7.002 ( 2.319 0.000 -4.411) 4.984 7.040 ( 0.518 0.000 -2.731) 2.780 7.138 ( 2.316 0.000 -3.410) 4.123 7.316 ( 3.002 0.000 -0.218) 3.010 7.520 ( 1.881 0.000 3.390) 3.877 7.573 ( -1.484 0.000 -2.031) 2.515 7.672 ( -0.503 0.000 -3.567) 3.602 7.929 ( 2.572 0.000 -6.469) 6.962 8.065 ( 1.938 0.000 2.382) 3.071 8.234 ( -0.021 0.000 5.838) 5.838 8.555 ( -5.059 0.000 2.008) 5.443 8.811 ( -5.105 0.000 1.805) 5.414 9.301 ( 4.247 0.000 3.253) 5.350 9.328 ( 8.761 0.000 -3.386) 9.392 9.517 ( 11.243 0.000 -3.836) 11.879 9.553 ( 4.562 0.000 0.389) 4.578 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 2.530 0.000 2.956) 3.891 0.872 ( 7.112 0.000 6.324) 9.517 0.969 ( 5.819 0.000 4.234) 7.196 1.013 ( 0.814 0.000 -1.648) 1.838 1.144 ( -0.617 0.000 3.487) 3.541 1.164 ( 1.956 0.000 -2.729) 3.358 1.165 ( 0.600 0.000 3.878) 3.924 1.228 ( -1.840 0.000 -0.739) 1.983 1.298 ( 1.418 0.000 6.394) 6.549 1.338 ( -1.919 0.000 0.764) 2.065 1.353 ( -1.238 0.000 -1.024) 1.606 1.368 ( 0.197 0.000 -1.866) 1.876 1.384 ( 1.634 0.000 -0.582) 1.735 1.534 ( 0.563 0.000 -0.613) 0.833 1.540 ( 1.337 0.000 -1.775) 2.222 1.602 ( 2.949 0.000 -0.392) 2.975 1.653 ( 3.050 0.000 2.039) 3.669 1.660 ( 2.964 0.000 -0.008) 2.964 1.726 ( -1.214 0.000 0.455) 1.297 1.737 ( 1.990 0.000 2.218) 2.980 1.887 ( 10.076 0.000 -2.634) 10.415 1.936 ( -1.937 0.000 4.153) 4.582 2.024 ( 11.050 0.000 1.291) 11.125 2.109 ( -1.235 0.000 2.357) 2.661 2.223 ( 8.001 0.000 8.167) 11.433 2.264 ( 6.303 0.000 4.665) 7.841 2.382 ( 2.839 0.000 2.627) 3.868 2.624 ( 4.012 0.000 2.897) 4.948 2.703 ( 4.397 0.000 -3.297) 5.496 2.735 ( 2.825 0.000 0.721) 2.916 2.814 ( 3.040 0.000 -1.160) 3.254 2.852 ( 5.016 0.000 -3.842) 6.318 3.007 ( 7.309 0.000 -2.918) 7.869 3.082 ( 6.221 0.000 1.377) 6.372 3.098 ( 4.639 0.000 -6.600) 8.068 3.211 ( 4.769 0.000 -7.776) 9.122 4.082 ( -5.411 0.000 -2.527) 5.972 4.287 ( -4.796 0.000 -1.124) 4.926 4.444 ( -1.652 0.000 0.700) 1.794 4.463 ( -7.743 0.000 -0.557) 7.763 4.856 ( -1.947 0.000 4.368) 4.783 5.149 ( 4.412 0.000 -13.609) 14.306 5.171 ( -5.338 0.000 4.138) 6.754 5.544 ( 1.330 0.000 -1.403) 1.933 5.682 ( 7.228 0.000 -4.201) 8.360 5.791 ( 6.536 0.000 -5.621) 8.621 5.917 ( 30.407 0.000 2.698) 30.526 5.988 ( 8.000 0.000 -4.577) 9.217 6.045 ( 12.666 0.000 2.232) 12.861 6.118 ( 15.377 0.000 0.859) 15.401 6.186 ( 3.062 0.000 0.448) 3.094 6.278 ( 14.470 0.000 -2.176) 14.633 6.397 ( 3.841 0.000 11.386) 12.017 6.441 ( 10.784 0.000 7.512) 13.143 6.712 ( 6.885 0.000 10.468) 12.529 6.888 ( 9.551 0.000 13.123) 16.230 7.059 ( 1.726 0.000 -3.628) 4.018 7.082 ( 6.987 0.000 -4.919) 8.545 7.201 ( 4.939 0.000 -4.150) 6.451 7.368 ( 2.684 0.000 -0.188) 2.690 7.544 ( 0.060 0.000 3.969) 3.970 7.562 ( -0.032 0.000 -4.582) 4.582 7.667 ( 0.115 0.000 -4.177) 4.179 7.930 ( -1.299 0.000 -4.493) 4.677 8.144 ( 5.561 0.000 -0.897) 5.633 8.299 ( 5.355 0.000 5.533) 7.700 8.466 ( -3.931 0.000 1.221) 4.116 8.721 ( -4.330 0.000 1.932) 4.742 9.379 ( 3.601 0.000 3.366) 4.930 9.494 ( 8.110 0.000 -3.266) 8.742 9.617 ( 2.232 0.000 2.581) 3.412 9.708 ( 8.530 0.000 -3.499) 9.220 ======================= Grid point 94 (47/96) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 2.376 0.000 2.326) 3.325 0.989 ( 3.573 0.000 5.003) 6.148 1.026 ( 1.762 0.000 -1.245) 2.158 1.048 ( 1.648 0.000 1.065) 1.963 1.128 ( -1.130 0.000 3.639) 3.810 1.161 ( -2.090 0.000 -2.268) 3.084 1.183 ( 0.959 0.000 5.156) 5.244 1.211 ( 0.239 0.000 -0.198) 0.310 1.288 ( -2.826 0.000 1.728) 3.312 1.320 ( -1.196 0.000 -0.701) 1.386 1.330 ( 2.260 0.000 7.873) 8.191 1.366 ( -0.097 0.000 -1.959) 1.961 1.387 ( -0.606 0.000 -2.543) 2.615 1.537 ( -0.531 0.000 -2.701) 2.753 1.544 ( 0.566 0.000 -2.419) 2.485 1.608 ( -0.879 0.000 1.265) 1.540 1.704 ( 1.195 0.000 0.311) 1.235 1.710 ( 2.698 0.000 1.375) 3.028 1.725 ( -0.939 0.000 0.896) 1.298 1.757 ( 0.951 0.000 0.374) 1.021 1.913 ( -0.314 0.000 3.506) 3.520 2.002 ( 2.724 0.000 -1.338) 3.035 2.059 ( -2.728 0.000 2.748) 3.872 2.202 ( 6.286 0.000 1.021) 6.368 2.341 ( 2.949 0.000 6.439) 7.082 2.378 ( 3.938 0.000 5.148) 6.482 2.436 ( 2.193 0.000 -0.062) 2.194 2.691 ( 2.225 0.000 2.859) 3.623 2.760 ( 0.471 0.000 0.619) 0.778 2.774 ( 1.589 0.000 -2.335) 2.824 2.861 ( 1.839 0.000 0.072) 1.840 2.921 ( 2.229 0.000 -3.801) 4.407 3.116 ( 3.895 0.000 -4.063) 5.628 3.168 ( 2.204 0.000 1.770) 2.827 3.171 ( 3.053 0.000 -4.309) 5.281 3.282 ( 2.607 0.000 -7.348) 7.797 4.011 ( -1.418 0.000 -1.499) 2.064 4.213 ( -2.087 0.000 1.030) 2.327 4.334 ( -4.872 0.000 -3.489) 5.992 4.384 ( -2.836 0.000 0.317) 2.854 4.905 ( 5.482 0.000 4.539) 7.118 5.065 ( -5.992 0.000 2.250) 6.401 5.210 ( 3.142 0.000 -13.216) 13.585 5.530 ( -1.607 0.000 -0.918) 1.851 5.736 ( 0.441 0.000 -7.391) 7.404 5.818 ( -0.342 0.000 -6.647) 6.656 6.061 ( 1.807 0.000 -1.118) 2.125 6.109 ( -2.796 0.000 5.700) 6.349 6.209 ( 2.145 0.000 3.680) 4.260 6.268 ( 7.789 0.000 7.804) 11.026 6.335 ( 5.376 0.000 1.747) 5.652 6.458 ( 2.959 0.000 1.782) 3.454 6.521 ( 6.208 0.000 7.675) 9.872 6.654 ( 6.625 0.000 4.705) 8.126 6.827 ( 3.436 0.000 6.131) 7.028 7.043 ( 1.602 0.000 3.599) 3.940 7.149 ( 8.044 0.000 0.662) 8.072 7.229 ( 5.769 0.000 -2.256) 6.194 7.311 ( 5.658 0.000 -3.688) 6.754 7.422 ( 2.505 0.000 -0.949) 2.679 7.532 ( -0.226 0.000 2.690) 2.699 7.553 ( -0.860 0.000 -5.577) 5.643 7.655 ( -1.950 0.000 -3.407) 3.925 7.896 ( -1.800 0.000 -3.559) 3.988 8.263 ( 6.834 0.000 -0.505) 6.852 8.403 ( 4.885 0.000 5.496) 7.353 8.411 ( -2.138 0.000 -0.162) 2.144 8.650 ( -3.315 0.000 1.457) 3.621 9.428 ( 1.000 0.000 3.045) 3.205 9.611 ( 4.141 0.000 -2.969) 5.096 9.642 ( 0.219 0.000 3.866) 3.872 9.822 ( 3.562 0.000 -3.194) 4.784 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 1.017 0.000 3.043) 3.209 0.973 ( -3.678 0.000 4.724) 5.987 1.043 ( -1.491 0.000 1.281) 1.966 1.086 ( 1.877 0.000 2.253) 2.932 1.108 ( -1.134 0.000 3.842) 4.006 1.149 ( 1.281 0.000 -3.386) 3.620 1.188 ( -0.994 0.000 5.657) 5.744 1.205 ( 0.451 0.000 -2.082) 2.130 1.245 ( -1.533 0.000 0.629) 1.657 1.321 ( 0.358 0.000 -0.762) 0.842 1.357 ( -1.210 0.000 -3.630) 3.826 1.375 ( 1.578 0.000 -2.180) 2.691 1.415 ( 4.715 0.000 7.289) 8.681 1.523 ( -0.760 0.000 -2.967) 3.063 1.559 ( 1.256 0.000 -2.721) 2.997 1.593 ( -0.567 0.000 2.122) 2.196 1.667 ( -4.215 0.000 2.235) 4.771 1.699 ( -1.470 0.000 -0.397) 1.523 1.778 ( 3.292 0.000 -0.374) 3.313 1.781 ( 1.183 0.000 -0.720) 1.385 1.902 ( -1.104 0.000 4.170) 4.314 2.008 ( -1.968 0.000 0.219) 1.980 2.030 ( -0.665 0.000 0.946) 1.157 2.240 ( -2.632 0.000 5.386) 5.995 2.334 ( -4.069 0.000 6.457) 7.632 2.396 ( -2.200 0.000 5.143) 5.594 2.449 ( -1.143 0.000 -2.682) 2.915 2.680 ( -3.536 0.000 -0.287) 3.548 2.743 ( -1.281 0.000 3.672) 3.889 2.771 ( -2.232 0.000 -2.923) 3.678 2.874 ( -0.869 0.000 -0.102) 0.875 2.925 ( -1.604 0.000 -3.897) 4.214 3.140 ( -1.169 0.000 -4.113) 4.275 3.158 ( -3.306 0.000 1.622) 3.683 3.197 ( -0.118 0.000 -3.396) 3.398 3.286 ( -1.845 0.000 -7.575) 7.796 4.030 ( 2.923 0.000 0.160) 2.927 4.226 ( 3.320 0.000 2.616) 4.226 4.300 ( 1.728 0.000 -5.032) 5.320 4.394 ( 4.725 0.000 0.539) 4.756 4.944 ( -6.456 0.000 -0.116) 6.457 5.034 ( 6.932 0.000 3.856) 7.933 5.262 ( 3.046 0.000 -12.646) 13.007 5.490 ( -2.639 0.000 -4.158) 4.925 5.728 ( -0.323 0.000 -7.006) 7.014 5.794 ( -1.914 0.000 -3.504) 3.993 6.061 ( -2.351 0.000 5.658) 6.127 6.068 ( -1.173 0.000 1.071) 1.589 6.212 ( -2.327 0.000 3.993) 4.621 6.323 ( -4.439 0.000 4.315) 6.191 6.338 ( -2.687 0.000 5.234) 5.883 6.422 ( -7.303 0.000 2.343) 7.670 6.574 ( -1.546 0.000 5.393) 5.610 6.661 ( -5.989 0.000 3.250) 6.814 6.804 ( -6.189 0.000 5.546) 8.310 7.013 ( -5.204 0.000 4.732) 7.034 7.187 ( -3.916 0.000 -1.032) 4.050 7.217 ( -6.376 0.000 -1.996) 6.681 7.345 ( -2.788 0.000 -1.506) 3.169 7.440 ( 0.535 0.000 2.106) 2.173 7.528 ( -4.569 0.000 -4.805) 6.631 7.546 ( 1.348 0.000 -6.522) 6.660 7.615 ( 0.717 0.000 0.846) 1.109 7.862 ( -1.652 0.000 -2.390) 2.906 8.377 ( -1.392 0.000 -1.988) 2.427 8.394 ( 6.768 0.000 0.075) 6.769 8.487 ( 3.880 0.000 6.130) 7.255 8.596 ( -2.440 0.000 0.347) 2.465 9.411 ( -3.001 0.000 2.538) 3.931 9.625 ( -2.302 0.000 3.472) 4.166 9.642 ( -0.718 0.000 -2.601) 2.698 9.838 ( -1.700 0.000 -2.826) 3.298 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -1.803 0.000 4.929) 5.248 0.885 ( -5.559 0.000 7.345) 9.212 1.003 ( -2.895 0.000 1.375) 3.205 1.088 ( -1.248 0.000 3.242) 3.474 1.090 ( -0.856 0.000 0.761) 1.146 1.159 ( -1.767 0.000 2.756) 3.274 1.159 ( -1.032 0.000 -2.836) 3.018 1.235 ( 0.262 0.000 2.359) 2.373 1.250 ( 3.679 0.000 -3.986) 5.424 1.315 ( -0.723 0.000 -0.636) 0.963 1.327 ( -1.592 0.000 -3.943) 4.253 1.403 ( -0.264 0.000 -3.615) 3.624 1.498 ( 2.437 0.000 4.801) 5.384 1.508 ( -0.337 0.000 -1.755) 1.787 1.577 ( -5.223 0.000 2.464) 5.775 1.580 ( 0.252 0.000 -1.541) 1.561 1.593 ( 0.383 0.000 1.986) 2.023 1.652 ( -3.127 0.000 -1.316) 3.393 1.782 ( -1.377 0.000 -0.238) 1.397 1.785 ( -2.456 0.000 -0.056) 2.456 1.920 ( -7.683 0.000 2.745) 8.159 1.930 ( 3.647 0.000 2.468) 4.403 2.003 ( -2.721 0.000 0.212) 2.729 2.117 ( -9.878 0.000 9.413) 13.644 2.208 ( -8.632 0.000 7.882) 11.689 2.324 ( -4.657 0.000 4.807) 6.693 2.380 ( -5.428 0.000 0.106) 5.429 2.617 ( -2.065 0.000 -4.016) 4.516 2.686 ( -5.367 0.000 -3.068) 6.182 2.714 ( -2.697 0.000 3.440) 4.371 2.824 ( -4.132 0.000 -0.738) 4.197 2.861 ( -4.746 0.000 -3.732) 6.037 3.061 ( -6.241 0.000 1.200) 6.356 3.071 ( -5.655 0.000 -2.943) 6.375 3.167 ( -2.964 0.000 -4.396) 5.302 3.218 ( -4.127 0.000 -8.637) 9.573 4.098 ( 3.836 0.000 2.059) 4.354 4.330 ( 6.938 0.000 3.433) 7.741 4.380 ( 5.972 0.000 -5.023) 7.803 4.557 ( 10.689 0.000 1.060) 10.742 4.818 ( -5.982 0.000 -2.247) 6.391 5.159 ( 5.081 0.000 1.787) 5.386 5.293 ( -0.908 0.000 -14.087) 14.116 5.426 ( -2.819 0.000 -6.962) 7.512 5.726 ( -7.054 0.000 -0.235) 7.058 5.726 ( 0.301 0.000 -5.202) 5.211 5.990 ( -10.674 0.000 3.752) 11.314 5.991 ( -12.155 0.000 4.142) 12.841 6.043 ( -20.462 0.000 3.870) 20.825 6.092 ( -13.609 0.000 0.641) 13.624 6.132 ( -17.582 0.000 -0.015) 17.582 6.213 ( -19.024 0.000 -1.444) 19.079 6.434 ( -5.990 0.000 8.587) 10.470 6.468 ( -11.091 0.000 4.175) 11.851 6.713 ( -2.287 0.000 8.118) 8.434 6.853 ( -9.761 0.000 12.402) 15.783 7.084 ( -5.290 0.000 -3.578) 6.387 7.103 ( -3.446 0.000 -5.096) 6.151 7.258 ( -4.603 0.000 -1.139) 4.742 7.360 ( -7.919 0.000 -4.018) 8.880 7.488 ( 0.824 0.000 2.606) 2.733 7.578 ( 1.539 0.000 -5.033) 5.263 7.635 ( 0.809 0.000 -0.043) 0.810 7.831 ( -1.371 0.000 -1.741) 2.216 8.369 ( 1.040 0.000 -3.808) 3.947 8.509 ( 4.917 0.000 2.040) 5.323 8.560 ( -1.171 0.000 -1.524) 1.922 8.571 ( 5.038 0.000 5.723) 7.624 9.321 ( -6.236 0.000 1.734) 6.473 9.554 ( -5.478 0.000 1.259) 5.621 9.587 ( -4.667 0.000 -2.052) 5.098 9.762 ( -5.894 0.000 -2.194) 6.289 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -5.721 0.000 10.613) 12.057 0.817 ( -5.721 0.000 7.908) 9.760 0.925 ( -5.917 0.000 0.359) 5.928 1.045 ( -5.009 0.000 -0.925) 5.094 1.061 ( -1.461 0.000 0.271) 1.486 1.109 ( -3.629 0.000 -3.267) 4.883 1.134 ( -1.186 0.000 2.016) 2.339 1.246 ( 0.136 0.000 2.819) 2.822 1.259 ( -11.528 0.000 -3.533) 12.057 1.286 ( -3.462 0.000 -1.160) 3.651 1.298 ( -0.874 0.000 -0.681) 1.108 1.323 ( 0.117 0.000 -4.400) 4.401 1.413 ( -11.296 0.000 -2.530) 11.576 1.480 ( -4.660 0.000 -0.453) 4.682 1.516 ( 0.316 0.000 1.985) 2.010 1.534 ( -4.369 0.000 -3.473) 5.581 1.614 ( 1.195 0.000 -0.322) 1.238 1.622 ( -1.683 0.000 5.819) 6.057 1.712 ( -9.625 0.000 1.057) 9.683 1.718 ( -3.571 0.000 -1.355) 3.820 1.765 ( -2.890 0.000 7.664) 8.191 1.908 ( -3.825 0.000 1.121) 3.986 1.941 ( -7.549 0.000 10.676) 13.075 2.027 ( 2.697 0.000 2.567) 3.724 2.077 ( -3.437 0.000 8.786) 9.434 2.257 ( -2.439 0.000 3.926) 4.622 2.293 ( -2.906 0.000 0.565) 2.960 2.559 ( -5.315 0.000 -2.619) 5.925 2.606 ( -1.607 0.000 -6.416) 6.614 2.655 ( -3.486 0.000 4.483) 5.679 2.737 ( -4.186 0.000 -1.222) 4.361 2.753 ( -6.216 0.000 -3.272) 7.025 2.940 ( -7.528 0.000 -2.643) 7.979 2.948 ( -5.321 0.000 0.736) 5.371 3.075 ( -5.650 0.000 -6.452) 8.577 3.153 ( -2.416 0.000 -8.068) 8.422 4.171 ( 3.544 0.000 2.710) 4.461 4.420 ( -3.106 0.000 -3.158) 4.429 4.473 ( 2.957 0.000 3.983) 4.960 4.565 ( -12.126 0.000 -1.400) 12.206 4.883 ( 12.260 0.000 -3.623) 12.784 5.053 ( -26.811 0.000 4.113) 27.124 5.122 ( -14.814 0.000 -10.683) 18.264 5.307 ( -35.489 0.000 -6.156) 36.018 5.352 ( -33.491 0.000 2.120) 33.558 5.444 ( -4.663 0.000 -6.920) 8.344 5.546 ( -11.852 0.000 -2.217) 12.058 5.707 ( -4.234 0.000 -3.840) 5.716 5.793 ( -9.959 0.000 -7.256) 12.323 5.814 ( -4.088 0.000 6.815) 7.947 5.974 ( -7.899 0.000 2.103) 8.174 6.074 ( 0.839 0.000 1.497) 1.716 6.339 ( -2.945 0.000 8.810) 9.290 6.382 ( -2.599 0.000 7.532) 7.968 6.682 ( -1.736 0.000 7.008) 7.220 6.709 ( -6.303 0.000 13.083) 14.522 7.035 ( -0.241 0.000 -3.634) 3.642 7.050 ( -2.035 0.000 -5.244) 5.625 7.187 ( -3.008 0.000 -0.760) 3.102 7.217 ( -6.544 0.000 -4.086) 7.715 7.492 ( -0.679 0.000 3.514) 3.579 7.589 ( 0.039 0.000 -3.743) 3.743 7.656 ( 1.489 0.000 -0.767) 1.675 7.820 ( 0.395 0.000 -2.225) 2.260 8.416 ( 3.975 0.000 -4.257) 5.825 8.563 ( 2.169 0.000 -3.882) 4.447 8.570 ( 1.181 0.000 4.843) 4.985 8.687 ( 6.522 0.000 4.684) 8.030 9.198 ( -6.084 0.000 0.562) 6.109 9.415 ( -9.218 0.000 -1.967) 9.426 9.476 ( -6.674 0.000 -1.292) 6.798 9.623 ( -8.439 0.000 -1.273) 8.534 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -18.154 0.000 6.175) 19.175 0.683 ( -5.995 0.000 12.394) 13.768 0.774 ( -7.765 0.000 3.084) 8.356 0.810 ( -20.197 0.000 -0.838) 20.215 0.997 ( -6.705 0.000 -2.533) 7.167 1.039 ( -2.686 0.000 -1.560) 3.106 1.065 ( -3.193 0.000 -2.790) 4.240 1.083 ( -5.896 0.000 3.990) 7.119 1.124 ( -4.264 0.000 1.185) 4.426 1.261 ( -0.564 0.000 6.863) 6.886 1.271 ( -2.337 0.000 -2.062) 3.117 1.291 ( -3.067 0.000 -1.564) 3.443 1.328 ( -0.819 0.000 -3.354) 3.452 1.394 ( -3.453 0.000 -1.618) 3.813 1.394 ( -6.222 0.000 -4.735) 7.819 1.506 ( -0.980 0.000 0.204) 1.001 1.541 ( -3.918 0.000 7.549) 8.506 1.611 ( 0.009 0.000 -1.881) 1.881 1.620 ( -2.689 0.000 3.106) 4.109 1.721 ( -3.010 0.000 5.699) 6.445 1.723 ( 2.916 0.000 -0.244) 2.926 1.853 ( -2.336 0.000 5.011) 5.529 1.866 ( -1.685 0.000 9.360) 9.510 2.039 ( 1.385 0.000 5.472) 5.645 2.089 ( 0.155 0.000 3.308) 3.312 2.233 ( -0.416 0.000 2.587) 2.620 2.275 ( 0.888 0.000 0.385) 0.967 2.458 ( -4.679 0.000 -2.322) 5.223 2.547 ( -3.835 0.000 -1.273) 4.041 2.626 ( -0.074 0.000 -1.093) 1.096 2.632 ( -6.066 0.000 -2.477) 6.552 2.680 ( -1.795 0.000 -0.535) 1.874 2.805 ( -5.957 0.000 -3.111) 6.720 2.865 ( -3.566 0.000 0.613) 3.618 2.975 ( -4.088 0.000 -6.722) 7.868 3.108 ( -1.998 0.000 -8.245) 8.483 4.024 ( -32.974 0.000 -0.394) 32.977 4.132 ( -28.756 0.000 -7.728) 29.777 4.195 ( -9.228 0.000 2.037) 9.450 4.291 ( -21.024 0.000 0.891) 21.043 4.428 ( -19.347 0.000 9.582) 21.590 4.828 ( -15.568 0.000 2.524) 15.772 4.901 ( 0.755 0.000 -2.269) 2.391 4.955 ( -2.697 0.000 -6.688) 7.211 5.143 ( 10.490 0.000 -2.944) 10.896 5.401 ( -3.409 0.000 -12.950) 13.391 5.533 ( 2.244 0.000 -4.285) 4.837 5.651 ( 0.315 0.000 -7.251) 7.258 5.713 ( -0.805 0.000 -4.656) 4.726 5.798 ( 0.974 0.000 7.284) 7.349 5.822 ( -7.783 0.000 2.462) 8.163 6.051 ( -4.223 0.000 -3.863) 5.724 6.325 ( -3.573 0.000 7.952) 8.718 6.384 ( 6.481 0.000 12.711) 14.268 6.628 ( -2.118 0.000 9.565) 9.797 6.653 ( -1.925 0.000 7.065) 7.323 7.017 ( -1.208 0.000 -5.099) 5.240 7.022 ( -2.151 0.000 -5.227) 5.652 7.138 ( -2.223 0.000 -0.529) 2.285 7.143 ( 0.066 0.000 -2.612) 2.613 7.475 ( -1.040 0.000 3.255) 3.417 7.593 ( 1.079 0.000 -3.624) 3.781 7.683 ( 1.186 0.000 -1.214) 1.697 7.834 ( 0.891 0.000 -3.313) 3.431 8.500 ( 4.870 0.000 -2.895) 5.666 8.546 ( -4.229 0.000 5.183) 6.689 8.654 ( 7.628 0.000 -5.431) 9.364 8.768 ( -2.130 0.000 2.879) 3.581 9.124 ( -0.931 0.000 0.053) 0.933 9.232 ( -7.111 0.000 -1.527) 7.274 9.347 ( -6.548 0.000 -0.685) 6.584 9.452 ( -9.224 0.000 -0.413) 9.233 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 2.635 -1.375 1.263) 3.230 0.394 ( -1.065 -6.274 4.251) 7.653 0.633 ( -1.820 -0.404 11.971) 12.115 0.709 ( -1.748 -1.845 5.788) 6.322 0.839 ( 1.423 -4.079 0.640) 4.367 0.879 ( -2.390 -2.665 4.204) 5.521 1.034 ( -0.624 0.417 0.847) 1.131 1.117 ( 1.183 2.354 2.760) 3.816 1.160 ( -2.080 -2.400 0.392) 3.200 1.219 ( 1.065 4.655 -0.338) 4.788 1.253 ( -1.251 -2.337 -1.546) 3.068 1.278 ( -2.539 1.940 1.957) 3.747 1.317 ( 0.485 0.276 -2.794) 2.849 1.345 ( -0.696 5.629 2.086) 6.044 1.447 ( -0.470 4.343 -0.962) 4.473 1.457 ( -0.038 -1.539 0.032) 1.540 1.528 ( 0.811 -0.744 1.143) 1.587 1.609 ( -0.507 2.196 0.777) 2.384 1.642 ( 0.179 1.971 3.501) 4.021 1.679 ( -2.213 1.379 0.841) 2.739 1.762 ( -0.485 -0.358 7.988) 8.011 1.808 ( 1.930 -0.878 0.394) 2.157 1.857 ( -1.885 -0.141 7.073) 7.321 1.998 ( -1.722 -6.234 6.339) 9.056 2.097 ( 0.439 1.042 3.526) 3.703 2.189 ( 0.677 -3.033 1.912) 3.649 2.363 ( 3.182 3.152 0.895) 4.567 2.422 ( 1.130 1.079 -1.516) 2.177 2.498 ( 2.047 -2.539 -0.364) 3.282 2.515 ( -0.717 0.686 -0.283) 1.032 2.597 ( -0.905 -2.628 -0.675) 2.860 2.692 ( 0.253 -2.966 0.840) 3.093 2.728 ( -1.509 2.909 -4.295) 5.402 2.808 ( -1.110 -0.239 -4.998) 5.125 2.969 ( -0.140 3.123 -5.641) 6.450 3.068 ( -0.479 -0.841 -8.097) 8.155 3.645 ( -1.291 2.220 0.289) 2.584 3.758 ( -1.246 -1.647 1.362) 2.474 4.018 ( -0.536 2.320 -5.071) 5.602 4.058 ( 0.358 0.720 -1.550) 1.746 4.554 ( 3.052 12.649 1.186) 13.066 4.700 ( -4.868 5.774 0.600) 7.576 4.887 ( -0.830 -3.381 -5.648) 6.635 4.977 ( 3.314 -1.372 0.374) 3.607 5.136 ( 0.213 -7.004 -5.460) 8.883 5.281 ( -6.291 -10.712 -0.886) 12.454 5.516 ( -2.543 2.385 -0.984) 3.622 5.589 ( 1.679 0.539 -6.162) 6.409 5.760 ( -0.414 0.316 -1.763) 1.839 5.801 ( 0.383 -2.648 2.986) 4.009 5.867 ( 4.303 4.521 -3.004) 6.927 5.969 ( -0.001 0.854 -3.329) 3.437 6.275 ( 0.038 0.239 8.417) 8.420 6.391 ( -0.327 -5.656 10.427) 11.867 6.656 ( -1.442 4.667 9.053) 10.287 6.761 ( 5.804 3.827 1.768) 7.173 6.956 ( -0.819 -2.916 -0.561) 3.080 7.026 ( -0.838 2.551 -6.990) 7.488 7.055 ( 0.557 -3.893 1.088) 4.080 7.165 ( 1.153 -2.694 -5.918) 6.603 7.487 ( 1.861 2.493 0.283) 3.124 7.626 ( 3.787 -1.683 -3.924) 5.707 7.703 ( -0.828 2.309 -1.723) 2.998 7.837 ( -0.595 -1.128 -4.240) 4.428 8.376 ( -11.989 -3.621 5.537) 13.694 8.406 ( -7.492 -2.682 4.186) 8.991 8.710 ( -1.949 5.715 -0.158) 6.040 8.811 ( 6.201 -0.534 -2.570) 6.734 9.162 ( 2.970 0.755 1.254) 3.312 9.223 ( 2.598 -1.810 0.150) 3.170 9.276 ( -0.371 1.145 -0.413) 1.273 9.305 ( -4.596 0.226 -1.236) 4.764 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 4.173 -5.574 15.644) 17.124 0.639 ( 17.426 -1.556 2.622) 17.691 0.688 ( 3.637 -4.903 3.074) 6.835 0.805 ( 7.782 -1.482 4.194) 8.964 0.889 ( 13.352 2.527 1.128) 13.636 1.018 ( 14.006 -2.451 0.566) 14.230 1.084 ( 4.949 -1.435 1.617) 5.401 1.131 ( -0.612 -1.423 -1.713) 2.310 1.174 ( 3.817 1.240 3.505) 5.329 1.232 ( 0.927 6.291 3.856) 7.436 1.240 ( -0.166 1.296 -1.160) 1.747 1.293 ( 3.906 -2.999 -0.311) 4.934 1.335 ( 1.934 -0.292 -2.571) 3.230 1.370 ( 3.867 4.267 1.395) 5.925 1.433 ( 0.004 3.294 1.198) 3.505 1.463 ( 0.784 -0.809 -1.499) 1.875 1.568 ( 2.152 -1.157 0.940) 2.618 1.609 ( 0.569 1.794 0.291) 1.905 1.648 ( 0.003 2.947 0.034) 2.947 1.668 ( 1.825 1.154 2.199) 3.082 1.771 ( 0.486 0.229 5.943) 5.968 1.828 ( -1.186 -0.767 5.455) 5.635 1.846 ( 2.646 -0.709 3.079) 4.121 1.973 ( -0.853 -4.467 6.529) 7.957 2.103 ( 0.221 -0.002 4.268) 4.273 2.204 ( -0.030 -2.962 3.292) 4.429 2.388 ( 0.237 4.358 0.600) 4.405 2.499 ( 4.675 1.072 0.328) 4.807 2.540 ( 2.794 0.848 3.242) 4.363 2.561 ( 3.775 -2.854 -3.453) 5.858 2.613 ( 3.013 -2.965 0.734) 4.290 2.721 ( 2.688 -1.458 -3.151) 4.391 2.759 ( 4.108 1.651 -2.640) 5.155 2.834 ( 3.957 -0.809 -5.876) 7.130 2.993 ( 2.461 3.009 -5.621) 6.834 3.079 ( 1.894 -0.507 -7.869) 8.110 3.975 ( 30.414 2.992 -1.296) 30.589 4.121 ( 33.115 -2.993 2.677) 33.358 4.201 ( 15.787 7.721 -7.074) 18.945 4.327 ( 23.324 1.280 -0.782) 23.372 4.585 ( -0.785 7.124 0.682) 7.199 4.757 ( 15.945 3.866 2.414) 16.583 4.888 ( 3.859 0.184 -1.604) 4.183 4.995 ( -1.219 -3.143 -0.453) 3.402 5.080 ( -5.626 -6.925 -3.520) 9.591 5.201 ( 1.122 -11.216 -2.852) 11.627 5.469 ( -1.426 5.028 -0.222) 5.231 5.642 ( 3.127 2.037 -4.085) 5.533 5.764 ( 0.255 -6.417 -0.217) 6.426 5.794 ( 2.237 -1.894 -4.591) 5.447 5.973 ( 4.909 2.233 -1.016) 5.488 6.003 ( 3.565 3.613 -2.797) 5.795 6.301 ( 1.904 0.602 9.854) 10.054 6.385 ( -0.770 -4.785 8.110) 9.448 6.632 ( -0.691 5.326 6.912) 8.754 6.847 ( 1.420 1.669 6.560) 6.916 6.955 ( 0.763 -2.071 -0.144) 2.212 7.018 ( 0.840 1.701 -7.989) 8.211 7.073 ( 1.421 -2.397 -0.404) 2.816 7.210 ( 3.420 -4.767 -4.223) 7.229 7.537 ( 2.689 4.751 -1.792) 5.746 7.665 ( -2.324 3.445 -0.843) 4.240 7.694 ( 1.472 -0.671 -3.883) 4.206 7.829 ( 1.590 -2.676 -5.182) 6.045 8.136 ( -9.140 1.797 8.982) 12.940 8.269 ( -6.440 -2.757 5.036) 8.627 8.686 ( -2.548 5.053 1.418) 5.834 8.861 ( -1.823 -2.581 0.471) 3.195 9.215 ( 3.003 0.515 -1.823) 3.550 9.225 ( 3.516 0.261 1.191) 3.721 9.333 ( 7.511 0.936 -2.359) 7.928 9.409 ( 7.870 -2.321 -0.500) 8.221 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 5.663 -4.898 11.870) 14.034 0.742 ( 2.672 -6.301 4.156) 8.007 0.857 ( 6.867 0.780 7.209) 9.987 0.911 ( 5.947 -0.656 1.101) 6.083 1.110 ( 0.370 -1.747 0.445) 1.841 1.147 ( 0.684 -1.229 0.361) 1.452 1.194 ( 6.989 2.997 -0.491) 7.620 1.221 ( 1.324 -1.475 1.212) 2.323 1.237 ( 4.576 1.159 3.401) 5.818 1.278 ( 3.087 0.958 -0.217) 3.240 1.325 ( 9.035 0.335 0.197) 9.043 1.360 ( 3.660 -0.420 -1.093) 3.842 1.379 ( 2.434 0.869 -0.093) 2.587 1.441 ( 3.725 2.985 -0.603) 4.811 1.495 ( 2.736 -1.195 -0.048) 2.986 1.542 ( 7.441 2.052 -0.112) 7.719 1.594 ( 2.680 -1.195 -0.313) 2.951 1.623 ( 0.619 -0.807 -0.786) 1.285 1.696 ( 4.965 3.822 1.230) 6.385 1.725 ( 4.214 2.045 1.748) 4.999 1.779 ( 0.281 1.077 1.175) 1.618 1.838 ( 4.179 -1.528 3.885) 5.907 1.947 ( 6.471 0.647 3.764) 7.514 1.988 ( 2.618 -2.032 6.438) 7.241 2.122 ( 2.195 -1.534 6.282) 6.828 2.186 ( -1.495 -2.553 5.145) 5.935 2.401 ( 1.580 4.765 0.995) 5.118 2.548 ( 2.230 -0.363 2.672) 3.499 2.615 ( 3.460 -0.624 -3.102) 4.689 2.637 ( 4.901 -2.222 0.728) 5.430 2.700 ( 5.004 -1.908 1.278) 5.505 2.801 ( 5.714 -1.215 -2.772) 6.466 2.848 ( 5.239 1.340 -1.667) 5.659 2.938 ( 6.721 -0.773 -6.694) 9.517 3.053 ( 4.290 2.804 -5.223) 7.317 3.132 ( 4.137 -0.241 -7.493) 8.562 4.270 ( -3.264 8.195 -4.514) 9.909 4.368 ( 4.587 3.841 -3.122) 6.748 4.491 ( 0.345 4.534 -0.896) 4.635 4.565 ( 1.031 -0.794 2.552) 2.865 4.905 ( -5.440 -4.820 0.777) 7.310 4.982 ( 7.153 -4.519 -7.453) 11.275 5.116 ( 41.432 3.470 1.985) 41.624 5.226 ( 28.490 -1.926 -0.514) 28.559 5.277 ( 10.993 -2.126 0.095) 11.197 5.360 ( 29.679 -1.564 3.955) 29.982 5.539 ( 8.904 1.300 -3.275) 9.576 5.688 ( 4.395 -2.748 -5.960) 7.899 5.827 ( 9.485 -3.200 0.147) 10.011 5.899 ( 8.878 -0.960 -6.261) 10.906 6.054 ( 5.436 2.741 -0.553) 6.113 6.092 ( 5.413 -0.636 0.837) 5.514 6.338 ( 1.266 -0.687 10.709) 10.806 6.362 ( -1.913 -2.897 6.043) 6.969 6.654 ( 2.861 5.111 7.155) 9.247 6.854 ( 0.612 2.229 12.025) 12.245 6.982 ( 2.070 -0.702 -0.676) 2.287 7.043 ( 2.183 1.370 -8.072) 8.474 7.110 ( 2.547 -1.700 -1.334) 3.340 7.275 ( 3.372 -4.986 -3.035) 6.741 7.540 ( -1.730 3.951 1.312) 4.508 7.653 ( 0.779 4.152 -0.937) 4.326 7.685 ( -0.618 1.607 -4.390) 4.716 7.889 ( 2.852 -3.702 -5.901) 7.527 8.076 ( 1.450 1.442 3.455) 4.015 8.200 ( -0.399 -3.014 5.660) 6.425 8.608 ( -4.981 4.529 2.073) 7.044 8.783 ( -5.109 -2.721 1.705) 6.034 9.309 ( 4.715 0.765 2.579) 5.428 9.330 ( 8.021 0.040 -2.343) 8.357 9.515 ( 10.552 -0.119 -3.117) 11.003 9.538 ( 5.847 -1.187 -0.028) 5.967 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 4.220 -4.314 6.022) 8.525 0.816 ( 4.995 -5.794 7.432) 10.666 0.956 ( 2.701 -0.282 4.706) 5.433 1.010 ( 4.736 0.290 -0.253) 4.751 1.119 ( 0.630 -2.180 -1.342) 2.636 1.140 ( -1.030 -1.222 2.012) 2.569 1.217 ( -0.658 1.084 -0.335) 1.311 1.222 ( -0.256 1.967 3.711) 4.208 1.276 ( -0.982 -2.787 3.770) 4.791 1.300 ( 0.115 -1.212 0.689) 1.399 1.381 ( 0.048 3.439 1.292) 3.674 1.389 ( 0.440 1.771 -0.824) 2.002 1.472 ( 2.819 3.765 -0.754) 4.764 1.502 ( 0.320 -1.589 -1.429) 2.161 1.550 ( 2.239 -0.386 0.156) 2.277 1.588 ( 1.291 -0.235 -0.890) 1.585 1.623 ( 1.095 -0.711 0.547) 1.416 1.669 ( 3.081 -1.045 -0.336) 3.271 1.739 ( 0.055 2.449 1.172) 2.716 1.802 ( 2.030 2.944 0.387) 3.597 1.901 ( 6.785 1.546 -0.928) 7.021 1.938 ( 3.279 1.054 2.505) 4.259 2.032 ( 9.015 -0.300 0.733) 9.050 2.072 ( -0.346 -3.202 3.557) 4.798 2.192 ( 5.881 -1.679 8.205) 10.234 2.234 ( 6.307 -1.787 5.967) 8.864 2.456 ( 3.857 5.366 1.329) 6.740 2.613 ( 4.119 -0.837 2.832) 5.068 2.682 ( 3.891 -1.812 -3.548) 5.569 2.717 ( 3.363 -1.761 0.488) 3.827 2.790 ( 4.297 -0.191 2.497) 4.974 2.910 ( 4.977 2.572 -4.721) 7.327 2.954 ( 5.952 -3.048 1.914) 6.955 3.054 ( 5.436 -1.631 -7.101) 9.090 3.146 ( 5.440 2.979 -4.286) 7.539 3.219 ( 5.007 0.135 -6.946) 8.564 4.159 ( -6.067 6.959 -3.263) 9.792 4.326 ( -5.178 3.288 -1.082) 6.228 4.445 ( -4.885 -1.009 -1.448) 5.194 4.462 ( -7.868 -0.650 -0.369) 7.903 4.857 ( 1.416 1.194 3.248) 3.739 5.058 ( 1.874 -6.210 -8.223) 10.474 5.251 ( -1.034 6.192 -1.343) 6.420 5.558 ( -0.910 -0.017 -3.178) 3.306 5.631 ( 6.731 -3.936 -1.747) 7.990 5.751 ( 9.570 -4.451 -0.245) 10.557 5.917 ( 26.286 0.071 3.327) 26.496 5.976 ( 12.703 -1.664 0.546) 12.823 6.017 ( 14.814 0.155 -3.619) 15.251 6.112 ( 5.086 -1.024 0.041) 5.188 6.222 ( 9.837 2.638 -0.386) 10.191 6.289 ( 14.269 0.714 -1.655) 14.382 6.384 ( 5.296 -1.228 10.597) 11.911 6.405 ( 11.959 -2.382 8.061) 14.618 6.748 ( 6.413 3.903 8.059) 11.014 6.919 ( 5.701 0.528 10.162) 11.664 7.035 ( 3.712 -0.268 -1.410) 3.980 7.107 ( 5.843 0.990 -7.804) 9.799 7.178 ( 5.098 -0.713 -1.113) 5.266 7.334 ( 3.123 -4.421 -2.137) 5.819 7.516 ( -0.843 2.630 1.368) 3.082 7.652 ( -0.441 -1.537 -2.611) 3.061 7.687 ( 0.302 6.708 -2.908) 7.318 7.901 ( -0.802 -2.922 -3.999) 5.017 8.152 ( 5.595 0.988 0.473) 5.701 8.254 ( 4.655 -3.340 4.745) 7.439 8.526 ( -3.369 4.658 1.401) 5.917 8.694 ( -4.230 -2.630 1.637) 5.243 9.394 ( 3.778 1.390 3.110) 5.087 9.472 ( 6.247 -1.867 -0.830) 6.573 9.635 ( 4.506 1.531 0.393) 4.775 9.697 ( 8.223 -1.044 -3.137) 8.862 ======================= Grid point 103 (56/96) ======================= q-point: ( 0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 3.065 -3.127 5.044) 6.679 0.911 ( 3.622 -6.671 7.932) 10.979 0.974 ( 0.027 -1.618 1.846) 2.455 1.062 ( -0.259 -2.142 -0.725) 2.276 1.113 ( -0.945 0.350 -0.172) 1.022 1.119 ( -1.295 -2.303 0.337) 2.664 1.218 ( 1.099 1.197 1.951) 2.539 1.229 ( 0.618 2.356 2.523) 3.507 1.272 ( 0.218 -2.261 2.934) 3.711 1.287 ( 0.137 -1.085 2.342) 2.585 1.370 ( -1.161 4.483 2.079) 5.076 1.396 ( 0.788 2.483 0.525) 2.658 1.479 ( -0.838 4.311 -2.331) 4.972 1.509 ( 0.700 -1.617 -1.499) 2.313 1.546 ( -0.812 -0.336 -1.385) 1.641 1.594 ( -0.903 -1.430 0.471) 1.756 1.671 ( 2.739 -0.563 -0.360) 2.819 1.701 ( 0.816 -1.037 -0.312) 1.356 1.769 ( 2.056 2.768 -0.119) 3.450 1.809 ( -1.597 3.821 1.392) 4.369 1.894 ( -0.563 -1.241 2.342) 2.709 2.019 ( -2.533 -3.435 1.793) 4.629 2.051 ( 2.997 3.581 1.315) 4.851 2.202 ( 6.484 -0.731 -0.738) 6.567 2.291 ( 2.852 -2.888 6.795) 7.915 2.340 ( 3.486 -1.648 4.914) 6.246 2.515 ( 1.351 4.785 1.028) 5.078 2.676 ( 1.427 -1.522 2.380) 3.165 2.744 ( 2.221 -1.964 -2.738) 4.036 2.761 ( 0.857 -0.796 0.497) 1.271 2.858 ( 2.517 1.284 3.244) 4.301 2.976 ( 2.343 4.194 -4.994) 6.929 3.050 ( 3.192 -5.062 2.796) 6.606 3.130 ( 2.863 -2.072 -6.470) 7.372 3.228 ( 2.788 2.930 -3.867) 5.596 3.292 ( 2.496 0.308 -6.620) 7.082 4.078 ( -1.815 5.981 -2.747) 6.827 4.244 ( -2.524 2.284 0.115) 3.406 4.333 ( -4.694 -0.595 -2.626) 5.411 4.356 ( -3.025 -2.487 -0.766) 3.990 4.931 ( 5.227 2.315 3.166) 6.535 5.044 ( -2.749 -2.245 -2.369) 4.267 5.252 ( 1.594 5.032 -7.992) 9.578 5.515 ( -2.676 -1.975 -3.650) 4.938 5.688 ( 1.428 -2.537 -2.040) 3.555 5.853 ( 2.729 -0.851 -2.072) 3.530 6.019 ( 0.014 0.573 0.045) 0.575 6.113 ( -0.952 -1.783 3.981) 4.465 6.169 ( 2.036 -2.802 4.018) 5.305 6.243 ( 4.520 -2.723 6.808) 8.614 6.367 ( 5.091 2.989 -0.517) 5.926 6.440 ( 3.535 -1.133 1.853) 4.149 6.557 ( 6.463 2.822 5.338) 8.845 6.645 ( 7.174 -0.924 4.475) 8.506 6.853 ( 2.749 2.610 5.401) 6.599 7.009 ( 1.336 -3.202 2.613) 4.343 7.151 ( 7.134 0.960 0.343) 7.206 7.245 ( 6.561 -0.626 -5.882) 8.834 7.287 ( 4.883 -0.327 1.339) 5.074 7.385 ( 1.487 -3.765 -0.417) 4.069 7.510 ( 0.591 2.684 -1.541) 3.151 7.631 ( -1.798 -1.443 -4.765) 5.294 7.682 ( -0.581 6.217 -0.574) 6.270 7.873 ( -1.713 -2.412 -2.597) 3.936 8.271 ( 6.579 0.792 0.449) 6.641 8.340 ( 3.481 -2.747 3.360) 5.564 8.488 ( -0.653 4.057 1.212) 4.284 8.626 ( -2.997 -2.245 1.060) 3.891 9.444 ( 1.009 1.541 3.050) 3.563 9.549 ( 1.793 -3.463 1.337) 4.123 9.705 ( 2.613 3.534 -0.468) 4.420 9.809 ( 3.543 -1.356 -2.894) 4.772 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.790 -2.733 6.023) 6.661 0.937 ( -1.026 -5.363 5.862) 8.012 0.966 ( -1.855 -2.696 3.065) 4.484 1.035 ( -1.091 -4.135 0.353) 4.291 1.089 ( -1.456 -1.466 2.199) 3.017 1.118 ( 1.536 -0.157 -1.357) 2.056 1.219 ( -0.948 1.631 1.374) 2.334 1.242 ( 0.670 1.924 3.010) 3.634 1.280 ( 0.936 -0.851 0.567) 1.387 1.334 ( 2.447 0.914 2.155) 3.386 1.346 ( -1.078 3.484 -0.087) 3.648 1.425 ( 1.885 2.385 2.183) 3.742 1.467 ( 0.168 3.881 -1.633) 4.214 1.519 ( 0.155 -0.807 -1.933) 2.100 1.542 ( 0.739 -1.398 -1.739) 2.350 1.577 ( -0.538 -1.583 1.234) 2.078 1.669 ( -2.650 1.155 -0.365) 2.914 1.712 ( -1.060 0.318 -0.031) 1.107 1.786 ( 0.653 1.049 0.285) 1.268 1.803 ( 1.153 2.163 -1.414) 2.829 1.879 ( -1.394 -1.693 2.944) 3.671 1.988 ( -0.546 -3.945 0.596) 4.027 2.070 ( -1.265 5.045 2.469) 5.758 2.252 ( -1.609 0.581 3.100) 3.541 2.294 ( -2.958 -2.984 6.379) 7.638 2.360 ( -1.514 -2.071 3.381) 4.244 2.492 ( -3.775 3.078 0.639) 4.912 2.652 ( -3.810 -2.848 0.659) 4.802 2.743 ( -2.443 -0.793 -0.690) 2.660 2.750 ( -1.624 -0.891 -0.219) 1.866 2.877 ( -1.018 1.552 2.516) 3.126 2.989 ( -0.785 4.958 -5.038) 7.111 3.061 ( -2.236 -5.244 2.840) 6.369 3.151 ( -0.385 -1.820 -6.048) 6.328 3.236 ( -1.700 2.622 -3.648) 4.803 3.293 ( -2.058 0.168 -7.003) 7.301 4.091 ( 2.962 5.276 -2.120) 6.411 4.247 ( 2.789 1.163 0.403) 3.048 4.303 ( 1.734 0.306 -4.163) 4.520 4.368 ( 4.774 -2.394 -0.495) 5.363 4.970 ( -4.551 2.363 -0.651) 5.169 5.040 ( 5.711 0.129 3.323) 6.609 5.292 ( 2.750 3.258 -9.341) 10.268 5.460 ( -2.776 -2.451 -5.579) 6.696 5.711 ( 1.240 -0.211 -1.714) 2.126 5.868 ( -0.888 3.695 -3.431) 5.120 6.003 ( -1.572 -0.904 5.542) 5.831 6.086 ( -2.006 -2.042 2.396) 3.733 6.166 ( -2.420 -3.673 3.871) 5.859 6.273 ( -1.635 -4.794 5.207) 7.264 6.360 ( -5.932 2.444 1.187) 6.524 6.410 ( -6.910 -0.631 1.785) 7.165 6.586 ( -4.224 1.247 4.198) 6.084 6.650 ( -7.443 -1.102 2.981) 8.093 6.833 ( -4.751 2.817 5.572) 7.845 6.986 ( -3.798 -2.746 3.705) 5.974 7.170 ( -5.545 0.173 -0.703) 5.592 7.242 ( -6.099 0.066 -3.188) 6.882 7.324 ( -1.594 -0.656 0.301) 1.750 7.404 ( 1.073 -4.297 -1.176) 4.582 7.503 ( -2.649 2.661 -3.212) 4.941 7.578 ( -2.550 -0.081 -2.885) 3.851 7.687 ( 1.146 4.987 -1.060) 5.226 7.842 ( -1.299 -2.087 -1.405) 2.831 8.374 ( 0.356 0.074 -0.364) 0.515 8.392 ( 5.895 -0.243 0.867) 5.964 8.505 ( 2.236 1.598 3.285) 4.283 8.582 ( -1.561 -1.363 0.389) 2.108 9.427 ( -2.995 1.579 2.638) 4.292 9.544 ( -2.289 -4.095 1.965) 5.086 9.721 ( -1.075 3.901 -1.111) 4.196 9.826 ( -1.523 -1.212 -2.614) 3.259 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -3.788 -3.146 8.600) 9.910 0.895 ( -3.310 -4.126 4.960) 7.251 0.916 ( -3.051 -1.753 3.442) 4.923 1.017 ( -1.831 -5.541 1.404) 6.002 1.079 ( 0.336 -0.169 2.739) 2.764 1.144 ( 0.289 0.724 -0.502) 0.927 1.212 ( 0.380 -0.439 0.457) 0.739 1.252 ( -0.282 0.112 1.402) 1.435 1.295 ( 0.599 0.408 0.483) 0.871 1.322 ( -0.625 7.084 -1.050) 7.188 1.360 ( -0.250 1.462 -0.234) 1.502 1.446 ( -0.110 2.426 -2.153) 3.245 1.467 ( -1.984 -0.365 1.063) 2.280 1.520 ( -0.117 -0.474 -1.245) 1.337 1.559 ( -2.834 -1.640 1.652) 3.668 1.567 ( 1.761 -2.069 0.328) 2.737 1.613 ( -2.089 2.521 0.845) 3.381 1.673 ( -2.033 1.517 -1.962) 3.207 1.768 ( -3.194 -1.141 -0.232) 3.400 1.791 ( -2.269 0.227 -1.043) 2.508 1.893 ( 1.257 -0.850 1.110) 1.880 1.963 ( -3.125 -2.237 -0.655) 3.898 2.010 ( -4.482 4.654 5.708) 8.621 2.151 ( -8.286 2.637 7.529) 11.502 2.191 ( -7.594 -1.449 8.100) 11.197 2.296 ( -4.727 -2.447 3.940) 6.622 2.394 ( -5.723 1.602 0.757) 5.991 2.567 ( -4.124 -4.850 -1.229) 6.484 2.669 ( -5.072 -0.580 -2.331) 5.612 2.700 ( -3.190 -1.157 0.381) 3.415 2.820 ( -4.767 1.093 1.875) 5.238 2.946 ( -3.282 6.023 -5.198) 8.606 2.980 ( -5.890 -4.938 2.487) 8.079 3.104 ( -4.405 -0.147 -5.584) 7.114 3.177 ( -3.766 1.212 -3.988) 5.618 3.220 ( -4.527 -0.038 -7.960) 9.157 4.169 ( 4.982 5.923 -1.589) 7.901 4.335 ( 5.893 -0.150 -0.463) 5.913 4.374 ( 4.943 0.315 -4.351) 6.592 4.523 ( 10.504 -3.657 -1.122) 11.179 4.879 ( -4.633 6.206 0.174) 7.747 5.135 ( 3.002 -2.825 2.597) 4.872 5.330 ( 0.866 3.130 -9.289) 9.840 5.414 ( -0.960 -0.578 -6.841) 6.932 5.724 ( -1.148 1.759 -1.506) 2.585 5.806 ( -6.519 4.533 -2.650) 8.371 5.943 ( -10.540 -1.709 7.577) 13.093 5.970 ( -14.235 -1.763 1.551) 14.427 6.050 ( -9.030 -1.069 0.348) 9.100 6.113 ( -23.856 -0.474 -0.853) 23.876 6.128 ( -18.053 0.026 1.203) 18.093 6.189 ( -11.297 -3.766 -0.259) 11.911 6.322 ( -18.196 -2.245 6.072) 19.313 6.469 ( -5.497 -4.388 7.087) 9.984 6.738 ( -5.077 3.946 8.720) 10.834 6.884 ( -5.801 1.205 8.120) 10.052 7.047 ( -5.126 -1.869 -2.360) 5.945 7.114 ( -5.468 -0.726 -4.816) 7.322 7.249 ( -4.736 0.188 -1.909) 5.110 7.345 ( -6.144 -3.227 -5.397) 8.791 7.476 ( 0.457 1.971 2.471) 3.193 7.570 ( 0.878 -0.591 -0.855) 1.361 7.697 ( -0.156 3.827 -1.864) 4.259 7.821 ( -0.735 -1.273 -1.385) 2.020 8.378 ( 0.792 1.138 -3.048) 3.349 8.474 ( 1.934 -2.754 0.342) 3.382 8.565 ( 3.641 0.956 1.160) 3.939 8.590 ( 3.242 0.698 3.733) 4.993 9.337 ( -6.297 1.591 1.832) 6.748 9.467 ( -5.850 -4.720 1.091) 7.596 9.664 ( -4.777 3.803 -1.560) 6.301 9.754 ( -5.647 -0.831 -2.188) 6.113 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -5.749 -3.204 11.861) 13.564 0.811 ( -6.213 -5.524 4.636) 9.519 0.845 ( -5.320 -0.165 5.750) 7.836 0.964 ( -3.720 -3.858 0.801) 5.418 1.084 ( -0.893 -1.776 2.646) 3.310 1.112 ( -3.761 2.706 -1.018) 4.743 1.216 ( -3.940 -3.380 1.514) 5.408 1.222 ( -0.649 -0.189 -1.649) 1.783 1.256 ( -10.464 3.430 -1.319) 11.091 1.304 ( -0.075 2.462 -0.363) 2.490 1.327 ( -3.670 3.293 -0.982) 5.027 1.372 ( -1.390 5.117 -1.069) 5.409 1.419 ( -10.186 -1.547 -1.677) 10.439 1.448 ( -2.313 -1.171 -0.768) 2.704 1.497 ( -1.718 -1.202 -0.393) 2.133 1.567 ( -4.132 0.780 -0.341) 4.218 1.594 ( -1.463 -0.287 2.397) 2.823 1.657 ( -0.900 1.939 -1.124) 2.415 1.690 ( -2.056 -2.752 -0.604) 3.488 1.732 ( -3.890 0.376 -1.084) 4.055 1.813 ( -6.310 4.695 8.053) 11.257 1.877 ( -5.305 -1.087 2.557) 5.988 1.956 ( -3.970 0.711 6.056) 7.276 2.032 ( -2.972 -0.178 6.718) 7.348 2.086 ( -1.416 1.417 7.192) 7.466 2.221 ( -3.114 -3.215 4.572) 6.399 2.312 ( -2.358 1.759 0.592) 3.001 2.503 ( -2.816 -7.474 -0.785) 8.025 2.569 ( -4.842 0.981 -2.864) 5.711 2.638 ( -3.353 -1.197 -0.658) 3.621 2.717 ( -5.516 0.286 1.295) 5.673 2.856 ( -6.039 -0.631 0.104) 6.073 2.874 ( -4.613 2.612 -3.429) 6.314 2.991 ( -6.547 1.301 -4.866) 8.261 3.089 ( -4.983 1.107 -5.528) 7.524 3.145 ( -2.730 -0.873 -7.816) 8.325 4.259 ( 3.734 7.180 -2.389) 8.438 4.389 ( -5.261 -1.814 -5.509) 7.831 4.441 ( 0.938 -0.739 2.369) 2.654 4.650 ( -3.956 -0.427 -3.805) 5.505 4.843 ( 3.286 2.795 -1.166) 4.469 5.047 ( -15.171 -0.216 2.915) 15.450 5.195 ( -23.549 4.451 -5.688) 24.632 5.298 ( -30.009 0.305 -1.451) 30.046 5.375 ( -35.102 1.324 -0.830) 35.137 5.504 ( -3.177 4.528 -5.867) 8.063 5.545 ( -10.979 0.354 -2.831) 11.343 5.621 ( -18.616 -9.163 0.458) 20.754 5.769 ( -1.526 0.630 -2.409) 2.921 5.825 ( -5.263 0.523 0.897) 5.364 5.959 ( -4.230 -0.808 1.841) 4.684 6.088 ( -3.334 -4.540 -0.382) 5.646 6.219 ( 0.754 -0.914 10.354) 10.422 6.413 ( -2.285 -3.910 7.805) 9.024 6.657 ( -3.559 4.027 8.987) 10.471 6.800 ( -3.818 3.796 6.530) 8.463 6.992 ( -0.946 -3.823 -0.648) 3.992 7.039 ( -2.537 -2.013 -4.743) 5.743 7.165 ( -4.172 0.444 -3.276) 5.323 7.238 ( -4.374 -0.758 -4.701) 6.466 7.479 ( -0.433 0.832 2.973) 3.117 7.581 ( 0.024 -1.261 -0.518) 1.363 7.693 ( 0.315 3.270 -2.083) 3.890 7.820 ( 0.730 -0.756 -2.357) 2.581 8.411 ( 2.777 -0.007 -3.566) 4.519 8.490 ( 0.761 -3.592 -1.203) 3.864 8.632 ( 3.231 2.743 2.017) 4.693 8.691 ( 5.941 0.018 4.294) 7.330 9.211 ( -6.393 1.302 0.652) 6.557 9.331 ( -8.157 -4.785 -0.358) 9.463 9.545 ( -7.501 3.550 -1.920) 8.518 9.619 ( -8.245 -0.462 -1.569) 8.406 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -15.011 -2.879 8.209) 17.350 0.622 ( -11.890 -4.574 8.484) 15.306 0.719 ( -7.666 -1.619 7.301) 10.709 0.866 ( -11.402 3.277 0.511) 11.875 0.884 ( -10.783 -6.536 -0.324) 12.613 0.994 ( -9.581 -1.289 -0.502) 9.680 1.076 ( -2.217 -0.904 2.209) 3.257 1.144 ( -4.193 2.106 1.305) 4.870 1.204 ( -1.960 -3.191 1.158) 3.920 1.221 ( -2.652 5.929 -1.712) 6.717 1.297 ( -2.634 -1.148 -1.359) 3.178 1.322 ( -1.030 0.677 -1.425) 1.884 1.344 ( -4.681 0.895 0.218) 4.770 1.367 ( -1.599 5.814 0.979) 6.109 1.458 ( -2.323 0.660 -0.731) 2.523 1.481 ( -2.119 0.676 -1.125) 2.493 1.543 ( -2.176 -1.563 -0.237) 2.690 1.625 ( -1.603 1.053 2.819) 3.410 1.668 ( -2.417 3.357 2.888) 5.045 1.704 ( 0.221 -0.068 0.522) 0.571 1.768 ( 0.475 2.683 3.802) 4.677 1.795 ( -3.083 -1.610 6.194) 7.104 1.893 ( -2.478 0.093 7.822) 8.206 2.014 ( -0.074 -3.176 4.997) 5.921 2.093 ( -0.236 0.698 4.478) 4.538 2.186 ( -0.624 -3.360 3.500) 4.892 2.308 ( 1.690 2.196 0.177) 2.777 2.452 ( -2.764 -3.616 -1.272) 4.725 2.497 ( -2.052 -1.066 -1.214) 2.612 2.567 ( -3.932 0.131 -0.233) 3.941 2.636 ( -3.004 -1.737 -0.464) 3.501 2.747 ( -5.121 -1.309 0.596) 5.319 2.788 ( -4.110 3.062 -3.848) 6.409 2.874 ( -5.120 0.774 -4.775) 7.043 3.006 ( -3.166 2.416 -5.808) 7.042 3.099 ( -1.911 -1.091 -7.756) 8.062 4.004 ( -29.987 0.442 -0.116) 29.990 4.139 ( -33.230 -2.896 -0.455) 33.359 4.223 ( -12.345 2.901 -5.557) 13.846 4.303 ( -20.694 2.159 -2.352) 20.939 4.600 ( -14.535 13.786 3.588) 20.351 4.825 ( -8.707 0.440 -2.516) 9.074 4.902 ( -1.528 -3.373 -2.894) 4.700 4.949 ( -4.947 3.263 -0.796) 5.979 5.070 ( 4.986 -4.813 -2.832) 7.487 5.399 ( -6.675 -9.841 -2.981) 12.259 5.533 ( 0.942 1.605 -3.338) 3.822 5.566 ( 3.506 1.299 -7.175) 8.091 5.741 ( -0.583 2.235 -1.856) 2.963 5.787 ( 0.586 -1.131 5.588) 5.731 5.872 ( -3.995 2.048 -1.284) 4.670 6.018 ( -3.963 -3.759 -2.042) 5.831 6.266 ( 1.724 -0.904 7.778) 8.017 6.386 ( -0.511 -4.162 9.983) 10.828 6.631 ( 0.973 5.251 9.574) 10.963 6.741 ( -2.612 4.345 4.316) 6.658 6.980 ( -1.256 -3.376 -0.945) 3.724 7.017 ( 0.867 -3.689 -1.210) 3.978 7.087 ( -3.426 1.248 -5.344) 6.470 7.177 ( -1.894 -0.551 -5.081) 5.450 7.472 ( -0.158 0.962 2.263) 2.464 7.583 ( 0.862 -1.660 -1.745) 2.558 7.704 ( 0.613 2.786 -2.004) 3.486 7.837 ( 0.796 -0.757 -3.415) 3.587 8.460 ( 1.457 -2.497 -1.191) 3.126 8.494 ( -1.641 -3.427 1.272) 4.006 8.698 ( 4.572 2.903 -1.079) 5.522 8.770 ( 0.003 -0.286 2.769) 2.784 9.131 ( -1.096 0.735 0.132) 1.326 9.194 ( -4.162 -2.408 -0.393) 4.824 9.391 ( -8.102 2.853 -1.328) 8.692 9.452 ( -9.024 -0.209 -0.930) 9.074 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 0.339 -0.931 4.285) 4.398 0.297 ( 0.339 0.931 4.285) 4.398 0.646 ( -1.894 -1.924 8.253) 8.684 0.646 ( -1.894 1.924 8.253) 8.684 0.838 ( -0.128 -1.676 3.613) 3.985 0.838 ( -0.128 1.676 3.613) 3.985 1.063 ( -0.540 -3.446 4.417) 5.628 1.063 ( -0.540 3.446 4.417) 5.628 1.198 ( -1.210 -2.852 -1.141) 3.302 1.198 ( -1.210 2.852 -1.141) 3.302 1.274 ( 0.423 -2.248 -2.082) 3.093 1.274 ( 0.423 2.248 -2.082) 3.093 1.401 ( -0.451 -2.199 -0.746) 2.365 1.401 ( -0.451 2.199 -0.746) 2.365 1.439 ( -1.151 -2.897 0.905) 3.246 1.439 ( -1.151 2.897 0.905) 3.246 1.577 ( 0.671 -4.657 1.274) 4.874 1.577 ( 0.671 4.657 1.274) 4.874 1.709 ( -0.626 -0.344 1.124) 1.332 1.709 ( -0.626 0.344 1.124) 1.332 1.789 ( -0.675 -2.993 5.693) 6.467 1.789 ( -0.675 2.993 5.693) 6.467 1.862 ( -1.570 -3.791 7.501) 8.549 1.862 ( -1.570 3.791 7.501) 8.549 2.131 ( 0.477 -2.419 2.830) 3.754 2.131 ( 0.477 2.419 2.830) 3.754 2.414 ( 3.960 -2.037 0.804) 4.525 2.414 ( 3.960 2.037 0.804) 4.525 2.502 ( 0.255 -2.580 -3.080) 4.026 2.502 ( 0.255 2.580 -3.080) 4.026 2.605 ( -1.271 -4.021 3.149) 5.263 2.605 ( -1.271 4.021 3.149) 5.263 2.788 ( -1.398 -2.105 -6.420) 6.900 2.788 ( -1.398 2.105 -6.420) 6.900 3.032 ( -0.185 -2.712 -6.613) 7.150 3.032 ( -0.185 2.712 -6.613) 7.150 3.705 ( -0.827 -3.281 1.339) 3.639 3.705 ( -0.827 3.281 1.339) 3.639 4.058 ( 0.300 -1.069 -3.962) 4.115 4.058 ( 0.300 1.069 -3.962) 4.115 4.774 ( 0.076 -7.704 -4.665) 9.007 4.774 ( 0.076 7.704 -4.665) 9.007 4.891 ( -0.390 -10.932 -7.471) 13.247 4.891 ( -0.390 10.932 -7.471) 13.247 5.073 ( -3.246 -4.802 6.594) 8.779 5.073 ( -3.246 4.802 6.594) 8.779 5.586 ( -0.592 -2.792 -2.405) 3.732 5.586 ( -0.592 2.792 -2.405) 3.732 5.756 ( -1.514 -0.480 0.529) 1.674 5.756 ( -1.514 0.480 0.529) 1.674 5.952 ( 3.908 -2.850 -3.777) 6.137 5.952 ( 3.908 2.850 -3.777) 6.137 6.300 ( 0.124 -2.700 7.928) 8.376 6.300 ( 0.124 2.700 7.928) 8.376 6.764 ( 0.016 -4.475 7.101) 8.393 6.764 ( 0.016 4.475 7.101) 8.393 6.956 ( 2.320 -4.091 1.921) 5.081 6.956 ( 2.320 4.091 1.921) 5.081 7.095 ( -1.180 -3.591 -8.314) 9.132 7.095 ( -1.180 3.591 -8.314) 9.132 7.559 ( 3.499 -4.133 -2.537) 5.980 7.559 ( 3.499 4.133 -2.537) 5.980 7.781 ( -0.908 -4.181 -3.110) 5.289 7.781 ( -0.908 4.181 -3.110) 5.289 8.359 ( -8.172 -1.462 4.528) 9.456 8.359 ( -8.172 1.462 4.528) 9.456 8.786 ( 1.992 -2.218 -0.743) 3.072 8.786 ( 1.992 2.218 -0.743) 3.072 9.186 ( 3.539 -1.644 0.875) 3.999 9.186 ( 3.539 1.644 0.875) 3.999 9.299 ( -3.743 -0.837 -1.087) 3.986 9.299 ( -3.743 0.837 -1.087) 3.986 ======================= Grid point 110 (62/96) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 7.241 -4.374 7.430) 11.259 0.504 ( 7.241 4.374 7.430) 11.259 0.735 ( 10.351 -4.297 5.610) 12.533 0.735 ( 10.351 4.297 5.610) 12.533 0.962 ( 13.702 -3.679 0.794) 14.210 0.962 ( 13.702 3.679 0.794) 14.210 1.082 ( 1.779 -1.939 3.700) 4.541 1.082 ( 1.779 1.939 3.700) 4.541 1.214 ( 3.039 -2.704 -1.524) 4.345 1.214 ( 3.039 2.704 -1.524) 4.345 1.292 ( 1.406 -2.415 -1.064) 2.990 1.292 ( 1.406 2.415 -1.064) 2.990 1.396 ( 1.187 -3.926 0.423) 4.123 1.396 ( 1.187 3.926 0.423) 4.123 1.442 ( 1.299 -2.474 0.989) 2.964 1.442 ( 1.299 2.474 0.989) 2.964 1.585 ( 0.227 -2.675 0.684) 2.770 1.585 ( 0.227 2.675 0.684) 2.770 1.709 ( 0.948 -0.751 0.894) 1.503 1.709 ( 0.948 0.751 0.894) 1.503 1.794 ( 0.187 -1.918 5.275) 5.616 1.794 ( 0.187 1.918 5.275) 5.616 1.863 ( 1.998 -4.117 6.558) 7.997 1.863 ( 1.998 4.117 6.558) 7.997 2.137 ( -0.264 -3.094 4.167) 5.197 2.137 ( -0.264 3.094 4.167) 5.197 2.479 ( 1.583 -4.300 -0.187) 4.586 2.479 ( 1.583 4.300 -0.187) 4.586 2.534 ( 3.727 -2.371 -0.338) 4.430 2.534 ( 3.727 2.371 -0.338) 4.430 2.632 ( 3.153 -4.823 2.581) 6.314 2.632 ( 3.153 4.823 2.581) 6.314 2.814 ( 4.052 -1.961 -7.488) 8.737 2.814 ( 4.052 1.961 -7.488) 8.737 3.050 ( 2.160 -2.364 -6.358) 7.118 3.050 ( 2.160 2.364 -6.358) 7.118 4.049 ( 31.762 -3.962 0.846) 32.019 4.049 ( 31.762 3.962 0.846) 32.019 4.322 ( 23.207 -2.912 -4.653) 23.847 4.322 ( 23.207 2.912 -4.653) 23.847 4.746 ( -0.725 -7.764 -2.638) 8.232 4.746 ( -0.725 7.764 -2.638) 8.232 4.955 ( 8.255 -7.561 -2.226) 11.413 4.955 ( 8.255 7.561 -2.226) 11.413 4.987 ( -4.171 -0.460 0.642) 4.245 4.987 ( -4.171 0.460 0.642) 4.245 5.594 ( 0.803 -7.149 1.665) 7.384 5.594 ( 0.803 7.149 1.665) 7.384 5.731 ( 0.515 -3.804 -3.327) 5.080 5.731 ( 0.515 3.804 -3.327) 5.080 6.027 ( 3.693 -1.524 -2.701) 4.823 6.027 ( 3.693 1.524 -2.701) 4.823 6.315 ( 0.814 -1.579 7.479) 7.688 6.315 ( 0.814 1.579 7.479) 7.688 6.763 ( -0.154 -6.962 7.347) 10.123 6.763 ( -0.154 6.962 7.347) 10.123 7.005 ( 1.975 -3.879 1.731) 4.684 7.005 ( 1.975 3.879 1.731) 4.684 7.096 ( 1.968 -5.322 -7.301) 9.247 7.096 ( 1.968 5.322 -7.301) 9.247 7.637 ( 3.336 -4.437 -4.601) 7.210 7.637 ( 3.336 4.437 -4.601) 7.210 7.755 ( -0.620 -4.547 -2.842) 5.398 7.755 ( -0.620 4.547 -2.842) 5.398 8.198 ( -7.361 -3.842 6.484) 10.535 8.198 ( -7.361 3.842 6.484) 10.535 8.788 ( -2.649 -4.573 1.071) 5.392 8.788 ( -2.649 4.573 1.071) 5.392 9.225 ( 3.243 -0.309 -0.678) 3.327 9.225 ( 3.243 0.309 -0.678) 3.327 9.362 ( 7.571 -1.972 -0.676) 7.852 9.362 ( 7.571 1.972 -0.676) 7.852 ======================= Grid point 112 (63/96) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 5.013 -3.882 9.381) 11.323 0.608 ( 5.013 3.882 9.381) 11.323 0.896 ( 6.167 -1.872 4.637) 7.940 0.896 ( 6.167 1.872 4.637) 7.940 1.103 ( 0.841 -1.623 1.350) 2.273 1.103 ( 0.841 1.623 1.350) 2.273 1.219 ( 5.301 -0.666 -1.376) 5.517 1.219 ( 5.301 0.666 -1.376) 5.517 1.260 ( 2.281 -1.335 2.698) 3.776 1.260 ( 2.281 1.335 2.698) 3.776 1.346 ( 5.923 -1.889 -1.283) 6.347 1.346 ( 5.923 1.889 -1.283) 6.347 1.432 ( 1.486 -3.709 -0.286) 4.006 1.432 ( 1.486 3.709 -0.286) 4.006 1.528 ( 5.903 -3.908 1.339) 7.205 1.528 ( 5.903 3.908 1.339) 7.205 1.598 ( 1.885 -2.218 -0.658) 2.984 1.598 ( 1.885 2.218 -0.658) 2.984 1.751 ( 3.240 -1.779 -0.394) 3.717 1.751 ( 3.240 1.779 -0.394) 3.717 1.807 ( 3.071 -2.043 2.917) 4.703 1.807 ( 3.071 2.043 2.917) 4.703 1.954 ( 6.053 -1.153 6.139) 8.698 1.954 ( 6.053 1.153 6.139) 8.698 2.128 ( -0.190 -2.433 6.397) 6.846 2.128 ( -0.190 2.433 6.397) 6.846 2.502 ( 1.852 -4.531 0.062) 4.896 2.502 ( 1.852 4.531 0.062) 4.896 2.608 ( 3.609 -1.249 -0.286) 3.830 2.608 ( 3.609 1.249 -0.286) 3.830 2.720 ( 5.836 -3.820 3.433) 7.774 2.720 ( 5.836 3.820 3.433) 7.774 2.909 ( 5.757 -2.468 -7.377) 9.678 2.909 ( 5.757 2.468 -7.377) 9.678 3.107 ( 4.318 -2.223 -6.173) 7.854 3.107 ( 4.318 2.223 -6.173) 7.854 4.418 ( 0.832 -2.671 -4.675) 5.448 4.418 ( 0.832 2.671 -4.675) 5.448 4.532 ( -1.771 -1.003 -0.372) 2.069 4.532 ( -1.771 1.003 -0.372) 2.069 4.884 ( 1.468 -3.589 -3.090) 4.959 4.884 ( 1.468 3.589 -3.090) 4.959 5.180 ( 37.123 -2.393 -0.812) 37.209 5.180 ( 37.123 2.393 -0.812) 37.209 5.291 ( 22.763 -4.016 2.650) 23.266 5.291 ( 22.763 4.016 2.650) 23.266 5.598 ( 1.165 -4.528 -1.937) 5.061 5.598 ( 1.165 4.528 -1.937) 5.061 5.839 ( 12.478 -3.509 -1.130) 13.011 5.839 ( 12.478 3.509 -1.130) 13.011 6.094 ( 4.213 -1.327 -1.043) 4.538 6.094 ( 4.213 1.327 -1.043) 4.538 6.326 ( -0.095 -0.562 7.390) 7.412 6.326 ( -0.095 0.562 7.390) 7.412 6.782 ( 2.087 -6.644 7.345) 10.122 6.782 ( 2.087 6.644 7.345) 10.122 7.032 ( 1.415 -2.970 -1.740) 3.721 7.032 ( 1.415 2.970 -1.740) 3.721 7.152 ( 3.746 -5.918 -3.358) 7.767 7.152 ( 3.746 5.918 -3.358) 7.767 7.631 ( -2.285 -3.834 -1.468) 4.698 7.631 ( -2.285 3.834 -1.468) 4.698 7.790 ( 2.817 -5.913 -4.849) 8.149 7.790 ( 2.817 5.913 -4.849) 8.149 8.129 ( 0.093 -3.561 5.193) 6.297 8.129 ( 0.093 3.561 5.193) 6.297 8.706 ( -5.043 -4.688 1.809) 7.119 8.706 ( -5.043 4.688 1.809) 7.119 9.325 ( 6.188 -0.594 0.357) 6.226 9.325 ( 6.188 0.594 0.357) 6.226 9.518 ( 8.523 -0.582 -1.499) 8.673 9.518 ( 8.523 0.582 -1.499) 8.673 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 4.947 -2.900 9.559) 11.147 0.709 ( 4.947 2.900 9.559) 11.147 0.981 ( 2.338 -2.481 3.170) 4.655 0.981 ( 2.338 2.481 3.170) 4.655 1.115 ( 0.644 -1.430 -1.047) 1.886 1.115 ( 0.644 1.430 -1.047) 1.886 1.221 ( -0.906 -1.238 2.461) 2.901 1.221 ( -0.906 1.238 2.461) 2.901 1.282 ( -0.320 -1.501 2.016) 2.534 1.282 ( -0.320 1.501 2.016) 2.534 1.420 ( 0.867 -0.720 -0.424) 1.204 1.420 ( 0.867 0.720 -0.424) 1.204 1.484 ( 2.543 -0.989 0.598) 2.793 1.484 ( 2.543 0.989 0.598) 2.793 1.572 ( 0.476 -1.696 0.230) 1.776 1.572 ( 0.476 1.696 0.230) 1.776 1.638 ( 1.592 -1.816 -0.776) 2.536 1.638 ( 1.592 1.816 -0.776) 2.536 1.796 ( 2.010 -2.688 -0.437) 3.385 1.796 ( 2.010 2.688 -0.437) 3.385 1.952 ( 5.715 -2.833 -1.685) 6.598 1.952 ( 5.715 2.833 -1.685) 6.598 2.018 ( 3.001 -2.590 5.522) 6.798 2.018 ( 3.001 2.590 5.522) 6.798 2.195 ( 6.240 -1.713 7.192) 9.674 2.195 ( 6.240 1.713 7.192) 9.674 2.561 ( 3.884 -4.542 0.287) 5.983 2.561 ( 3.884 4.542 0.287) 5.983 2.675 ( 3.578 -1.564 -0.346) 3.920 2.675 ( 3.578 1.564 -0.346) 3.920 2.839 ( 5.988 -4.470 4.246) 8.594 2.839 ( 5.988 4.470 4.246) 8.594 3.005 ( 4.521 -3.352 -6.702) 8.752 3.005 ( 4.521 3.352 -6.702) 8.752 3.200 ( 5.348 -2.027 -6.003) 8.291 3.200 ( 5.348 2.027 -6.003) 8.291 4.316 ( -6.922 -6.823 -4.312) 10.633 4.316 ( -6.922 6.823 -4.312) 10.633 4.432 ( -7.006 -2.254 0.561) 7.381 4.432 ( -7.006 2.254 0.561) 7.381 4.931 ( 3.328 -5.701 -3.364) 7.409 4.931 ( 3.328 5.701 -3.364) 7.409 5.425 ( 0.381 -10.179 -3.680) 10.831 5.425 ( 0.381 10.179 -3.680) 10.831 5.651 ( 5.631 -4.244 2.104) 7.358 5.651 ( 5.631 4.244 2.104) 7.358 5.928 ( 24.716 -1.485 4.385) 25.146 5.928 ( 24.716 1.485 4.385) 25.146 6.072 ( 5.863 -2.953 -4.499) 7.958 6.072 ( 5.863 2.953 -4.499) 7.958 6.275 ( 11.100 -2.215 -0.483) 11.330 6.275 ( 11.100 2.215 -0.483) 11.330 6.372 ( 10.966 -0.626 9.016) 14.210 6.372 ( 10.966 0.626 9.016) 14.210 6.853 ( 4.705 -5.539 6.198) 9.552 6.853 ( 4.705 5.539 6.198) 9.552 7.078 ( 4.267 -2.978 -3.182) 6.099 7.078 ( 4.267 2.978 -3.182) 6.099 7.230 ( 4.758 -4.891 -1.460) 6.978 7.230 ( 4.758 4.891 -1.460) 6.978 7.595 ( -1.229 -3.929 -1.200) 4.288 7.595 ( -1.229 3.929 -1.200) 4.288 7.814 ( 0.069 -5.561 -3.187) 6.410 7.814 ( 0.069 5.561 -3.187) 6.410 8.190 ( 5.113 -2.710 3.067) 6.549 8.190 ( 5.113 2.710 3.067) 6.549 8.621 ( -3.800 -4.403 1.331) 5.966 8.621 ( -3.800 4.403 1.331) 5.966 9.430 ( 4.476 -2.094 1.905) 5.296 9.430 ( 4.476 2.094 1.905) 5.296 9.669 ( 7.040 -1.677 -1.965) 7.499 9.669 ( 7.040 1.677 -1.965) 7.499 ======================= Grid point 116 (65/96) ======================= q-point: ( 0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 3.354 -3.299 9.327) 10.446 0.795 ( 3.354 3.299 9.327) 10.446 0.988 ( -1.020 -3.046 1.601) 3.589 0.988 ( -1.020 3.046 1.601) 3.589 1.114 ( -1.022 -0.781 -0.877) 1.556 1.114 ( -1.022 0.781 -0.877) 1.556 1.235 ( 2.039 -0.983 2.339) 3.255 1.235 ( 2.039 0.983 2.339) 3.255 1.270 ( -0.447 -1.100 3.251) 3.460 1.270 ( -0.447 1.100 3.251) 3.460 1.431 ( 0.647 -1.226 -0.267) 1.412 1.431 ( 0.647 1.226 -0.267) 1.412 1.497 ( -0.133 -2.027 -0.251) 2.047 1.497 ( -0.133 2.027 -0.251) 2.047 1.561 ( -1.395 -1.805 0.304) 2.301 1.561 ( -1.395 1.805 0.304) 2.301 1.679 ( 2.340 -1.073 -1.140) 2.815 1.679 ( 2.340 1.073 -1.140) 2.815 1.828 ( 1.236 -2.529 -1.065) 3.010 1.828 ( 1.236 2.529 -1.065) 3.010 1.924 ( -3.494 -4.748 3.324) 6.768 1.924 ( -3.494 4.748 3.324) 6.768 2.140 ( 5.011 -4.524 0.392) 6.762 2.140 ( 5.011 4.524 0.392) 6.762 2.298 ( 3.303 -2.249 5.857) 7.090 2.298 ( 3.303 2.249 5.857) 7.090 2.610 ( 0.498 -4.563 0.404) 4.608 2.610 ( 0.498 4.563 0.404) 4.608 2.735 ( 2.071 -1.118 -0.068) 2.355 2.735 ( 2.071 1.118 -0.068) 2.355 2.932 ( 3.207 -5.330 4.285) 7.553 2.932 ( 3.207 5.330 4.285) 7.553 3.070 ( 2.532 -3.886 -6.072) 7.641 3.070 ( 2.532 3.886 -6.072) 7.641 3.278 ( 2.598 -1.750 -5.847) 6.634 3.278 ( 2.598 1.750 -5.847) 6.634 4.213 ( -3.052 -6.195 -3.963) 7.962 4.213 ( -3.052 6.195 -3.963) 7.962 4.325 ( -3.368 -1.401 -0.199) 3.653 4.325 ( -3.368 1.401 -0.199) 3.653 4.987 ( 2.473 -3.031 -1.266) 4.112 4.987 ( 2.473 3.031 -1.266) 4.112 5.403 ( -1.333 -8.352 -6.454) 10.639 5.403 ( -1.333 8.352 -6.454) 10.639 5.735 ( 3.412 -6.917 3.815) 8.605 5.735 ( 3.412 6.917 3.815) 8.605 6.081 ( -0.298 -3.745 1.541) 4.061 6.081 ( -0.298 3.745 1.541) 4.061 6.164 ( 1.752 -4.243 3.745) 5.924 6.164 ( 1.752 4.243 3.745) 5.924 6.416 ( 4.693 -1.590 0.043) 4.955 6.416 ( 4.693 1.590 0.043) 4.955 6.613 ( 7.025 -2.339 4.373) 8.600 6.613 ( 7.025 2.339 4.373) 8.600 6.927 ( 1.648 -4.386 3.459) 5.824 6.927 ( 1.648 4.386 3.459) 5.824 7.194 ( 6.326 -2.964 -2.532) 7.431 7.194 ( 6.326 2.964 -2.532) 7.431 7.319 ( 3.397 -2.605 0.433) 4.302 7.319 ( 3.397 2.605 0.433) 4.302 7.579 ( -0.441 -3.386 -3.090) 4.606 7.579 ( -0.441 3.386 -3.090) 4.606 7.798 ( -1.356 -4.909 -1.230) 5.239 7.798 ( -1.356 4.909 -1.230) 5.239 8.296 ( 5.397 -1.705 2.234) 6.085 8.296 ( 5.397 1.705 2.234) 6.085 8.566 ( -2.107 -3.554 0.673) 4.186 8.566 ( -2.107 3.554 0.673) 4.186 9.487 ( 1.175 -2.657 2.671) 3.946 9.487 ( 1.175 2.657 2.671) 3.946 9.768 ( 3.325 -2.633 -2.024) 4.699 9.768 ( 3.325 2.633 -2.024) 4.699 ======================= Grid point 118 (66/96) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 0.166 -2.682 8.649) 9.057 0.836 ( 0.166 2.682 8.649) 9.057 0.963 ( -1.575 -2.029 1.456) 2.953 0.963 ( -1.575 2.029 1.456) 2.953 1.097 ( -0.190 -1.432 0.498) 1.528 1.097 ( -0.190 1.432 0.498) 1.528 1.244 ( -0.536 -0.892 2.109) 2.352 1.244 ( -0.536 0.892 2.109) 2.352 1.302 ( 2.402 -2.256 3.242) 4.622 1.302 ( 2.402 2.256 3.242) 4.622 1.444 ( 0.664 -3.083 -0.654) 3.221 1.444 ( 0.664 3.083 -0.654) 3.221 1.497 ( -0.088 -1.077 -1.029) 1.492 1.497 ( -0.088 1.077 -1.029) 1.492 1.542 ( -0.142 -1.804 0.498) 1.877 1.542 ( -0.142 1.804 0.498) 1.877 1.700 ( -0.521 -1.419 -1.228) 1.948 1.700 ( -0.521 1.419 -1.228) 1.948 1.821 ( -2.210 -1.863 0.806) 3.001 1.821 ( -2.210 1.863 0.806) 3.001 1.892 ( 0.560 -4.434 0.207) 4.474 1.892 ( 0.560 4.434 0.207) 4.474 2.181 ( -0.725 -5.450 3.013) 6.270 2.181 ( -0.725 5.450 3.013) 6.270 2.313 ( -2.035 -2.575 4.570) 5.626 2.313 ( -2.035 2.575 4.570) 5.626 2.570 ( -4.684 -4.592 0.943) 6.627 2.570 ( -4.684 4.592 0.943) 6.627 2.735 ( -1.961 -0.551 -0.511) 2.100 2.735 ( -1.961 0.551 -0.511) 2.100 2.951 ( -1.641 -5.130 3.768) 6.573 2.951 ( -1.641 5.130 3.768) 6.573 3.089 ( -0.235 -4.265 -5.900) 7.284 3.089 ( -0.235 4.265 -5.900) 7.284 3.280 ( -2.043 -1.525 -5.874) 6.404 3.280 ( -2.043 1.525 -5.874) 6.404 4.205 ( 2.374 -5.129 -4.473) 7.208 4.205 ( 2.374 5.129 -4.473) 7.208 4.326 ( 3.450 -1.662 -1.024) 3.965 4.326 ( 3.450 1.662 -1.024) 3.965 5.021 ( 1.131 -2.112 0.937) 2.572 5.021 ( 1.131 2.112 0.937) 2.572 5.384 ( -0.158 -4.991 -7.015) 8.610 5.384 ( -0.158 4.991 -7.015) 8.610 5.789 ( 2.074 -7.715 3.306) 8.646 5.789 ( 2.074 7.715 3.306) 8.646 6.050 ( -2.541 -3.970 2.599) 5.383 6.050 ( -2.541 3.970 2.599) 5.383 6.160 ( -2.605 -5.406 2.414) 6.469 6.160 ( -2.605 5.406 2.414) 6.469 6.398 ( -6.329 -0.981 0.722) 6.445 6.398 ( -6.329 0.981 0.722) 6.445 6.619 ( -7.326 -1.816 3.065) 8.146 6.619 ( -7.326 1.816 3.065) 8.146 6.909 ( -3.292 -4.363 4.417) 7.027 6.909 ( -3.292 4.363 4.417) 7.027 7.205 ( -5.927 -2.674 -2.124) 6.841 7.205 ( -5.927 2.674 -2.124) 6.841 7.340 ( -0.698 -1.947 -0.678) 2.176 7.340 ( -0.698 1.947 -0.678) 2.176 7.557 ( -1.938 -2.071 -2.837) 4.011 7.557 ( -1.938 2.071 -2.837) 4.011 7.779 ( -0.430 -4.070 -0.367) 4.109 7.779 ( -0.430 4.070 -0.367) 4.109 8.383 ( 3.357 -0.617 0.976) 3.550 8.383 ( 3.357 0.617 0.976) 3.550 8.545 ( 0.178 -2.148 0.875) 2.326 8.545 ( 0.178 2.148 0.875) 2.326 9.473 ( -2.816 -2.941 2.585) 4.823 9.473 ( -2.816 2.941 2.585) 4.823 9.787 ( -1.203 -2.631 -1.999) 3.516 9.787 ( -1.203 2.631 -1.999) 3.516 ======================= Grid point 120 (67/96) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -3.833 -2.211 8.486) 9.571 0.804 ( -3.833 2.211 8.486) 9.571 0.935 ( -1.633 -2.402 2.625) 3.914 0.935 ( -1.633 2.402 2.625) 3.914 1.105 ( 0.481 -2.647 1.998) 3.352 1.105 ( 0.481 2.647 1.998) 3.352 1.233 ( -0.922 -1.489 1.239) 2.145 1.233 ( -0.922 1.489 1.239) 2.145 1.337 ( 1.212 -2.764 1.982) 3.611 1.337 ( 1.212 2.764 1.982) 3.611 1.454 ( -0.242 -5.042 -0.921) 5.131 1.454 ( -0.242 5.042 -0.921) 5.131 1.486 ( -0.741 -2.521 -1.236) 2.904 1.486 ( -0.741 2.521 -1.236) 2.904 1.533 ( -2.280 -1.872 1.085) 3.143 1.533 ( -2.280 1.872 1.085) 3.143 1.669 ( -1.505 -2.326 -0.282) 2.785 1.669 ( -1.505 2.326 -0.282) 2.785 1.772 ( -3.222 -1.699 -1.459) 3.924 1.772 ( -3.222 1.699 -1.459) 3.924 1.907 ( 0.032 -2.298 -0.590) 2.373 1.907 ( 0.032 2.298 -0.590) 2.373 2.115 ( -6.124 -4.642 7.192) 10.525 2.115 ( -6.124 4.642 7.192) 10.525 2.234 ( -5.937 -3.645 4.963) 8.554 2.234 ( -5.937 3.645 4.963) 8.554 2.458 ( -6.096 -4.904 1.155) 7.908 2.458 ( -6.096 4.904 1.155) 7.908 2.674 ( -3.944 -1.036 -1.717) 4.425 2.674 ( -3.944 1.036 -1.717) 4.425 2.881 ( -5.440 -4.447 3.211) 7.725 2.881 ( -5.440 4.447 3.211) 7.725 3.056 ( -2.883 -4.314 -6.026) 7.952 3.056 ( -2.883 4.314 -6.026) 7.952 3.207 ( -4.747 -1.282 -6.148) 7.873 3.207 ( -4.747 1.282 -6.148) 7.873 4.283 ( 5.480 -4.614 -5.569) 9.074 4.283 ( 5.480 4.614 -5.569) 9.074 4.431 ( 6.713 -4.611 -2.149) 8.423 4.431 ( 6.713 4.611 -2.149) 8.423 5.030 ( -0.341 -7.345 2.417) 7.740 5.030 ( -0.341 7.345 2.417) 7.740 5.392 ( 1.187 -2.319 -5.914) 6.462 5.392 ( 1.187 2.319 -5.914) 6.462 5.803 ( -2.415 -4.847 2.307) 5.887 5.803 ( -2.415 4.847 2.307) 5.887 5.967 ( -15.932 -1.677 2.000) 16.145 5.967 ( -15.932 1.677 2.000) 16.145 6.007 ( -5.756 -0.540 -0.114) 5.782 6.007 ( -5.756 0.540 -0.114) 5.782 6.156 ( -26.089 -0.961 -1.520) 26.151 6.156 ( -26.089 0.961 -1.520) 26.151 6.364 ( -10.124 -4.675 6.959) 13.145 6.364 ( -10.124 4.675 6.959) 13.145 6.840 ( -3.834 -5.023 7.488) 9.798 6.840 ( -3.834 5.023 7.488) 9.798 7.065 ( -6.504 -3.071 -3.785) 8.127 7.065 ( -6.504 3.071 -3.785) 8.127 7.278 ( -4.577 -2.534 -3.375) 6.226 7.278 ( -4.577 2.534 -3.375) 6.226 7.537 ( -0.129 -2.814 0.678) 2.897 7.537 ( -0.129 2.814 0.678) 2.897 7.771 ( -0.356 -3.466 -1.301) 3.719 7.771 ( -0.356 3.466 -1.301) 3.719 8.417 ( 0.735 -2.615 -1.665) 3.186 8.417 ( 0.735 2.615 -1.665) 3.186 8.587 ( 3.966 -0.881 2.609) 4.828 8.587 ( 3.966 0.881 2.609) 4.828 9.386 ( -6.275 -3.236 1.781) 7.281 9.386 ( -6.275 3.236 1.781) 7.281 9.724 ( -5.150 -2.226 -1.981) 5.950 9.724 ( -5.150 2.226 -1.981) 5.950 ======================= Grid point 122 (68/96) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -6.323 -2.237 9.620) 11.728 0.711 ( -6.323 2.237 9.620) 11.728 0.888 ( -3.976 -3.348 4.111) 6.627 0.888 ( -3.976 3.348 4.111) 6.627 1.098 ( -1.995 -2.918 2.945) 4.601 1.098 ( -1.995 2.918 2.945) 4.601 1.192 ( -4.819 -1.702 -0.394) 5.126 1.192 ( -4.819 1.702 -0.394) 5.126 1.342 ( -4.059 -1.900 0.438) 4.503 1.342 ( -4.059 1.900 0.438) 4.503 1.359 ( -5.889 -3.090 -1.448) 6.807 1.359 ( -5.889 3.090 -1.448) 6.807 1.454 ( -3.016 -2.354 -1.266) 4.030 1.454 ( -3.016 2.354 -1.266) 4.030 1.510 ( 0.396 -6.036 1.530) 6.239 1.510 ( 0.396 6.036 1.530) 6.239 1.622 ( -5.171 -2.531 -0.704) 5.800 1.622 ( -5.171 2.531 -0.704) 5.800 1.713 ( -1.037 -2.279 -2.357) 3.439 1.713 ( -1.037 2.279 -2.357) 3.439 1.870 ( -3.563 -0.543 3.276) 4.871 1.870 ( -3.563 0.543 3.276) 4.871 1.998 ( -5.633 -3.028 7.731) 10.034 1.998 ( -5.633 3.028 7.731) 10.034 2.143 ( -2.895 -3.948 6.153) 7.863 2.143 ( -2.895 3.948 6.153) 7.863 2.373 ( -2.603 -4.717 1.138) 5.506 2.373 ( -2.603 4.717 1.138) 5.506 2.599 ( -3.657 -1.977 -3.008) 5.131 2.599 ( -3.657 1.977 -3.008) 5.131 2.769 ( -6.097 -4.155 2.817) 7.897 2.769 ( -6.097 4.155 2.817) 7.897 2.974 ( -5.300 -3.269 -5.943) 8.608 2.974 ( -5.300 3.269 -5.943) 8.608 3.118 ( -3.841 -1.654 -6.528) 7.753 3.118 ( -3.841 1.654 -6.528) 7.753 4.359 ( 0.103 -1.886 -5.389) 5.710 4.359 ( 0.103 1.886 -5.389) 5.710 4.513 ( -0.873 -8.219 -4.266) 9.301 4.513 ( -0.873 8.219 -4.266) 9.301 4.991 ( -5.435 -6.314 1.649) 8.492 4.991 ( -5.435 6.314 1.649) 8.492 5.288 ( -23.171 -3.402 -1.801) 23.488 5.288 ( -23.171 3.402 -1.801) 23.488 5.424 ( -34.794 -5.788 0.178) 35.272 5.424 ( -34.794 5.788 0.178) 35.272 5.564 ( -6.093 -0.833 -1.983) 6.462 5.564 ( -6.093 0.833 -1.983) 6.462 5.821 ( -3.468 -3.585 -0.348) 5.000 5.821 ( -3.468 3.585 -0.348) 5.000 5.953 ( -2.197 -3.191 1.550) 4.173 5.953 ( -2.197 3.191 1.550) 4.173 6.301 ( -0.789 -5.874 7.226) 9.345 6.301 ( -0.789 5.874 7.226) 9.345 6.780 ( -2.582 -6.014 7.310) 9.812 6.780 ( -2.582 6.014 7.310) 9.812 6.975 ( -3.061 -3.054 -3.299) 5.438 6.975 ( -3.061 3.054 -3.299) 5.438 7.198 ( -3.581 -2.289 -4.078) 5.890 7.198 ( -3.581 2.289 -4.078) 5.890 7.532 ( -0.618 -3.294 1.508) 3.675 7.532 ( -0.618 3.294 1.508) 3.675 7.771 ( 0.556 -3.840 -2.409) 4.567 7.771 ( 0.556 3.840 -2.409) 4.567 8.431 ( 1.100 -2.087 -2.416) 3.377 8.431 ( 1.100 2.087 -2.416) 3.377 8.676 ( 4.712 -1.528 3.249) 5.925 8.676 ( 4.712 1.528 3.249) 5.925 9.253 ( -7.191 -2.953 0.590) 7.796 9.253 ( -7.191 2.953 0.590) 7.796 9.598 ( -7.880 -1.789 -1.832) 8.286 9.598 ( -7.880 1.789 -1.832) 8.286 ======================= Grid point 124 (69/96) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -12.990 -0.811 9.616) 16.182 0.553 ( -12.990 0.811 9.616) 16.182 0.763 ( -9.595 -4.873 4.833) 11.797 0.763 ( -9.595 4.873 4.833) 11.797 0.942 ( -11.418 -3.634 0.453) 11.991 0.942 ( -11.418 3.634 0.453) 11.991 1.095 ( -2.771 -3.055 3.708) 5.546 1.095 ( -2.771 3.055 3.708) 5.546 1.244 ( -3.286 -3.348 0.022) 4.692 1.244 ( -3.286 3.348 0.022) 4.692 1.296 ( -3.123 -1.774 -2.636) 4.455 1.296 ( -3.123 1.774 -2.636) 4.455 1.410 ( -1.004 -3.918 0.200) 4.050 1.410 ( -1.004 3.918 0.200) 4.050 1.482 ( -3.084 -3.180 -0.104) 4.431 1.482 ( -3.084 3.180 -0.104) 4.431 1.565 ( 0.042 -5.435 0.354) 5.447 1.565 ( 0.042 5.435 0.354) 5.447 1.712 ( 0.258 -0.673 -0.996) 1.230 1.712 ( 0.258 0.673 -0.996) 1.230 1.817 ( -2.180 -0.309 6.289) 6.663 1.817 ( -2.180 0.309 6.289) 6.663 1.912 ( -4.056 -4.804 7.998) 10.173 1.912 ( -4.056 4.804 7.998) 10.173 2.124 ( -0.039 -2.419 4.125) 4.782 2.124 ( -0.039 2.419 4.125) 4.782 2.362 ( 1.241 -3.506 0.925) 3.832 2.362 ( 1.241 3.506 0.925) 3.832 2.533 ( -3.025 -2.692 -3.467) 5.330 2.533 ( -3.025 2.692 -3.467) 5.330 2.667 ( -4.643 -3.997 2.875) 6.768 2.667 ( -4.643 3.997 2.875) 6.768 2.864 ( -5.460 -2.243 -5.951) 8.382 2.864 ( -5.460 2.243 -5.951) 8.382 3.060 ( -2.072 -2.640 -6.627) 7.429 3.060 ( -2.072 2.640 -6.627) 7.429 4.054 ( -29.748 -4.060 0.942) 30.038 4.054 ( -29.748 4.060 0.942) 30.038 4.297 ( -19.223 -2.824 -6.910) 20.621 4.297 ( -19.223 2.824 -6.910) 20.621 4.802 ( -6.535 -4.481 -3.571) 8.691 4.802 ( -6.535 4.481 -3.571) 8.691 4.934 ( -5.192 -7.572 -6.283) 11.125 4.934 ( -5.192 7.572 -6.283) 11.125 5.119 ( -3.803 -12.756 6.956) 15.019 5.119 ( -3.803 12.756 6.956) 15.019 5.592 ( 1.792 -1.937 -3.475) 4.363 5.592 ( 1.792 1.937 -3.475) 4.363 5.768 ( -1.278 -0.530 0.803) 1.600 5.768 ( -1.278 0.530 0.803) 1.600 5.922 ( -0.731 -4.189 -1.039) 4.377 5.922 ( -0.731 4.189 -1.039) 4.377 6.298 ( -0.214 -3.406 7.142) 7.915 6.298 ( -0.214 3.406 7.142) 7.915 6.758 ( -0.229 -4.623 7.303) 8.646 6.758 ( -0.229 4.623 7.303) 8.646 6.939 ( -0.625 -1.939 -0.894) 2.225 6.939 ( -0.625 1.939 -0.894) 2.225 7.137 ( -2.616 -2.690 -6.098) 7.160 7.137 ( -2.616 2.690 -6.098) 7.160 7.525 ( 0.315 -3.544 0.364) 3.576 7.525 ( 0.315 3.544 0.364) 3.576 7.784 ( 0.602 -4.136 -3.088) 5.197 7.784 ( 0.602 4.136 -3.088) 5.197 8.444 ( -0.750 -1.101 -0.050) 1.333 8.444 ( -0.750 1.101 -0.050) 1.333 8.748 ( 2.381 -1.865 1.672) 3.456 8.748 ( 2.381 1.865 1.672) 3.456 9.154 ( -1.962 -1.544 0.123) 2.499 9.154 ( -1.962 1.544 0.123) 2.499 9.436 ( -8.738 -1.508 -1.298) 8.962 9.436 ( -8.738 1.508 -1.298) 8.962 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 2.902 0.000 1.525) 3.278 0.413 ( -2.079 0.000 -2.527) 3.272 0.845 ( 0.925 0.000 6.448) 6.514 0.865 ( -0.962 0.000 5.776) 5.856 0.951 ( 3.827 0.000 0.320) 3.841 0.954 ( -5.262 0.000 1.151) 5.386 1.001 ( -0.615 0.000 1.275) 1.416 1.044 ( 1.664 0.000 -3.394) 3.779 1.133 ( 2.370 0.000 2.230) 3.254 1.138 ( -4.139 0.000 -3.241) 5.257 1.203 ( 0.018 0.000 -4.788) 4.788 1.240 ( 0.427 0.000 -4.660) 4.680 1.314 ( 1.744 0.000 0.319) 1.773 1.325 ( -0.866 0.000 -1.121) 1.417 1.361 ( 0.171 0.000 3.678) 3.682 1.431 ( -0.591 0.000 -3.757) 3.803 1.588 ( -1.029 0.000 1.945) 2.201 1.620 ( 1.759 0.000 -1.285) 2.178 1.667 ( -2.758 0.000 6.639) 7.189 1.756 ( 2.283 0.000 -2.833) 3.638 1.838 ( -3.468 0.000 10.208) 10.781 1.927 ( 1.017 0.000 1.545) 1.850 1.975 ( -2.880 0.000 6.862) 7.442 2.085 ( 0.958 0.000 -3.019) 3.168 2.186 ( 1.804 0.000 6.198) 6.455 2.260 ( -2.030 0.000 4.717) 5.135 2.307 ( -0.301 0.000 -5.144) 5.153 2.374 ( 4.322 0.000 -3.626) 5.642 2.461 ( 1.295 0.000 0.521) 1.396 2.561 ( -0.398 0.000 -0.489) 0.631 2.604 ( -2.687 0.000 -6.206) 6.763 2.625 ( 0.285 0.000 -0.514) 0.588 2.699 ( 0.494 0.000 6.073) 6.094 2.843 ( -0.607 0.000 1.640) 1.749 2.853 ( 0.360 0.000 -3.945) 3.961 2.891 ( -0.947 0.000 -8.062) 8.118 3.643 ( -3.079 0.000 2.284) 3.834 3.711 ( 2.241 0.000 -4.603) 5.120 3.993 ( -2.544 0.000 2.396) 3.495 4.034 ( 1.293 0.000 -1.430) 1.928 4.620 ( 1.903 0.000 14.599) 14.722 4.717 ( -4.217 0.000 5.382) 6.837 4.818 ( 1.129 0.000 -5.699) 5.810 4.918 ( 3.254 0.000 -13.474) 13.862 5.132 ( -3.324 0.000 -0.194) 3.330 5.184 ( 1.272 0.000 -4.001) 4.198 5.485 ( -2.156 0.000 -4.065) 4.602 5.502 ( 4.873 0.000 -4.756) 6.809 5.717 ( -9.119 0.000 4.012) 9.963 5.777 ( 8.444 0.000 -2.011) 8.680 5.898 ( 0.341 0.000 1.445) 1.485 5.920 ( -2.000 0.000 -1.109) 2.287 6.499 ( 1.409 0.000 11.326) 11.414 6.629 ( -3.619 0.000 0.761) 3.698 6.716 ( -4.643 0.000 3.221) 5.651 6.718 ( 8.018 0.000 2.125) 8.295 6.901 ( -0.974 0.000 -2.954) 3.111 6.904 ( -0.096 0.000 -1.874) 1.877 7.074 ( -2.341 0.000 -1.310) 2.682 7.116 ( 4.263 0.000 -5.133) 6.672 7.517 ( -1.035 0.000 2.831) 3.014 7.570 ( 2.357 0.000 -2.805) 3.664 7.703 ( -0.005 0.000 2.328) 2.328 7.762 ( -0.647 0.000 -3.628) 3.686 8.499 ( -7.702 0.000 3.286) 8.374 8.554 ( 6.167 0.000 -2.459) 6.639 8.614 ( -15.471 0.000 6.488) 16.777 8.727 ( 11.479 0.000 -5.447) 12.706 9.184 ( 3.908 0.000 1.670) 4.250 9.216 ( -4.451 0.000 -1.686) 4.760 9.275 ( 7.454 0.000 0.560) 7.475 9.286 ( -6.731 0.000 -0.611) 6.759 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 19.047 0.000 -0.889) 19.068 0.734 ( 21.904 0.000 1.870) 21.984 0.884 ( 2.802 0.000 4.701) 5.472 0.887 ( 3.739 0.000 6.315) 7.339 0.928 ( 2.313 0.000 3.774) 4.426 0.999 ( 3.422 0.000 -0.073) 3.423 1.073 ( 3.288 0.000 -1.056) 3.454 1.102 ( 4.972 0.000 -2.041) 5.374 1.120 ( 5.844 0.000 -2.572) 6.385 1.193 ( 1.632 0.000 -1.459) 2.189 1.222 ( 3.832 0.000 -1.770) 4.221 1.271 ( 2.969 0.000 -4.055) 5.026 1.333 ( 1.662 0.000 -0.768) 1.831 1.373 ( 4.335 0.000 1.474) 4.579 1.386 ( 3.177 0.000 3.195) 4.506 1.426 ( 0.757 0.000 -3.410) 3.493 1.569 ( -1.117 0.000 0.829) 1.391 1.645 ( 0.602 0.000 5.071) 5.107 1.650 ( 1.698 0.000 -1.344) 2.166 1.783 ( 0.697 0.000 -2.189) 2.297 1.784 ( -2.498 0.000 10.185) 10.487 1.936 ( -0.186 0.000 1.799) 1.809 1.937 ( -1.181 0.000 6.667) 6.771 2.096 ( 0.522 0.000 1.421) 1.514 2.245 ( 1.436 0.000 7.550) 7.686 2.254 ( 2.350 0.000 2.407) 3.364 2.315 ( 1.040 0.000 -4.100) 4.230 2.449 ( 3.173 0.000 -8.638) 9.203 2.547 ( 6.784 0.000 4.847) 8.338 2.596 ( 3.273 0.000 1.731) 3.702 2.614 ( 4.503 0.000 -11.446) 12.299 2.665 ( 3.658 0.000 0.110) 3.659 2.705 ( -0.250 0.000 7.556) 7.561 2.877 ( 2.616 0.000 -3.690) 4.523 2.878 ( 3.826 0.000 1.914) 4.278 2.904 ( 2.064 0.000 -7.200) 7.491 3.928 ( 27.125 0.000 0.937) 27.141 4.034 ( 19.614 0.000 -1.865) 19.703 4.229 ( 29.893 0.000 4.038) 30.165 4.318 ( 24.180 0.000 -0.427) 24.184 4.622 ( -0.993 0.000 9.258) 9.311 4.806 ( 13.891 0.000 4.482) 14.596 4.866 ( 6.351 0.000 -0.511) 6.372 4.951 ( -2.410 0.000 -14.306) 14.508 5.092 ( 5.518 0.000 -1.191) 5.645 5.155 ( -1.878 0.000 -1.334) 2.303 5.474 ( 1.051 0.000 -7.190) 7.267 5.550 ( -7.477 0.000 5.998) 9.585 5.605 ( 4.841 0.000 -7.161) 8.644 5.884 ( 2.146 0.000 -0.083) 2.148 5.921 ( 2.004 0.000 2.069) 2.881 5.969 ( 7.713 0.000 -0.849) 7.760 6.535 ( 1.015 0.000 10.913) 10.960 6.561 ( -3.118 0.000 1.297) 3.377 6.668 ( 0.565 0.000 2.228) 2.298 6.869 ( 4.047 0.000 5.308) 6.675 6.905 ( 4.267 0.000 -6.813) 8.039 6.916 ( 0.997 0.000 -0.877) 1.327 7.038 ( -1.254 0.000 -3.416) 3.639 7.198 ( 4.493 0.000 -5.157) 6.840 7.517 ( 0.818 0.000 1.347) 1.576 7.612 ( 0.972 0.000 -2.357) 2.549 7.695 ( -0.887 0.000 3.062) 3.188 7.749 ( 0.352 0.000 -4.187) 4.202 8.313 ( -11.257 0.000 8.184) 13.917 8.400 ( -5.980 0.000 6.415) 8.770 8.632 ( 1.072 0.000 -0.277) 1.107 8.874 ( 1.744 0.000 -1.748) 2.470 9.165 ( 0.973 0.000 -2.107) 2.321 9.266 ( 5.906 0.000 -2.532) 6.426 9.271 ( 4.955 0.000 2.689) 5.637 9.431 ( 8.131 0.000 0.302) 8.136 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 3.571 0.000 2.619) 4.428 0.881 ( 0.131 0.000 6.973) 6.974 0.985 ( 3.932 0.000 4.691) 6.121 0.989 ( 3.589 0.000 5.862) 6.874 1.081 ( 9.021 0.000 -2.490) 9.358 1.084 ( 1.972 0.000 -2.922) 3.525 1.165 ( 6.677 0.000 -2.053) 6.985 1.177 ( 2.090 0.000 -0.227) 2.103 1.246 ( 4.918 0.000 -1.020) 5.023 1.277 ( 3.307 0.000 -3.667) 4.938 1.295 ( 3.040 0.000 -2.611) 4.007 1.340 ( 4.169 0.000 -2.426) 4.823 1.371 ( 6.983 0.000 -0.375) 6.993 1.448 ( 2.356 0.000 2.906) 3.740 1.487 ( 4.339 0.000 -1.798) 4.697 1.515 ( 5.363 0.000 3.064) 6.177 1.583 ( 7.021 0.000 -0.085) 7.022 1.676 ( 0.672 0.000 1.073) 1.266 1.687 ( 2.735 0.000 -0.297) 2.752 1.764 ( 0.476 0.000 8.423) 8.437 1.780 ( -1.431 0.000 -0.659) 1.575 1.950 ( 2.521 0.000 5.498) 6.049 1.958 ( 3.677 0.000 -0.489) 3.710 2.118 ( 1.567 0.000 3.350) 3.699 2.269 ( 2.140 0.000 3.876) 4.427 2.306 ( 2.536 0.000 8.641) 9.005 2.344 ( 2.424 0.000 -2.411) 3.419 2.502 ( 3.471 0.000 -8.905) 9.558 2.669 ( 5.253 0.000 4.547) 6.947 2.683 ( 5.482 0.000 -1.007) 5.573 2.718 ( 1.540 0.000 6.872) 7.042 2.726 ( 7.225 0.000 -11.873) 13.899 2.755 ( 5.478 0.000 3.807) 6.670 2.949 ( 4.445 0.000 -0.084) 4.446 2.959 ( 4.832 0.000 -9.319) 10.498 2.976 ( 6.377 0.000 1.608) 6.577 4.176 ( -1.136 0.000 4.226) 4.376 4.283 ( 5.709 0.000 -1.436) 5.887 4.543 ( -0.831 0.000 7.005) 7.054 4.632 ( 1.007 0.000 3.302) 3.452 4.838 ( -0.363 0.000 -10.462) 10.468 4.917 ( 3.076 0.000 -4.128) 5.148 5.170 ( 43.213 0.000 4.750) 43.473 5.215 ( 24.221 0.000 -1.743) 24.284 5.306 ( 6.559 0.000 -0.622) 6.589 5.458 ( 22.316 0.000 -1.113) 22.344 5.506 ( 13.791 0.000 7.318) 15.613 5.542 ( 16.282 0.000 -9.925) 19.068 5.698 ( 6.341 0.000 -5.115) 8.147 5.956 ( 7.177 0.000 -0.040) 7.177 5.980 ( 4.336 0.000 2.290) 4.904 6.106 ( 5.796 0.000 -2.288) 6.231 6.522 ( -0.639 0.000 3.952) 4.003 6.549 ( 0.695 0.000 6.848) 6.883 6.742 ( 6.428 0.000 5.169) 8.249 6.901 ( 2.053 0.000 -1.818) 2.742 6.935 ( 1.064 0.000 -0.630) 1.236 7.002 ( 2.059 0.000 1.219) 2.393 7.045 ( 3.926 0.000 -3.797) 5.462 7.277 ( 4.116 0.000 -4.626) 6.192 7.538 ( 0.890 0.000 -0.508) 1.024 7.583 ( -2.891 0.000 0.874) 3.020 7.682 ( -0.331 0.000 4.093) 4.107 7.785 ( 2.673 0.000 -7.102) 7.589 8.177 ( -3.177 0.000 7.420) 8.071 8.352 ( 0.453 0.000 6.541) 6.556 8.588 ( -4.867 0.000 1.410) 5.067 8.822 ( -4.733 0.000 -0.793) 4.799 9.266 ( 8.339 0.000 -3.048) 8.878 9.367 ( 4.862 0.000 3.655) 6.083 9.449 ( 11.330 0.000 -3.119) 11.751 9.569 ( 6.267 0.000 1.230) 6.386 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 1.287 0.000 6.652) 6.775 0.935 ( 2.988 0.000 0.283) 3.002 1.042 ( 1.697 0.000 3.555) 3.939 1.052 ( 2.776 0.000 5.382) 6.055 1.121 ( 2.234 0.000 -1.777) 2.854 1.162 ( 2.439 0.000 -2.195) 3.281 1.194 ( -0.076 0.000 0.340) 0.348 1.225 ( -0.250 0.000 -0.426) 0.494 1.290 ( 1.019 0.000 -5.120) 5.221 1.316 ( 0.277 0.000 -1.139) 1.172 1.336 ( -1.022 0.000 -1.551) 1.857 1.339 ( 2.474 0.000 -0.513) 2.527 1.454 ( -1.144 0.000 1.641) 2.000 1.498 ( -0.454 0.000 -1.457) 1.526 1.550 ( 0.643 0.000 4.493) 4.539 1.582 ( 6.530 0.000 -1.633) 6.731 1.696 ( 1.864 0.000 2.528) 3.141 1.703 ( 1.679 0.000 3.260) 3.667 1.731 ( -2.654 0.000 -0.190) 2.661 1.751 ( 1.924 0.000 -3.202) 3.736 1.850 ( 8.755 0.000 1.825) 8.943 2.015 ( 0.613 0.000 2.231) 2.313 2.037 ( 5.816 0.000 0.129) 5.818 2.136 ( -0.484 0.000 2.487) 2.534 2.353 ( 5.835 0.000 4.269) 7.230 2.393 ( 6.257 0.000 8.650) 10.676 2.405 ( 3.781 0.000 -0.570) 3.824 2.580 ( 4.930 0.000 -8.058) 9.447 2.748 ( 2.892 0.000 1.398) 3.212 2.768 ( 3.299 0.000 10.151) 10.674 2.780 ( 4.427 0.000 -3.254) 5.494 2.860 ( 7.153 0.000 -10.883) 13.023 2.861 ( 4.963 0.000 5.750) 7.596 3.032 ( 4.513 0.000 -5.517) 7.127 3.073 ( 6.554 0.000 -2.938) 7.183 3.105 ( 6.357 0.000 1.014) 6.437 4.103 ( -4.815 0.000 5.027) 6.960 4.272 ( -3.511 0.000 -1.889) 3.987 4.478 ( -5.615 0.000 0.878) 5.683 4.479 ( -10.789 0.000 2.447) 11.063 4.912 ( 5.160 0.000 -10.051) 11.298 4.932 ( 2.402 0.000 4.846) 5.409 5.226 ( -6.278 0.000 1.612) 6.482 5.402 ( 0.799 0.000 -10.827) 10.857 5.673 ( 5.315 0.000 1.798) 5.611 5.692 ( 2.719 0.000 -3.368) 4.329 5.946 ( 19.856 0.000 1.724) 19.931 5.995 ( 23.828 0.000 3.192) 24.041 6.093 ( 22.448 0.000 1.836) 22.523 6.140 ( 15.225 0.000 1.231) 15.275 6.168 ( 1.382 0.000 -2.138) 2.546 6.224 ( 18.063 0.000 -3.112) 18.329 6.579 ( 7.357 0.000 5.485) 9.177 6.583 ( 2.806 0.000 6.619) 7.189 6.898 ( 7.302 0.000 8.327) 11.075 6.955 ( 3.390 0.000 -5.384) 6.362 6.971 ( 5.366 0.000 -4.402) 6.940 7.042 ( 4.115 0.000 -1.529) 4.390 7.153 ( 7.195 0.000 3.667) 8.076 7.353 ( 4.235 0.000 -2.976) 5.176 7.534 ( -1.291 0.000 -2.641) 2.940 7.537 ( -1.817 0.000 0.534) 1.894 7.691 ( 0.650 0.000 5.103) 5.144 7.812 ( 0.440 0.000 -7.031) 7.045 8.186 ( 3.140 0.000 4.376) 5.386 8.409 ( 4.565 0.000 5.833) 7.407 8.487 ( -5.175 0.000 1.034) 5.277 8.733 ( -4.491 0.000 -0.946) 4.590 9.428 ( 8.036 0.000 -3.586) 8.799 9.452 ( 3.637 0.000 4.205) 5.560 9.642 ( 8.601 0.000 -3.295) 9.211 9.667 ( 3.873 0.000 2.678) 4.709 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 1.470 0.000 5.697) 5.883 0.988 ( 2.770 0.000 -2.086) 3.467 1.067 ( 1.123 0.000 0.955) 1.474 1.088 ( 0.513 0.000 3.949) 3.982 1.143 ( -0.285 0.000 0.104) 0.304 1.168 ( -1.260 0.000 0.798) 1.492 1.215 ( -0.005 0.000 0.649) 0.649 1.220 ( 2.514 0.000 -1.173) 2.774 1.294 ( -0.344 0.000 -2.085) 2.114 1.302 ( -1.402 0.000 -0.145) 1.409 1.325 ( 0.272 0.000 -2.163) 2.180 1.338 ( -2.306 0.000 -0.570) 2.376 1.442 ( 0.450 0.000 0.376) 0.586 1.474 ( -1.078 0.000 -2.479) 2.703 1.560 ( 0.505 0.000 5.112) 5.137 1.632 ( -0.342 0.000 0.147) 0.372 1.707 ( 1.045 0.000 -1.243) 1.624 1.720 ( -0.377 0.000 1.038) 1.104 1.743 ( 1.430 0.000 0.956) 1.720 1.757 ( 0.189 0.000 -0.402) 0.444 1.979 ( 4.329 0.000 -0.803) 4.403 1.998 ( -1.822 0.000 4.293) 4.664 2.104 ( -2.600 0.000 3.314) 4.212 2.146 ( 5.364 0.000 -5.559) 7.725 2.444 ( 2.680 0.000 3.520) 4.424 2.462 ( 1.572 0.000 1.518) 2.185 2.501 ( 3.333 0.000 7.471) 8.180 2.650 ( 2.042 0.000 -6.985) 7.277 2.787 ( 1.006 0.000 1.418) 1.738 2.825 ( 1.289 0.000 8.761) 8.856 2.840 ( 1.946 0.000 -4.258) 4.681 2.933 ( 1.985 0.000 7.102) 7.374 2.967 ( 4.259 0.000 -9.645) 10.543 3.098 ( 2.378 0.000 -7.704) 8.063 3.177 ( 3.796 0.000 -0.992) 3.924 3.191 ( 2.169 0.000 0.639) 2.261 4.047 ( -0.620 0.000 5.261) 5.298 4.204 ( -3.103 0.000 -4.261) 5.271 4.319 ( -4.855 0.000 2.945) 5.679 4.380 ( -3.461 0.000 -1.590) 3.809 4.992 ( 1.634 0.000 3.685) 4.031 4.999 ( 4.507 0.000 -7.698) 8.920 5.124 ( -3.213 0.000 5.935) 6.749 5.373 ( -2.538 0.000 -12.543) 12.797 5.701 ( -0.521 0.000 1.775) 1.850 5.724 ( 1.325 0.000 -3.224) 3.485 6.066 ( 3.073 0.000 1.569) 3.450 6.146 ( -1.922 0.000 -1.339) 2.342 6.307 ( 3.015 0.000 5.115) 5.938 6.343 ( 6.544 0.000 -0.012) 6.544 6.389 ( 8.587 0.000 3.637) 9.326 6.464 ( 5.587 0.000 -0.870) 5.655 6.662 ( 3.910 0.000 6.446) 7.539 6.723 ( 4.244 0.000 1.700) 4.572 6.943 ( -0.113 0.000 4.868) 4.869 7.001 ( 1.590 0.000 -4.833) 5.087 7.157 ( 8.145 0.000 -2.735) 8.592 7.166 ( 6.533 0.000 -2.089) 6.859 7.305 ( 7.173 0.000 4.509) 8.473 7.430 ( 3.510 0.000 0.512) 3.547 7.491 ( -2.775 0.000 -5.070) 5.779 7.503 ( -2.306 0.000 -0.682) 2.404 7.696 ( -0.530 0.000 5.744) 5.769 7.806 ( -0.362 0.000 -5.804) 5.815 8.278 ( 5.805 0.000 2.021) 6.146 8.401 ( -4.000 0.000 -0.713) 4.063 8.505 ( 4.848 0.000 4.912) 6.901 8.652 ( -4.000 0.000 -1.431) 4.248 9.497 ( 0.602 0.000 4.178) 4.221 9.545 ( 4.184 0.000 -3.939) 5.746 9.714 ( 0.725 0.000 3.651) 3.722 9.758 ( 3.718 0.000 -3.499) 5.106 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.074 0.000 2.744) 2.745 1.025 ( -0.245 0.000 -2.394) 2.406 1.078 ( 0.675 0.000 -0.444) 0.808 1.087 ( 0.427 0.000 2.964) 2.995 1.144 ( -1.198 0.000 0.613) 1.346 1.153 ( 0.579 0.000 2.067) 2.147 1.179 ( -2.851 0.000 0.803) 2.962 1.249 ( -2.206 0.000 -0.988) 2.417 1.268 ( 0.545 0.000 1.275) 1.386 1.290 ( -2.094 0.000 -0.542) 2.163 1.308 ( 0.689 0.000 -0.598) 0.912 1.342 ( 1.759 0.000 -1.048) 2.048 1.462 ( -0.033 0.000 -2.569) 2.570 1.466 ( 1.867 0.000 -1.195) 2.217 1.589 ( 2.282 0.000 4.611) 5.145 1.619 ( -0.538 0.000 -0.300) 0.617 1.689 ( -2.523 0.000 -0.006) 2.523 1.720 ( -1.526 0.000 2.395) 2.840 1.755 ( 1.052 0.000 -1.436) 1.781 1.765 ( 0.249 0.000 -1.108) 1.135 1.964 ( -2.001 0.000 1.688) 2.617 2.023 ( 0.325 0.000 0.765) 0.831 2.055 ( -2.526 0.000 2.991) 3.915 2.218 ( 2.312 0.000 -6.848) 7.227 2.442 ( -3.012 0.000 3.870) 4.904 2.453 ( -2.558 0.000 2.335) 3.464 2.510 ( -2.634 0.000 7.144) 7.614 2.635 ( -3.337 0.000 -6.013) 6.877 2.771 ( -3.301 0.000 3.520) 4.826 2.815 ( -2.286 0.000 4.778) 5.297 2.843 ( -1.327 0.000 -4.262) 4.464 2.939 ( -1.725 0.000 7.297) 7.498 3.000 ( -0.211 0.000 -9.143) 9.146 3.100 ( -1.874 0.000 -9.368) 9.553 3.176 ( -3.698 0.000 0.242) 3.706 3.196 ( -1.800 0.000 -0.409) 1.846 4.092 ( 4.431 0.000 5.887) 7.369 4.174 ( 1.214 0.000 -6.925) 7.030 4.316 ( 3.694 0.000 4.571) 5.877 4.381 ( 4.400 0.000 -2.351) 4.988 4.934 ( -6.071 0.000 0.075) 6.071 5.070 ( 3.020 0.000 -6.600) 7.258 5.155 ( 3.891 0.000 9.414) 10.186 5.308 ( -3.161 0.000 -12.005) 12.415 5.687 ( -0.736 0.000 0.786) 1.077 5.742 ( 0.514 0.000 -2.299) 2.355 6.101 ( -2.814 0.000 -1.165) 3.046 6.103 ( 0.707 0.000 2.512) 2.609 6.300 ( -3.953 0.000 4.383) 5.902 6.354 ( -4.878 0.000 0.200) 4.882 6.433 ( -4.256 0.000 2.744) 5.064 6.434 ( -9.166 0.000 -1.040) 9.225 6.680 ( -2.914 0.000 5.522) 6.244 6.713 ( -5.144 0.000 1.318) 5.311 6.914 ( -3.115 0.000 5.125) 5.998 7.011 ( -0.222 0.000 -3.461) 3.469 7.157 ( -7.270 0.000 -2.445) 7.670 7.167 ( -6.805 0.000 -1.953) 7.079 7.369 ( -3.056 0.000 4.566) 5.494 7.405 ( -5.794 0.000 -5.308) 7.858 7.471 ( 1.603 0.000 -1.904) 2.489 7.493 ( 2.246 0.000 0.760) 2.371 7.690 ( -0.090 0.000 5.955) 5.955 7.798 ( -0.378 0.000 -4.551) 4.566 8.328 ( -3.521 0.000 -2.948) 4.592 8.392 ( 6.046 0.000 0.138) 6.048 8.577 ( -3.859 0.000 -2.473) 4.584 8.594 ( 4.338 0.000 4.654) 6.362 9.470 ( -3.694 0.000 3.707) 5.234 9.577 ( -0.462 0.000 -4.084) 4.110 9.692 ( -3.350 0.000 3.529) 4.866 9.779 ( -1.207 0.000 -3.301) 3.515 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -1.056 0.000 0.539) 1.186 0.987 ( -2.350 0.000 0.261) 2.365 1.066 ( -3.322 0.000 4.768) 5.811 1.093 ( -3.051 0.000 0.188) 3.057 1.111 ( -2.266 0.000 -0.428) 2.306 1.119 ( -0.005 0.000 -1.683) 1.683 1.186 ( 1.472 0.000 -0.606) 1.592 1.201 ( -2.120 0.000 1.716) 2.728 1.252 ( -1.206 0.000 -2.002) 2.337 1.296 ( 1.346 0.000 2.440) 2.786 1.307 ( -0.730 0.000 -0.076) 0.734 1.346 ( -2.469 0.000 -1.701) 2.999 1.475 ( 1.411 0.000 -1.599) 2.132 1.498 ( 0.654 0.000 -1.314) 1.468 1.572 ( -6.266 0.000 -0.709) 6.306 1.611 ( -0.599 0.000 -0.818) 1.014 1.655 ( -4.999 0.000 5.279) 7.271 1.683 ( 2.727 0.000 3.367) 4.333 1.758 ( -0.914 0.000 -2.209) 2.391 1.758 ( -1.774 0.000 -2.399) 2.984 1.920 ( -2.482 0.000 -3.453) 4.252 1.988 ( -4.252 0.000 3.636) 5.594 2.024 ( -0.552 0.000 1.584) 1.677 2.210 ( -3.384 0.000 -2.060) 3.962 2.350 ( -6.146 0.000 5.691) 8.376 2.383 ( -4.253 0.000 0.911) 4.349 2.427 ( -5.618 0.000 6.980) 8.960 2.540 ( -4.997 0.000 -6.141) 7.917 2.670 ( -6.938 0.000 5.117) 8.621 2.762 ( -3.289 0.000 0.584) 3.341 2.791 ( -3.716 0.000 -3.262) 4.945 2.880 ( -4.631 0.000 7.363) 8.698 2.954 ( -4.023 0.000 -8.442) 9.351 3.026 ( -4.750 0.000 -10.926) 11.914 3.072 ( -6.562 0.000 -0.111) 6.563 3.122 ( -5.323 0.000 -1.032) 5.422 4.186 ( 4.579 0.000 6.220) 7.724 4.241 ( 5.374 0.000 -8.093) 9.715 4.435 ( 7.862 0.000 4.921) 9.275 4.542 ( 11.706 0.000 -3.018) 12.089 4.802 ( -7.735 0.000 1.786) 7.939 5.069 ( -3.560 0.000 -9.535) 10.178 5.227 ( 2.482 0.000 6.498) 6.956 5.281 ( 1.582 0.000 -5.856) 6.066 5.673 ( -1.027 0.000 -0.937) 1.390 5.708 ( -6.272 0.000 -1.622) 6.479 5.993 ( -17.530 0.000 -2.435) 17.699 6.058 ( -24.648 0.000 -3.141) 24.847 6.066 ( -11.209 0.000 4.118) 11.941 6.126 ( -17.903 0.000 3.518) 18.245 6.152 ( -11.318 0.000 0.357) 11.323 6.188 ( -18.054 0.000 -0.483) 18.060 6.580 ( -6.590 0.000 5.864) 8.821 6.582 ( -5.479 0.000 5.452) 7.729 6.854 ( -3.041 0.000 6.192) 6.899 6.985 ( -6.921 0.000 -5.631) 8.922 6.996 ( -3.946 0.000 0.396) 3.966 7.011 ( -4.975 0.000 -1.994) 5.359 7.262 ( -7.911 0.000 -5.999) 9.928 7.268 ( -5.397 0.000 3.656) 6.519 7.522 ( 2.317 0.000 -1.150) 2.587 7.534 ( 2.038 0.000 1.475) 2.516 7.689 ( -0.508 0.000 5.339) 5.363 7.780 ( -1.150 0.000 -3.813) 3.983 8.282 ( -0.646 0.000 -5.202) 5.242 8.507 ( 6.038 0.000 -0.982) 6.117 8.507 ( -3.127 0.000 -4.163) 5.207 8.680 ( 4.631 0.000 4.637) 6.554 9.365 ( -7.298 0.000 2.907) 7.856 9.530 ( -4.039 0.000 -3.839) 5.572 9.588 ( -7.756 0.000 2.359) 8.107 9.716 ( -5.012 0.000 -2.557) 5.627 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -2.968 0.000 -0.810) 3.076 0.946 ( -2.374 0.000 4.087) 4.726 0.968 ( -7.052 0.000 5.607) 9.009 1.023 ( -4.271 0.000 -0.738) 4.334 1.063 ( -6.939 0.000 -0.900) 6.997 1.073 ( -2.030 0.000 0.799) 2.181 1.154 ( -2.604 0.000 -0.915) 2.761 1.203 ( -4.646 0.000 -2.569) 5.309 1.231 ( -4.331 0.000 -2.936) 5.233 1.232 ( -2.557 0.000 -0.191) 2.564 1.288 ( -1.712 0.000 -0.600) 1.814 1.318 ( -0.070 0.000 1.645) 1.646 1.359 ( -11.453 0.000 -1.018) 11.498 1.469 ( -3.885 0.000 -0.724) 3.952 1.483 ( -5.187 0.000 -1.425) 5.379 1.555 ( -2.945 0.000 2.187) 3.668 1.586 ( -3.668 0.000 -3.071) 4.784 1.692 ( -3.686 0.000 -0.034) 3.686 1.696 ( -1.959 0.000 -0.858) 2.139 1.737 ( -0.916 0.000 3.382) 3.504 1.888 ( -0.213 0.000 -3.788) 3.794 1.903 ( -2.474 0.000 5.241) 5.796 2.035 ( 1.282 0.000 -2.290) 2.625 2.114 ( -5.417 0.000 4.949) 7.338 2.249 ( -4.386 0.000 8.000) 9.124 2.315 ( -2.628 0.000 0.400) 2.658 2.343 ( -3.102 0.000 6.281) 7.005 2.470 ( -2.714 0.000 -8.060) 8.505 2.542 ( -6.014 0.000 3.905) 7.171 2.698 ( -3.249 0.000 -1.681) 3.658 2.707 ( -4.944 0.000 -1.563) 5.185 2.786 ( -5.154 0.000 8.201) 9.686 2.842 ( -7.057 0.000 -6.865) 9.845 2.933 ( -4.169 0.000 -10.278) 11.091 2.955 ( -5.282 0.000 -0.055) 5.282 3.021 ( -4.660 0.000 -3.815) 6.022 4.243 ( -0.812 0.000 3.482) 3.576 4.305 ( -1.247 0.000 -7.885) 7.983 4.578 ( 4.541 0.000 4.349) 6.287 4.600 ( -12.644 0.000 5.083) 13.628 4.787 ( 9.442 0.000 -4.762) 10.575 4.938 ( -9.447 0.000 -7.440) 12.025 5.151 ( -18.310 0.000 5.107) 19.009 5.223 ( -36.563 0.000 -2.186) 36.628 5.337 ( -8.327 0.000 -4.340) 9.390 5.402 ( -30.106 0.000 4.277) 30.408 5.482 ( -18.344 0.000 -3.110) 18.606 5.626 ( -9.355 0.000 -5.243) 10.724 5.682 ( -10.306 0.000 -3.137) 10.773 5.923 ( -4.478 0.000 3.826) 5.890 6.041 ( -3.304 0.000 -3.470) 4.791 6.044 ( -5.875 0.000 4.124) 7.178 6.511 ( -2.606 0.000 4.995) 5.634 6.519 ( -0.349 0.000 8.063) 8.070 6.812 ( -1.651 0.000 6.216) 6.431 6.840 ( -6.384 0.000 -2.522) 6.864 6.960 ( -1.788 0.000 -1.874) 2.591 6.976 ( 0.133 0.000 -0.876) 0.886 7.119 ( -6.667 0.000 -6.133) 9.059 7.187 ( -3.592 0.000 2.506) 4.380 7.545 ( 0.248 0.000 -1.207) 1.232 7.563 ( 0.427 0.000 3.116) 3.145 7.681 ( -0.164 0.000 3.509) 3.513 7.764 ( -0.119 0.000 -3.850) 3.852 8.313 ( 4.422 0.000 -6.521) 7.879 8.472 ( 0.277 0.000 -5.815) 5.822 8.605 ( 3.591 0.000 -0.163) 3.595 8.776 ( 5.163 0.000 4.033) 6.552 9.219 ( -7.347 0.000 1.808) 7.567 9.408 ( -10.899 0.000 1.067) 10.951 9.433 ( -5.768 0.000 -3.106) 6.551 9.596 ( -7.425 0.000 -1.506) 7.576 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -21.466 0.000 1.671) 21.531 0.757 ( -22.158 0.000 -1.291) 22.195 0.866 ( -3.275 0.000 5.086) 6.049 0.901 ( -2.924 0.000 5.641) 6.354 0.956 ( -4.187 0.000 -1.184) 4.351 1.031 ( -2.154 0.000 0.165) 2.160 1.049 ( -4.886 0.000 1.761) 5.194 1.085 ( -6.187 0.000 -1.711) 6.419 1.124 ( -1.558 0.000 -2.093) 2.609 1.213 ( -2.369 0.000 -4.487) 5.073 1.234 ( -3.163 0.000 -1.930) 3.705 1.253 ( -1.442 0.000 -3.063) 3.386 1.324 ( -2.412 0.000 0.567) 2.478 1.363 ( -2.129 0.000 2.708) 3.445 1.376 ( -4.514 0.000 -0.299) 4.524 1.462 ( -3.375 0.000 -3.965) 5.207 1.587 ( 1.628 0.000 -0.966) 1.894 1.618 ( -2.755 0.000 1.973) 3.389 1.710 ( 2.292 0.000 -1.691) 2.849 1.714 ( -1.981 0.000 4.931) 5.314 1.887 ( -1.591 0.000 7.271) 7.443 1.901 ( 1.396 0.000 -1.458) 2.018 2.032 ( -3.629 0.000 7.546) 8.374 2.062 ( 1.682 0.000 -4.495) 4.799 2.192 ( -2.277 0.000 8.007) 8.324 2.295 ( 0.777 0.000 0.153) 0.792 2.303 ( -2.164 0.000 5.627) 6.029 2.390 ( -4.658 0.000 -4.960) 6.805 2.473 ( -1.905 0.000 -1.539) 2.449 2.613 ( -4.452 0.000 -0.410) 4.471 2.645 ( -2.006 0.000 -2.345) 3.086 2.702 ( -6.762 0.000 -6.240) 9.201 2.713 ( -2.682 0.000 7.864) 8.309 2.869 ( -1.905 0.000 -6.381) 6.660 2.879 ( -2.861 0.000 0.695) 2.944 2.944 ( -3.411 0.000 -6.900) 7.697 3.989 ( -24.746 0.000 -5.653) 25.384 4.020 ( -28.556 0.000 0.019) 28.556 4.277 ( -21.592 0.000 4.097) 21.978 4.288 ( -26.105 0.000 -1.710) 26.161 4.654 ( -10.529 0.000 14.313) 17.769 4.802 ( 0.602 0.000 -8.667) 8.688 4.861 ( -11.733 0.000 0.992) 11.774 4.874 ( -0.055 0.000 -2.535) 2.535 5.101 ( 5.394 0.000 -1.035) 5.493 5.202 ( -5.635 0.000 -7.069) 9.040 5.436 ( 2.246 0.000 -3.376) 4.055 5.538 ( -1.805 0.000 -1.771) 2.529 5.648 ( 3.539 0.000 -3.750) 5.156 5.865 ( -4.576 0.000 2.253) 5.101 5.924 ( -4.989 0.000 4.192) 6.517 5.978 ( -3.330 0.000 -3.701) 4.979 6.485 ( -0.501 0.000 7.952) 7.968 6.568 ( 5.030 0.000 6.283) 8.048 6.731 ( -5.172 0.000 -1.375) 5.352 6.786 ( -2.215 0.000 6.399) 6.772 6.927 ( -1.521 0.000 -2.163) 2.644 6.946 ( -3.969 0.000 -2.299) 4.586 7.056 ( 1.580 0.000 -5.665) 5.881 7.126 ( -3.012 0.000 0.770) 3.109 7.545 ( 0.412 0.000 -1.780) 1.827 7.547 ( -1.873 0.000 4.089) 4.498 7.692 ( 0.846 0.000 1.944) 2.120 7.767 ( 0.327 0.000 -3.904) 3.918 8.429 ( 7.114 0.000 -4.690) 8.521 8.535 ( 7.423 0.000 -7.140) 10.300 8.611 ( -3.357 0.000 2.045) 3.931 8.826 ( -3.592 0.000 3.092) 4.739 9.134 ( -0.381 0.000 1.086) 1.151 9.231 ( -4.943 0.000 1.075) 5.058 9.318 ( -5.940 0.000 -2.178) 6.327 9.441 ( -8.607 0.000 -0.645) 8.631 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 1.059 -0.485 2.894) 3.120 0.405 ( -1.295 -0.817 -1.521) 2.159 0.838 ( -2.700 -1.280 7.000) 7.611 0.855 ( 0.615 -0.774 5.721) 5.806 0.895 ( 1.124 -0.357 5.632) 5.754 0.947 ( -0.665 -1.295 1.223) 1.901 1.063 ( 0.099 3.399 2.223) 4.063 1.109 ( 1.690 3.809 -0.731) 4.230 1.130 ( -3.350 0.784 -2.478) 4.240 1.197 ( 1.020 1.333 -3.747) 4.106 1.205 ( -0.234 0.378 -0.909) 1.012 1.237 ( 0.100 -0.235 -3.740) 3.748 1.322 ( -1.275 2.969 2.013) 3.807 1.377 ( 0.999 2.985 -2.377) 3.945 1.398 ( 0.518 3.596 0.068) 3.634 1.431 ( -0.319 0.252 -1.975) 2.016 1.579 ( 2.145 -1.094 2.837) 3.721 1.632 ( -1.909 1.621 -2.333) 3.422 1.665 ( -2.227 -0.807 4.657) 5.225 1.736 ( 1.595 -1.897 -1.257) 2.779 1.857 ( -2.421 1.719 6.406) 7.061 1.905 ( 1.450 -1.233 3.556) 4.033 1.965 ( -2.084 -0.866 5.391) 5.844 2.054 ( 0.119 -3.499 -1.407) 3.774 2.187 ( 0.460 0.665 6.089) 6.142 2.238 ( -0.620 -0.758 2.717) 2.888 2.344 ( 0.389 2.040 -3.403) 3.987 2.377 ( 2.748 -0.005 -4.857) 5.581 2.468 ( 2.189 0.990 2.434) 3.420 2.548 ( 0.161 -1.540 3.406) 3.742 2.585 ( -1.019 -0.615 -4.752) 4.899 2.629 ( -1.294 -0.221 -4.704) 4.884 2.708 ( -0.639 0.729 4.010) 4.126 2.781 ( -0.589 -3.462 0.194) 3.517 2.888 ( 0.274 1.498 -2.851) 3.232 2.908 ( -0.539 0.943 -7.146) 7.228 3.667 ( -1.958 2.422 2.425) 3.947 3.732 ( 1.554 1.223 -3.687) 4.184 3.982 ( -1.716 -0.596 1.227) 2.192 4.023 ( 1.154 -1.126 -2.278) 2.791 4.655 ( 0.507 3.084 8.627) 9.176 4.722 ( -1.738 0.723 2.025) 2.765 4.785 ( 1.646 -2.996 -4.564) 5.702 4.862 ( 0.203 -4.469 -10.994) 11.869 5.138 ( -1.359 1.949 5.676) 6.153 5.248 ( -1.614 3.152 -3.865) 5.242 5.473 ( -2.166 -0.310 -1.143) 2.469 5.521 ( 4.651 0.275 -3.559) 5.863 5.745 ( -7.297 2.141 1.588) 7.768 5.793 ( 7.026 2.614 -2.612) 7.939 5.877 ( -1.831 -1.915 2.453) 3.611 5.919 ( 0.911 -0.562 -2.175) 2.424 6.446 ( 1.382 -2.499 9.100) 9.538 6.548 ( -1.787 -5.917 2.442) 6.646 6.727 ( -1.644 1.431 1.690) 2.758 6.796 ( 4.713 3.758 -0.616) 6.059 6.905 ( 0.409 1.158 -0.901) 1.523 6.948 ( -2.110 2.872 -2.583) 4.401 7.043 ( -3.440 -2.802 -1.737) 4.765 7.068 ( 4.537 -3.885 -2.796) 6.595 7.523 ( -0.079 0.844 2.751) 2.878 7.573 ( 1.776 -0.043 -2.384) 2.973 7.704 ( -0.173 0.400 1.890) 1.939 7.762 ( -0.638 -0.642 -3.751) 3.858 8.454 ( -4.477 -3.437 2.451) 6.154 8.462 ( -3.024 -3.347 1.550) 4.770 8.714 ( -4.127 4.614 1.080) 6.284 8.756 ( 6.842 1.739 -2.995) 7.669 9.188 ( 3.402 0.410 1.473) 3.730 9.214 ( -1.829 -0.410 -1.110) 2.179 9.274 ( 3.643 0.168 0.320) 3.661 9.286 ( -5.326 -0.064 -0.821) 5.389 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 17.540 -1.993 2.517) 17.831 0.727 ( 19.543 -3.082 2.831) 19.986 0.823 ( 2.505 0.177 7.938) 8.325 0.894 ( 4.188 -0.178 5.417) 6.850 0.948 ( 4.706 1.642 3.017) 5.826 1.027 ( 8.860 -2.281 -0.261) 9.153 1.096 ( 1.606 1.406 -0.192) 2.144 1.114 ( 3.970 1.451 1.238) 4.405 1.164 ( 2.777 3.717 -3.464) 5.790 1.208 ( 1.781 1.201 -0.882) 2.322 1.247 ( 2.730 2.444 -1.146) 3.840 1.267 ( 3.972 -1.415 -2.525) 4.914 1.321 ( 2.049 1.385 0.653) 2.558 1.412 ( 3.297 2.049 2.145) 4.435 1.428 ( 1.567 2.104 -2.146) 3.389 1.435 ( 1.910 1.599 -1.039) 2.699 1.591 ( -1.905 1.105 -1.794) 2.840 1.624 ( 2.588 -0.127 2.386) 3.522 1.638 ( -0.690 -1.093 2.297) 2.636 1.748 ( -0.119 -2.087 1.846) 2.789 1.828 ( -0.577 2.545 3.036) 4.003 1.915 ( -1.667 -1.509 3.072) 3.807 1.952 ( 1.570 0.856 5.994) 6.255 2.062 ( 0.913 -3.409 2.037) 4.075 2.215 ( 1.396 -0.474 6.548) 6.712 2.262 ( 2.025 0.217 2.935) 3.573 2.360 ( 1.024 2.663 -3.135) 4.239 2.434 ( 2.987 -1.197 -8.522) 9.109 2.555 ( 5.766 0.794 4.883) 7.597 2.589 ( 4.053 -0.155 1.242) 4.242 2.611 ( 4.317 -0.193 -6.218) 7.572 2.655 ( 3.285 -1.565 -3.345) 4.943 2.713 ( 1.183 1.175 5.166) 5.428 2.809 ( 3.357 -3.683 0.729) 5.036 2.915 ( 2.294 1.333 -2.987) 3.995 2.926 ( 2.593 1.309 -5.998) 6.664 3.970 ( 27.641 3.942 1.169) 27.946 4.093 ( 22.799 5.216 -4.291) 23.779 4.181 ( 26.094 -4.077 3.540) 26.647 4.299 ( 23.243 -2.207 -2.427) 23.474 4.649 ( 0.930 2.529 5.893) 6.480 4.776 ( 9.117 -2.197 -0.336) 9.384 4.884 ( 7.494 -0.609 -3.977) 8.506 4.918 ( 10.717 -3.821 -4.773) 12.339 5.003 ( -9.416 0.757 1.785) 9.614 5.236 ( 1.145 -0.594 4.448) 4.631 5.477 ( 0.546 3.366 -3.330) 4.766 5.590 ( -2.725 3.700 2.747) 5.354 5.644 ( 3.169 1.595 -8.447) 9.162 5.807 ( -1.025 -5.191 2.441) 5.827 5.959 ( 6.433 0.108 -1.075) 6.523 5.979 ( 4.805 2.408 -0.105) 5.376 6.465 ( -0.074 -3.353 5.613) 6.538 6.531 ( -0.157 -3.993 6.457) 7.594 6.689 ( -0.665 2.939 -0.839) 3.127 6.882 ( 2.312 -2.085 -5.145) 6.013 6.926 ( 0.450 2.289 -1.551) 2.802 6.950 ( 2.437 1.984 2.879) 4.262 7.003 ( 1.003 -1.071 -3.030) 3.367 7.157 ( 4.741 -3.372 -2.585) 6.367 7.537 ( 1.271 2.049 0.774) 2.532 7.619 ( 2.182 0.100 -3.493) 4.120 7.695 ( -0.730 0.046 3.026) 3.113 7.745 ( -0.340 -0.728 -3.511) 3.602 8.301 ( -8.918 -0.303 7.591) 11.715 8.366 ( -5.098 -2.437 5.272) 7.728 8.700 ( -0.773 5.033 0.090) 5.093 8.853 ( 0.771 -2.068 -1.302) 2.563 9.175 ( 1.454 0.903 -2.052) 2.672 9.227 ( 4.032 -1.673 -1.181) 4.523 9.321 ( 6.560 2.654 1.220) 7.181 9.413 ( 7.966 -1.653 0.783) 8.173 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 2.947 -2.439 8.367) 9.200 0.851 ( 3.883 -1.765 6.286) 7.596 0.978 ( 4.344 0.096 4.911) 6.557 0.988 ( 4.844 0.321 4.992) 6.963 1.075 ( 2.092 -0.317 -2.328) 3.146 1.134 ( 2.689 -0.521 -2.361) 3.616 1.183 ( 2.534 1.911 0.347) 3.193 1.225 ( 8.991 0.600 -0.399) 9.020 1.236 ( 3.167 3.570 -2.604) 5.437 1.279 ( 3.836 0.796 -1.053) 4.056 1.310 ( 4.664 0.826 -1.510) 4.971 1.354 ( 4.668 0.353 0.638) 4.725 1.381 ( 5.610 0.857 -0.611) 5.708 1.451 ( 1.553 0.279 -0.517) 1.660 1.489 ( 2.364 0.951 0.309) 2.567 1.547 ( 5.810 2.354 1.931) 6.560 1.602 ( 5.931 0.807 -0.134) 5.987 1.638 ( 1.344 -2.403 1.449) 3.111 1.678 ( 2.482 -0.205 -1.283) 2.802 1.751 ( 0.985 -1.184 0.398) 1.591 1.821 ( -1.063 2.501 3.333) 4.300 1.900 ( 1.335 -2.505 2.465) 3.760 2.013 ( 4.622 2.816 2.801) 6.094 2.100 ( 2.579 -1.681 4.392) 5.364 2.252 ( 2.779 -0.681 5.999) 6.646 2.292 ( 1.393 -0.634 6.151) 6.339 2.386 ( 2.390 2.685 -2.265) 4.249 2.484 ( 3.232 -1.716 -8.548) 9.298 2.660 ( 4.925 -0.458 4.584) 6.744 2.683 ( 4.602 -0.034 3.256) 5.637 2.709 ( 4.815 -0.518 -1.834) 5.179 2.736 ( 6.622 0.576 -6.941) 9.610 2.780 ( 5.113 2.156 3.224) 6.418 2.901 ( 6.103 -3.583 1.210) 7.179 2.968 ( 3.737 1.229 -5.230) 6.544 2.998 ( 5.257 0.533 -3.559) 6.371 4.219 ( -1.991 4.087 0.050) 4.546 4.318 ( 4.511 2.419 -2.715) 5.795 4.502 ( -0.734 -2.544 1.809) 3.206 4.595 ( 0.955 -4.550 -0.996) 4.754 4.850 ( -0.523 1.832 -4.060) 4.485 4.915 ( 4.749 0.624 1.957) 5.174 5.181 ( 42.855 0.707 3.320) 42.989 5.220 ( 29.804 -0.051 0.126) 29.804 5.302 ( 9.815 -0.132 2.044) 10.027 5.455 ( 23.589 -4.529 5.102) 24.556 5.507 ( 13.928 3.548 -1.361) 14.437 5.559 ( 4.103 1.859 -6.103) 7.585 5.746 ( 6.365 3.692 -5.295) 9.065 5.864 ( 8.313 -4.694 1.060) 9.605 6.054 ( 5.922 2.427 0.020) 6.400 6.094 ( 5.570 -0.726 -0.809) 5.675 6.468 ( 0.935 -2.721 4.157) 5.056 6.533 ( 0.144 -2.482 7.856) 8.240 6.726 ( 4.631 0.613 -0.639) 4.715 6.907 ( 1.060 -2.663 -4.402) 5.253 6.931 ( 0.892 0.443 -3.709) 3.841 6.973 ( 1.378 -2.070 0.082) 2.488 7.087 ( 5.383 3.964 2.480) 7.130 7.240 ( 4.166 -3.034 -2.144) 5.582 7.551 ( -0.335 2.094 -0.129) 2.125 7.623 ( -1.090 1.799 -2.177) 3.027 7.688 ( 0.328 0.807 3.522) 3.628 7.771 ( 2.593 -1.471 -5.388) 6.157 8.193 ( -2.384 1.782 7.193) 7.784 8.315 ( -0.225 -3.015 6.260) 6.952 8.640 ( -4.946 4.208 1.217) 6.607 8.796 ( -4.830 -2.515 -0.440) 5.463 9.280 ( 8.256 1.243 -2.748) 8.790 9.346 ( 6.664 -1.623 0.753) 6.899 9.475 ( 9.313 2.010 -0.429) 9.538 9.554 ( 6.633 -1.434 1.434) 6.937 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 2.660 -0.035 8.834) 9.225 0.925 ( 3.618 -0.948 2.885) 4.723 1.035 ( 1.788 -0.372 1.562) 2.403 1.052 ( 1.594 -0.961 4.177) 4.573 1.092 ( 0.813 -1.200 0.295) 1.479 1.146 ( -0.267 -1.994 -0.772) 2.154 1.216 ( 1.645 2.613 -0.465) 3.122 1.255 ( -0.311 2.422 0.796) 2.568 1.298 ( 0.740 -0.276 -2.297) 2.429 1.320 ( 0.681 0.540 0.726) 1.133 1.361 ( 0.317 2.576 -1.518) 3.006 1.400 ( 2.621 2.685 -0.413) 3.775 1.467 ( -0.325 2.205 -0.450) 2.274 1.476 ( -0.408 -0.953 -0.663) 1.231 1.553 ( 3.286 -0.541 0.938) 3.460 1.590 ( 1.902 0.712 1.467) 2.506 1.659 ( 0.987 -1.826 2.257) 3.067 1.677 ( 0.622 -2.083 0.976) 2.383 1.748 ( -0.150 0.880 -0.090) 0.897 1.778 ( 3.446 0.986 -3.615) 5.091 1.873 ( 7.119 1.981 0.144) 7.391 1.956 ( 2.841 -3.004 -0.572) 4.175 2.087 ( 2.620 2.335 3.736) 5.126 2.137 ( 0.608 -0.175 3.508) 3.564 2.340 ( 5.521 -0.999 4.866) 7.427 2.353 ( 4.710 -1.210 6.974) 8.502 2.459 ( 5.157 2.818 -0.712) 5.920 2.560 ( 4.952 -1.862 -7.313) 9.026 2.743 ( 3.356 -0.344 3.406) 4.794 2.754 ( 3.448 -0.642 8.432) 9.132 2.808 ( 4.907 1.845 -4.404) 6.847 2.861 ( 6.537 -0.009 -8.536) 10.751 2.883 ( 5.082 2.216 4.867) 7.377 3.026 ( 6.459 -3.494 2.378) 7.719 3.049 ( 4.720 1.355 -7.006) 8.556 3.109 ( 5.876 -0.445 -2.903) 6.569 4.135 ( -5.131 3.177 1.545) 6.230 4.282 ( -4.637 -0.144 -4.338) 6.352 4.431 ( -5.854 -2.484 0.272) 6.365 4.458 ( -9.479 -2.768 -0.460) 9.885 4.899 ( 4.312 1.570 -1.289) 4.766 4.992 ( 4.351 2.159 5.367) 7.238 5.240 ( -6.036 2.623 -0.717) 6.620 5.420 ( -1.542 -0.096 -8.882) 9.016 5.665 ( 6.440 0.545 3.258) 7.238 5.736 ( 4.455 2.145 -1.245) 5.099 5.927 ( 13.772 -0.194 0.361) 13.778 5.989 ( 27.104 -0.132 3.128) 27.284 6.057 ( 25.531 -3.193 2.921) 25.895 6.105 ( 9.770 -3.878 -0.589) 10.528 6.190 ( 6.708 2.323 -3.214) 7.792 6.250 ( 14.551 1.346 -2.211) 14.779 6.545 ( 7.201 -1.706 4.716) 8.775 6.570 ( 4.994 -1.397 7.615) 9.213 6.864 ( 9.144 -2.047 1.779) 9.538 6.932 ( 2.436 -2.533 -4.109) 5.407 6.971 ( 3.809 0.452 -4.340) 5.792 7.016 ( 3.977 -1.770 -1.377) 4.566 7.200 ( 6.837 3.191 4.183) 8.627 7.319 ( 4.516 -2.783 -1.189) 5.436 7.531 ( -1.452 1.949 -0.012) 2.430 7.591 ( -1.940 1.588 -2.364) 3.446 7.711 ( 1.232 2.134 3.473) 4.259 7.802 ( 0.843 -1.062 -5.485) 5.650 8.211 ( 3.316 2.373 4.678) 6.205 8.353 ( 3.111 -3.844 5.314) 7.259 8.548 ( -3.985 4.285 1.025) 5.940 8.705 ( -4.552 -2.637 -0.627) 5.298 9.436 ( 7.524 0.669 -2.726) 8.030 9.453 ( 4.386 0.031 2.796) 5.202 9.644 ( 7.865 0.203 -2.054) 8.131 9.661 ( 4.543 -0.485 2.144) 5.047 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 2.046 0.932 6.840) 7.200 0.982 ( 1.905 -0.354 0.313) 1.962 1.044 ( 0.638 -2.783 1.380) 3.171 1.065 ( -1.050 -2.794 1.464) 3.325 1.107 ( 0.438 -0.448 2.310) 2.393 1.134 ( -0.816 -1.391 0.946) 1.870 1.244 ( 0.769 1.641 1.563) 2.394 1.265 ( 1.777 3.009 -0.330) 3.510 1.292 ( -0.786 -0.466 0.243) 0.945 1.329 ( 0.547 0.936 0.619) 1.248 1.356 ( -0.792 4.309 -1.527) 4.640 1.415 ( -1.106 3.880 -2.397) 4.693 1.450 ( 0.160 1.300 -0.252) 1.334 1.467 ( -0.407 0.168 -1.789) 1.842 1.553 ( -0.527 -0.783 3.542) 3.665 1.608 ( -0.637 -1.950 0.220) 2.063 1.678 ( 0.320 -1.884 0.998) 2.155 1.690 ( 1.237 -1.577 -1.023) 2.250 1.768 ( 1.607 1.532 0.267) 2.236 1.802 ( -0.108 2.154 -1.418) 2.581 1.951 ( -0.513 -1.336 2.561) 2.934 1.989 ( 1.765 -1.401 -3.043) 3.786 2.118 ( 0.016 1.723 4.541) 4.857 2.166 ( 3.356 0.674 -2.099) 4.015 2.423 ( 2.180 -1.638 5.590) 6.220 2.434 ( 2.588 -0.888 3.707) 4.607 2.543 ( 2.530 2.380 1.756) 3.892 2.630 ( 1.997 -1.764 -5.831) 6.411 2.789 ( 1.077 0.193 3.160) 3.344 2.810 ( 1.260 -0.737 7.649) 7.787 2.875 ( 2.225 2.496 -4.717) 5.782 2.958 ( 3.177 0.815 0.462) 3.313 2.961 ( 3.015 1.040 -2.605) 4.117 3.116 ( 2.472 1.579 -6.787) 7.394 3.126 ( 3.118 -3.806 1.817) 5.245 3.191 ( 2.493 -0.901 -3.282) 4.219 4.070 ( -1.174 2.288 2.486) 3.576 4.196 ( -3.554 -1.346 -5.482) 6.670 4.312 ( -4.337 -0.540 1.119) 4.511 4.340 ( -3.178 -2.897 -1.349) 4.506 4.984 ( 3.954 1.829 1.615) 4.647 5.084 ( 4.693 1.238 6.886) 8.425 5.133 ( -4.521 4.492 -3.840) 7.441 5.359 ( -3.619 -2.039 -10.382) 11.182 5.721 ( 0.788 2.535 3.426) 4.334 5.783 ( 1.434 4.847 -3.704) 6.267 6.047 ( 3.441 -2.390 2.463) 4.860 6.138 ( -1.132 -2.445 -1.310) 2.996 6.267 ( 2.474 -2.016 5.259) 6.151 6.336 ( 4.327 -0.732 -1.925) 4.793 6.360 ( 7.811 -1.551 4.048) 8.933 6.443 ( 4.543 -2.038 -1.496) 5.199 6.669 ( 5.102 0.892 5.453) 7.521 6.717 ( 4.877 -0.668 2.126) 5.362 6.940 ( 0.571 -0.130 2.732) 2.794 6.984 ( 1.307 -1.719 -3.838) 4.404 7.115 ( 7.802 -1.779 -1.817) 8.206 7.140 ( 6.748 -2.109 -3.702) 7.981 7.337 ( 5.963 1.670 3.616) 7.171 7.405 ( 3.548 -2.331 0.900) 4.339 7.496 ( -2.027 2.485 -0.516) 3.248 7.549 ( -2.264 1.492 -3.312) 4.280 7.723 ( -0.158 2.561 3.920) 4.685 7.804 ( -0.123 -0.434 -4.440) 4.463 8.300 ( 5.372 2.052 2.446) 6.250 8.390 ( -0.531 -1.295 1.476) 2.034 8.520 ( 1.437 1.604 2.250) 3.115 8.626 ( -3.734 -2.406 -1.220) 4.607 9.507 ( 0.920 0.889 3.407) 3.639 9.541 ( 3.370 -0.442 -2.164) 4.029 9.721 ( 1.487 0.684 2.105) 2.667 9.753 ( 3.503 -0.534 -2.817) 4.526 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.034 1.033 3.479) 3.629 0.999 ( -0.436 -1.664 0.338) 1.753 1.039 ( -0.327 -2.705 0.677) 2.808 1.059 ( -0.935 -4.436 3.688) 5.844 1.106 ( 0.285 0.745 1.774) 1.946 1.129 ( 0.273 -1.219 2.244) 2.568 1.242 ( -1.380 2.945 0.962) 3.392 1.276 ( -0.120 0.726 -0.720) 1.029 1.300 ( -0.482 1.563 1.313) 2.098 1.315 ( -0.187 3.364 -2.399) 4.136 1.358 ( -0.001 4.124 0.828) 4.206 1.396 ( 0.420 4.195 -2.160) 4.737 1.463 ( -0.038 0.394 -2.103) 2.140 1.469 ( 1.513 0.446 -1.454) 2.145 1.569 ( 1.970 -2.343 3.990) 5.029 1.599 ( 0.074 -1.726 0.032) 1.728 1.667 ( -1.283 -0.941 0.588) 1.696 1.704 ( -0.735 -1.641 -1.253) 2.192 1.780 ( -0.777 1.936 -0.842) 2.250 1.786 ( -0.702 1.526 0.036) 1.680 1.926 ( -1.617 -1.992 2.577) 3.636 1.985 ( -1.580 -2.950 -0.696) 3.418 2.122 ( -0.175 4.259 2.524) 4.954 2.218 ( 1.752 -0.365 -5.018) 5.328 2.418 ( -2.918 -1.174 5.329) 6.188 2.441 ( -1.996 -1.010 3.516) 4.167 2.537 ( -3.333 1.775 3.433) 5.103 2.616 ( -3.256 -1.751 -4.941) 6.171 2.772 ( -3.244 0.270 4.584) 5.622 2.799 ( -2.531 -0.938 5.445) 6.078 2.881 ( -1.255 2.937 -5.108) 6.024 2.968 ( -1.862 2.783 6.042) 6.908 2.989 ( -0.294 -1.268 -8.503) 8.602 3.116 ( -2.257 1.026 -8.213) 8.579 3.132 ( -2.489 -3.094 2.037) 4.463 3.191 ( -2.272 -0.997 -3.287) 4.118 4.099 ( 3.734 0.848 3.337) 5.079 4.164 ( 1.015 -1.154 -6.572) 6.749 4.303 ( 2.930 -0.917 2.097) 3.717 4.345 ( 4.259 -2.700 -1.778) 5.347 4.987 ( -4.140 4.736 1.970) 6.591 5.119 ( 3.949 2.780 -2.781) 5.573 5.172 ( 3.177 1.735 5.043) 6.207 5.287 ( -2.659 -1.707 -10.515) 10.979 5.727 ( -0.096 4.107 2.287) 4.701 5.792 ( -0.429 4.471 -3.992) 6.010 6.091 ( 1.143 -2.542 3.339) 4.349 6.095 ( -3.217 -1.594 -1.809) 4.020 6.255 ( -4.285 -2.600 5.364) 7.341 6.332 ( -4.040 -2.157 -0.523) 4.609 6.393 ( -4.179 -2.441 3.137) 5.767 6.418 ( -7.736 -1.383 -1.413) 7.985 6.677 ( -5.131 0.031 4.938) 7.122 6.705 ( -6.188 -0.763 2.220) 6.619 6.928 ( -1.735 1.012 3.258) 3.827 6.989 ( -0.738 -1.913 -2.906) 3.556 7.115 ( -7.483 -1.506 -2.557) 8.050 7.153 ( -5.890 -2.380 -4.186) 7.608 7.369 ( -3.699 0.046 3.848) 5.338 7.389 ( -4.549 -1.359 -1.603) 5.011 7.488 ( 1.014 2.564 0.871) 2.891 7.533 ( 1.408 1.637 -1.799) 2.811 7.719 ( -0.313 2.608 3.869) 4.676 7.798 ( -0.366 -0.307 -3.348) 3.382 8.347 ( -2.891 1.765 -2.186) 4.032 8.400 ( 4.489 0.356 0.059) 4.503 8.557 ( -1.594 -1.100 -0.330) 1.964 8.586 ( 3.052 -1.083 1.975) 3.793 9.485 ( -3.525 1.313 3.301) 5.005 9.556 ( -1.634 -1.750 -1.190) 2.674 9.714 ( -2.381 1.754 0.896) 3.090 9.772 ( -1.271 -0.750 -2.970) 3.317 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -1.643 0.112 1.191) 2.033 0.966 ( -2.265 -1.248 1.454) 2.967 1.017 ( -3.172 -3.155 6.532) 7.917 1.044 ( -0.648 -3.555 1.044) 3.762 1.114 ( 0.891 1.075 1.324) 1.924 1.138 ( -1.306 0.262 0.037) 1.333 1.206 ( -0.896 2.837 -0.453) 3.010 1.256 ( -2.377 2.181 -1.536) 3.573 1.283 ( 0.141 1.086 -0.635) 1.266 1.331 ( -0.405 3.014 -1.220) 3.277 1.343 ( -0.622 5.039 1.200) 5.217 1.396 ( -1.910 3.810 -1.104) 4.403 1.466 ( 0.564 -0.802 -0.690) 1.199 1.486 ( -0.549 -0.668 -1.593) 1.813 1.567 ( -5.591 -0.910 -0.521) 5.689 1.607 ( 0.690 -0.790 0.753) 1.291 1.653 ( -1.639 -0.620 3.443) 3.864 1.668 ( 0.850 -0.703 1.549) 1.901 1.745 ( -3.429 -0.389 -1.617) 3.811 1.763 ( -2.402 -0.316 -1.630) 2.920 1.900 ( -0.993 -1.247 -1.249) 2.025 1.946 ( -2.398 -2.659 -0.045) 3.581 2.096 ( -2.940 4.700 2.557) 6.105 2.209 ( -2.954 -0.322 -2.222) 3.710 2.335 ( -5.372 -0.521 5.816) 7.935 2.379 ( -4.004 -1.266 3.917) 5.742 2.436 ( -6.466 1.418 3.939) 7.703 2.522 ( -5.243 -1.807 -5.150) 7.568 2.679 ( -6.412 0.794 5.740) 8.642 2.733 ( -4.455 -1.889 3.216) 5.810 2.830 ( -3.748 2.805 -4.653) 6.601 2.904 ( -4.694 2.368 4.381) 6.843 2.945 ( -3.796 -1.310 -7.556) 8.556 3.025 ( -6.302 -1.202 -4.014) 7.568 3.059 ( -4.548 0.068 -4.608) 6.475 3.113 ( -5.299 -0.959 -2.862) 6.098 4.190 ( 4.979 0.381 3.815) 6.284 4.221 ( 4.609 -1.427 -6.849) 8.378 4.403 ( 6.704 -2.100 3.085) 7.673 4.482 ( 9.040 -4.747 -2.719) 10.566 4.894 ( -5.144 7.988 0.158) 9.502 5.139 ( -4.293 3.412 -7.885) 9.604 5.226 ( 5.206 -0.129 2.690) 5.861 5.299 ( 2.933 2.192 -1.172) 3.845 5.718 ( -1.358 4.111 0.345) 4.343 5.737 ( -7.052 2.864 -3.946) 8.573 5.967 ( -16.320 -1.814 -2.299) 16.581 6.034 ( -19.382 -2.608 -1.063) 19.586 6.079 ( -15.899 -2.477 2.796) 16.332 6.105 ( -21.036 1.603 0.942) 21.118 6.119 ( -13.846 -1.849 0.138) 13.970 6.208 ( -11.673 -1.040 2.070) 11.901 6.485 ( -9.022 -2.572 9.125) 13.087 6.597 ( -4.532 -2.401 4.988) 7.155 6.879 ( -6.089 -0.244 4.502) 7.577 6.908 ( -5.059 -1.194 -3.228) 6.119 6.968 ( -5.121 -1.662 -6.702) 8.597 7.022 ( -3.977 -2.166 -0.949) 4.627 7.261 ( -6.414 0.651 1.359) 6.588 7.279 ( -5.576 -0.064 -1.261) 5.717 7.518 ( 1.503 1.439 1.506) 2.568 7.568 ( 1.755 1.075 0.351) 2.088 7.709 ( -1.041 1.960 3.138) 3.843 7.782 ( -1.038 -0.275 -2.866) 3.061 8.303 ( -1.014 2.124 -4.687) 5.245 8.439 ( -0.634 -3.710 -3.490) 5.133 8.566 ( 3.758 2.973 -0.690) 4.841 8.667 ( 4.709 -1.384 3.360) 5.948 9.381 ( -7.243 1.550 2.766) 7.907 9.482 ( -6.010 -3.108 -0.017) 6.766 9.633 ( -5.935 2.787 -1.039) 6.638 9.708 ( -5.075 -0.855 -2.603) 5.768 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -4.881 -1.936 1.472) 5.454 0.914 ( -3.577 -1.849 2.719) 4.859 0.957 ( -3.447 -0.311 7.145) 7.939 1.013 ( -2.939 -1.654 4.739) 5.816 1.060 ( -5.943 2.552 -3.156) 7.197 1.130 ( -0.315 0.532 -0.185) 0.645 1.183 ( -6.216 -0.295 -0.618) 6.254 1.207 ( -5.526 3.824 -1.614) 6.912 1.233 ( -3.376 2.390 -2.214) 4.692 1.278 ( -3.253 0.900 -0.339) 3.392 1.304 ( -4.337 2.842 -1.669) 5.447 1.368 ( -4.023 1.931 0.550) 4.496 1.380 ( -5.058 3.680 -1.584) 6.452 1.436 ( -3.803 -1.477 0.061) 4.080 1.493 ( -0.281 -0.196 -0.075) 0.350 1.561 ( -7.976 1.374 1.351) 8.206 1.595 ( -4.695 0.647 -1.945) 5.123 1.666 ( -1.623 -1.959 -1.321) 2.866 1.698 ( -0.164 -1.372 -0.516) 1.475 1.715 ( -0.783 -2.738 2.318) 3.672 1.881 ( -1.412 0.188 -1.615) 2.154 1.913 ( -0.411 -0.288 1.471) 1.554 2.030 ( -3.008 1.036 1.687) 3.601 2.126 ( -4.494 0.507 1.794) 4.865 2.249 ( -3.594 0.252 7.691) 8.494 2.314 ( -2.850 -1.841 5.218) 6.224 2.345 ( -2.784 2.100 1.750) 3.902 2.447 ( -2.497 -2.096 -5.789) 6.643 2.558 ( -6.010 1.379 4.345) 7.544 2.645 ( -4.630 -3.202 2.025) 5.982 2.739 ( -5.364 1.753 -2.369) 6.120 2.812 ( -5.046 2.122 1.386) 5.647 2.845 ( -5.923 -0.577 -4.270) 7.325 2.903 ( -5.838 -1.365 -3.916) 7.161 2.974 ( -3.925 0.945 -5.704) 6.988 3.013 ( -4.374 -0.803 -4.214) 6.127 4.259 ( 0.333 1.403 1.213) 1.884 4.281 ( -0.280 -0.897 -4.238) 4.341 4.511 ( 1.717 -4.665 4.197) 6.506 4.570 ( -5.799 -5.498 -3.360) 8.669 4.835 ( 1.298 7.771 -0.528) 7.896 5.001 ( -11.674 2.768 -6.136) 13.475 5.184 ( -21.341 2.682 2.325) 21.634 5.251 ( -34.646 1.815 -2.442) 34.779 5.350 ( -17.719 0.547 -2.602) 17.917 5.442 ( -17.935 3.408 1.335) 18.305 5.503 ( -10.974 2.385 -0.903) 11.266 5.569 ( -19.525 -5.382 -4.261) 20.697 5.719 ( -4.398 4.078 -1.908) 6.294 5.874 ( -4.646 -3.438 1.079) 5.879 6.021 ( -4.990 -0.673 3.570) 6.173 6.082 ( -4.782 -0.423 0.056) 4.801 6.415 ( -1.019 -2.701 9.260) 9.699 6.548 ( -0.638 -2.104 5.309) 5.746 6.752 ( -5.136 -2.895 -0.983) 5.977 6.857 ( -2.503 1.351 1.960) 3.455 6.909 ( -0.737 -3.055 -5.253) 6.121 6.985 ( -0.824 -1.809 -0.251) 2.004 7.142 ( -6.164 2.444 -1.521) 6.803 7.192 ( -4.036 -0.130 0.903) 4.138 7.535 ( 0.095 0.733 2.112) 2.237 7.587 ( -0.052 0.594 1.229) 1.366 7.692 ( -0.490 1.379 1.963) 2.448 7.767 ( -0.248 -0.414 -3.424) 3.458 8.320 ( 3.288 1.000 -5.925) 6.850 8.425 ( 0.422 -3.414 -5.046) 6.107 8.652 ( 4.155 3.471 0.006) 5.414 8.763 ( 5.058 -1.396 3.029) 6.059 9.234 ( -7.562 1.454 1.888) 7.929 9.338 ( -8.702 -3.606 0.883) 9.461 9.500 ( -7.604 3.410 -2.444) 8.684 9.586 ( -7.458 -0.965 -1.863) 7.748 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -20.093 -0.606 2.127) 20.214 0.740 ( -20.529 -1.932 1.104) 20.650 0.883 ( -4.411 -0.104 3.004) 5.338 0.897 ( -3.728 1.851 4.848) 6.390 0.947 ( -8.176 -2.530 6.229) 10.586 0.985 ( -2.861 -0.302 0.177) 2.883 1.102 ( -4.614 2.675 -0.550) 5.361 1.122 ( -2.299 1.587 -0.897) 2.934 1.174 ( -1.309 4.372 -2.990) 5.457 1.213 ( -2.655 0.260 -1.195) 2.923 1.251 ( -1.605 -0.073 -2.109) 2.652 1.266 ( -5.012 0.723 -2.787) 5.780 1.341 ( -2.531 1.995 -0.561) 3.271 1.395 ( -0.259 4.200 0.495) 4.237 1.413 ( -3.895 2.897 -0.548) 4.885 1.457 ( -3.144 -0.076 -1.422) 3.451 1.547 ( 0.704 -1.582 1.145) 2.076 1.664 ( -1.252 1.631 -1.769) 2.712 1.691 ( 0.968 -1.145 0.313) 1.531 1.707 ( -0.563 -2.763 2.253) 3.609 1.868 ( 0.529 0.056 1.704) 1.785 1.909 ( -1.281 0.473 4.347) 4.556 1.996 ( -1.320 -1.962 3.239) 4.010 2.066 ( -1.698 -0.877 -0.413) 1.955 2.204 ( -1.974 1.015 7.561) 7.880 2.271 ( -2.326 -1.640 4.333) 5.184 2.327 ( 0.686 2.276 0.505) 2.430 2.394 ( -3.061 -0.362 -4.262) 5.260 2.476 ( -2.576 0.579 0.883) 2.784 2.572 ( -2.837 -3.786 2.374) 5.293 2.641 ( -4.388 0.801 -2.226) 4.985 2.706 ( -5.678 0.320 -4.674) 7.361 2.748 ( -3.766 1.819 1.792) 4.549 2.817 ( -3.024 -2.736 -1.803) 4.459 2.911 ( -2.288 1.415 -3.877) 4.718 2.947 ( -2.638 -0.017 -6.430) 6.950 4.012 ( -26.658 2.508 -0.627) 26.783 4.054 ( -27.167 3.112 -2.798) 27.488 4.237 ( -22.402 -4.188 2.665) 22.945 4.252 ( -20.528 -2.836 -2.640) 20.890 4.704 ( -9.491 3.797 7.279) 12.549 4.768 ( -3.568 -2.183 -4.090) 5.851 4.806 ( -7.658 -1.026 -3.734) 8.581 4.952 ( -10.770 -2.343 -2.746) 11.359 5.035 ( 7.770 3.920 -0.146) 8.704 5.316 ( -4.600 4.098 -4.181) 7.445 5.463 ( 1.746 0.459 -3.511) 3.948 5.517 ( 0.698 0.554 3.099) 3.225 5.678 ( 1.885 3.369 -4.553) 5.969 5.836 ( -0.779 -2.665 -0.082) 2.778 5.917 ( -5.731 -0.301 3.513) 6.728 5.987 ( -5.075 -0.389 -0.963) 5.180 6.419 ( 0.770 -2.247 7.803) 8.157 6.565 ( 0.652 -5.256 6.659) 8.508 6.697 ( 0.190 1.593 -2.443) 2.922 6.808 ( -2.734 1.219 3.121) 4.325 6.905 ( -0.015 -1.541 -3.048) 3.416 6.994 ( 1.435 -1.856 -0.705) 2.450 7.031 ( -4.513 2.443 -3.235) 6.066 7.116 ( -4.055 -1.177 0.071) 4.223 7.529 ( -0.555 0.259 2.837) 2.903 7.570 ( -1.147 0.525 0.361) 1.312 7.697 ( 0.648 0.811 1.248) 1.623 7.767 ( 0.222 -0.643 -3.989) 4.047 8.409 ( 5.455 -1.122 -4.053) 6.888 8.462 ( 3.121 -3.824 -4.208) 6.486 8.695 ( 0.602 4.818 0.399) 4.872 8.817 ( -1.909 -1.127 2.332) 3.218 9.143 ( -0.771 0.883 1.176) 1.661 9.202 ( -3.452 -1.954 1.080) 4.111 9.357 ( -7.121 2.707 -2.125) 7.909 9.432 ( -8.450 -0.896 -1.111) 8.570 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.377 ( -0.514 -1.821 2.160) 2.871 0.377 ( -0.514 1.821 2.160) 2.871 0.835 ( -0.955 -1.213 8.801) 8.936 0.835 ( -0.955 1.213 8.801) 8.936 0.910 ( 0.062 -1.863 2.901) 3.448 0.910 ( 0.062 1.863 2.901) 3.448 1.128 ( 0.702 -2.171 1.415) 2.685 1.128 ( 0.702 2.171 1.415) 2.685 1.162 ( -2.178 -2.207 -1.693) 3.533 1.162 ( -2.178 2.207 -1.693) 3.533 1.229 ( 0.673 -0.635 -1.957) 2.164 1.229 ( 0.673 0.635 -1.957) 2.164 1.396 ( -0.195 -1.367 0.617) 1.513 1.396 ( -0.195 1.367 0.617) 1.513 1.438 ( -0.264 -1.946 -1.124) 2.263 1.438 ( -0.264 1.946 -1.124) 2.263 1.604 ( 0.177 -3.776 1.794) 4.184 1.604 ( 0.177 3.776 1.794) 4.184 1.686 ( 0.461 -2.653 -2.464) 3.650 1.686 ( 0.461 2.653 -2.464) 3.650 1.892 ( -0.814 -1.096 3.296) 3.568 1.892 ( -0.814 1.096 3.296) 3.568 1.974 ( -0.821 -2.931 3.609) 4.721 1.974 ( -0.821 2.931 3.609) 4.721 2.215 ( -0.011 -1.738 5.682) 5.942 2.215 ( -0.011 1.738 5.682) 5.942 2.372 ( 1.353 -0.655 -5.652) 5.848 2.372 ( 1.353 0.655 -5.652) 5.848 2.503 ( 2.444 -2.329 4.212) 5.398 2.503 ( 2.444 2.329 4.212) 5.398 2.603 ( -1.964 -1.933 -4.844) 5.572 2.603 ( -1.964 1.933 -4.844) 5.572 2.729 ( -1.018 -1.595 1.395) 2.351 2.729 ( -1.018 1.595 1.395) 2.351 2.912 ( 0.085 -0.644 -5.036) 5.077 2.912 ( 0.085 0.644 -5.036) 5.077 3.723 ( -0.248 -2.293 0.575) 2.377 3.723 ( -0.248 2.293 0.575) 2.377 3.992 ( 0.321 -1.547 -2.280) 2.774 3.992 ( 0.321 1.547 -2.280) 2.774 4.721 ( 0.114 -3.074 -0.388) 3.101 4.721 ( 0.114 3.074 -0.388) 3.101 4.768 ( 0.224 -4.113 -4.599) 6.174 4.768 ( 0.224 4.113 -4.599) 6.174 5.219 ( -3.570 -4.922 6.758) 9.091 5.219 ( -3.570 4.922 6.758) 9.091 5.500 ( 2.448 -2.473 -5.385) 6.411 5.500 ( 2.448 2.473 -5.385) 6.411 5.801 ( -4.465 -3.351 3.361) 6.516 5.801 ( -4.465 3.351 3.361) 6.516 5.883 ( 4.087 -3.004 -3.279) 6.039 5.883 ( 4.087 3.004 -3.279) 6.039 6.450 ( -0.041 -2.958 6.688) 7.313 6.450 ( -0.041 2.958 6.688) 7.313 6.781 ( 0.801 -3.428 -4.423) 5.653 6.781 ( 0.801 3.428 -4.423) 5.653 6.980 ( 4.311 -4.773 0.881) 6.492 6.980 ( 4.311 4.773 0.881) 6.492 6.993 ( -4.071 -1.873 -1.494) 4.724 6.993 ( -4.071 1.873 -1.494) 4.724 7.553 ( 0.975 -1.773 0.858) 2.197 7.553 ( 0.975 1.773 0.858) 2.197 7.730 ( -0.475 -2.026 -1.883) 2.806 7.730 ( -0.475 2.026 -1.883) 2.806 8.423 ( -3.231 -0.454 1.965) 3.809 8.423 ( -3.231 0.454 1.965) 3.809 8.768 ( 1.185 -0.823 -0.774) 1.637 8.768 ( 1.185 0.823 -0.774) 1.637 9.200 ( 1.973 -0.768 0.480) 2.171 9.200 ( 1.973 0.768 0.480) 2.171 9.282 ( -2.156 -0.375 -0.583) 2.264 9.282 ( -2.156 0.375 -0.583) 2.264 ======================= Grid point 155 (89/96) ======================= q-point: ( 0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 16.208 -2.325 5.629) 17.314 0.665 ( 16.208 2.325 5.629) 17.314 0.862 ( 4.873 -2.632 7.205) 9.088 0.862 ( 4.873 2.632 7.205) 9.088 0.984 ( 7.660 -1.866 0.568) 7.904 0.984 ( 7.660 1.866 0.568) 7.904 1.121 ( 0.725 -1.660 0.572) 1.900 1.121 ( 0.725 1.660 0.572) 1.900 1.208 ( 4.868 -3.287 1.091) 5.975 1.208 ( 4.868 3.287 1.091) 5.975 1.259 ( 2.414 -1.333 -1.966) 3.387 1.259 ( 2.414 1.333 -1.966) 3.387 1.395 ( 1.222 -3.385 -0.271) 3.609 1.395 ( 1.222 3.385 -0.271) 3.609 1.458 ( 2.061 -1.182 0.775) 2.499 1.458 ( 2.061 1.182 0.775) 2.499 1.600 ( -0.525 -1.807 1.033) 2.147 1.600 ( -0.525 1.807 1.033) 2.147 1.689 ( 0.356 -3.855 -2.592) 4.659 1.689 ( 0.356 3.855 -2.592) 4.659 1.878 ( -0.919 -2.168 3.066) 3.866 1.878 ( -0.919 2.168 3.066) 3.866 1.987 ( 2.097 -3.064 4.968) 6.202 1.987 ( 2.097 3.064 4.968) 6.202 2.240 ( 1.445 -2.103 6.110) 6.621 2.240 ( 1.445 2.103 6.110) 6.621 2.405 ( 1.821 -1.828 -6.364) 6.868 2.405 ( 1.821 1.828 -6.364) 6.868 2.580 ( 4.771 -1.453 4.612) 6.793 2.580 ( 4.771 1.453 4.612) 6.793 2.619 ( 3.967 -1.584 -6.364) 7.664 2.619 ( 3.967 1.584 -6.364) 7.664 2.746 ( 2.722 -2.249 2.548) 4.354 2.746 ( 2.722 2.249 2.548) 4.354 2.936 ( 2.302 -0.404 -4.721) 5.267 2.936 ( 2.302 0.404 -4.721) 5.267 4.071 ( 29.772 -5.567 1.572) 30.328 4.071 ( 29.772 5.567 1.572) 30.328 4.220 ( 19.808 -5.497 -5.297) 21.228 4.220 ( 19.808 5.497 -5.297) 21.228 4.715 ( 3.745 -3.704 0.044) 5.268 4.715 ( 3.745 3.704 0.044) 5.268 4.863 ( 8.492 -0.384 -3.125) 9.057 4.863 ( 8.492 0.384 -3.125) 9.057 5.120 ( -3.202 -8.035 7.952) 11.749 5.120 ( -3.202 8.035 7.952) 11.749 5.597 ( 4.799 -5.814 -5.089) 9.095 5.597 ( 4.799 5.814 -5.089) 9.095 5.692 ( -3.647 -5.660 2.949) 7.351 5.692 ( -3.647 5.660 2.949) 7.351 5.987 ( 5.290 -1.599 -1.876) 5.836 5.987 ( 5.290 1.599 -1.876) 5.836 6.454 ( 0.196 -2.369 6.246) 6.683 6.454 ( 0.196 2.369 6.246) 6.683 6.787 ( 0.291 -6.191 -5.544) 8.316 6.787 ( 0.291 6.191 -5.544) 8.316 6.942 ( -1.041 -0.365 -1.475) 1.842 6.942 ( -1.041 0.365 -1.475) 1.842 7.077 ( 5.289 -4.649 1.006) 7.114 7.077 ( 5.289 4.649 1.006) 7.114 7.590 ( 2.375 -2.721 -1.236) 3.818 7.590 ( 2.375 2.721 -1.236) 3.818 7.715 ( -0.662 -1.854 -0.891) 2.161 7.715 ( -0.662 1.854 -0.891) 2.161 8.319 ( -6.051 -1.926 5.912) 8.676 8.319 ( -6.051 1.926 5.912) 8.676 8.793 ( -0.792 -3.876 -0.492) 3.987 8.793 ( -0.792 3.876 -0.492) 3.987 9.198 ( 2.615 -1.324 -1.824) 3.452 9.198 ( 2.615 1.324 -1.824) 3.452 9.372 ( 7.418 -2.361 1.408) 7.911 9.372 ( 7.418 2.361 1.408) 7.911 ======================= Grid point 157 (90/96) ======================= q-point: ( 0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 4.226 -1.158 9.462) 10.427 0.818 ( 4.226 1.158 9.462) 10.427 0.988 ( 4.410 -0.560 4.428) 6.275 0.988 ( 4.410 0.560 4.428) 6.275 1.091 ( 1.574 -2.154 -1.661) 3.143 1.091 ( 1.574 2.154 -1.661) 3.143 1.220 ( 5.815 -1.265 0.390) 5.964 1.220 ( 5.815 1.265 0.390) 5.964 1.298 ( 2.456 -1.886 1.076) 3.278 1.298 ( 2.456 1.886 1.076) 3.278 1.317 ( 6.897 -2.361 -0.900) 7.345 1.317 ( 6.897 2.361 -0.900) 7.345 1.425 ( 1.586 -2.359 -0.211) 2.851 1.425 ( 1.586 2.359 -0.211) 2.851 1.557 ( 5.749 -4.036 1.372) 7.157 1.557 ( 5.749 4.036 1.372) 7.157 1.596 ( 1.455 -1.913 0.491) 2.453 1.596 ( 1.455 1.913 0.491) 2.453 1.710 ( 2.481 -2.570 -3.530) 5.022 1.710 ( 2.481 2.570 -3.530) 5.022 1.861 ( -0.324 -1.568 2.466) 2.940 1.861 ( -0.324 1.568 2.466) 2.940 2.060 ( 4.752 -2.034 4.312) 6.731 2.060 ( 4.752 2.034 4.312) 6.731 2.267 ( 1.598 -1.707 7.224) 7.593 2.267 ( 1.598 1.707 7.224) 7.593 2.439 ( 2.690 -2.534 -5.956) 7.009 2.439 ( 2.690 2.534 -5.956) 7.009 2.665 ( 4.083 -0.978 5.243) 6.717 2.665 ( 4.083 0.978 5.243) 6.717 2.729 ( 6.865 -1.409 -6.146) 9.321 2.729 ( 6.865 1.409 -6.146) 9.321 2.831 ( 5.711 -2.988 3.080) 7.143 2.831 ( 5.711 2.988 3.080) 7.143 2.993 ( 4.191 -0.955 -4.978) 6.576 2.993 ( 4.191 0.955 -4.978) 6.576 4.313 ( -1.290 -3.785 -4.775) 6.228 4.313 ( -1.290 3.785 -4.775) 6.228 4.498 ( 1.553 -3.110 -2.637) 4.363 4.498 ( 1.553 3.110 -2.637) 4.363 4.907 ( 2.719 -2.458 4.420) 5.742 4.907 ( 2.719 2.458 4.420) 5.742 5.197 ( 34.074 -1.489 2.175) 34.175 5.197 ( 34.074 1.489 2.175) 34.175 5.347 ( 24.021 -4.834 3.085) 24.696 5.347 ( 24.021 4.834 3.085) 24.696 5.572 ( 1.223 -1.729 -1.767) 2.758 5.572 ( 1.223 1.729 -1.767) 2.758 5.800 ( 10.759 -1.809 -1.411) 11.000 5.800 ( 10.759 1.809 -1.411) 11.000 6.078 ( 5.174 -1.266 -1.324) 5.489 6.078 ( 5.174 1.266 -1.324) 5.489 6.469 ( 1.362 -2.675 6.693) 7.336 6.469 ( 1.362 2.675 6.693) 7.336 6.799 ( 1.809 -5.952 -6.842) 9.248 6.799 ( 1.809 5.952 -6.842) 9.248 6.947 ( 1.315 -1.075 -0.741) 1.853 6.947 ( 1.315 1.075 -0.741) 1.853 7.170 ( 4.538 -3.896 1.607) 6.193 7.170 ( 4.538 3.896 1.607) 6.193 7.608 ( -0.748 -2.731 -1.336) 3.131 7.608 ( -0.748 2.731 -1.336) 3.131 7.728 ( 2.089 -2.585 -1.318) 3.576 7.728 ( 2.089 2.585 -1.318) 3.576 8.248 ( -1.286 -3.350 6.569) 7.485 8.248 ( -1.286 3.350 6.569) 7.485 8.727 ( -4.983 -4.135 0.360) 6.485 8.727 ( -4.983 4.135 0.360) 6.485 9.311 ( 7.860 -1.744 -1.664) 8.221 9.311 ( 7.860 1.744 -1.664) 8.221 9.517 ( 7.601 -2.070 1.321) 7.988 9.517 ( 7.601 2.070 1.321) 7.988 ======================= Grid point 159 (91/96) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 3.914 -1.397 7.572) 8.638 0.900 ( 3.914 1.397 7.572) 8.638 1.031 ( 0.254 -0.473 0.646) 0.839 1.031 ( 0.254 0.473 0.646) 0.839 1.105 ( 0.621 -1.894 1.936) 2.779 1.105 ( 0.621 1.894 1.936) 2.779 1.269 ( 0.927 -2.276 1.071) 2.681 1.269 ( 0.927 2.276 1.071) 2.681 1.307 ( 0.077 -2.234 0.858) 2.394 1.307 ( 0.077 2.234 0.858) 2.394 1.400 ( 0.929 -1.289 -0.138) 1.595 1.400 ( 0.929 1.289 -0.138) 1.595 1.493 ( 2.961 -1.622 -0.038) 3.376 1.493 ( 2.961 1.622 -0.038) 3.376 1.575 ( -0.172 -2.846 -0.774) 2.954 1.575 ( -0.172 2.846 -0.774) 2.954 1.643 ( 0.656 -0.435 1.407) 1.612 1.643 ( 0.656 0.435 1.407) 1.612 1.769 ( 2.464 -1.282 -2.239) 3.568 1.769 ( 2.464 1.282 -2.239) 3.568 1.912 ( 4.871 -1.745 -1.706) 5.448 1.912 ( 4.871 1.745 -1.706) 5.448 2.122 ( 1.382 -1.295 4.741) 5.106 2.122 ( 1.382 1.295 4.741) 5.106 2.336 ( 4.921 -0.536 6.498) 8.169 2.336 ( 4.921 0.536 6.498) 8.169 2.514 ( 5.066 -2.601 -4.660) 7.358 2.514 ( 5.066 2.601 -4.660) 7.358 2.743 ( 3.649 -0.375 6.703) 7.641 2.743 ( 3.649 0.375 6.703) 7.641 2.846 ( 5.632 -1.579 -7.116) 9.211 2.846 ( 5.632 1.579 -7.116) 9.211 2.947 ( 5.855 -3.875 4.281) 8.223 2.947 ( 5.855 3.875 4.281) 8.223 3.084 ( 5.182 -1.783 -5.527) 7.783 3.084 ( 5.182 1.783 -5.527) 7.783 4.224 ( -5.706 -4.954 -4.139) 8.616 4.224 ( -5.706 4.954 -4.139) 8.616 4.414 ( -6.840 -0.972 -1.704) 7.116 4.414 ( -6.840 0.972 -1.704) 7.116 4.967 ( 3.758 -3.847 5.904) 7.986 4.967 ( 3.758 3.847 5.904) 7.986 5.348 ( -3.633 -6.418 -4.404) 8.589 5.348 ( -3.633 6.418 -4.404) 8.589 5.712 ( 7.845 -3.424 4.112) 9.496 5.712 ( 7.845 3.424 4.112) 9.496 5.989 ( 15.172 -3.351 -1.877) 15.650 5.989 ( 15.172 3.351 -1.877) 15.650 6.011 ( 19.488 -1.970 2.321) 19.725 6.011 ( 19.488 1.970 2.321) 19.725 6.240 ( 11.250 -2.104 -3.195) 11.882 6.240 ( 11.250 2.104 -3.195) 11.882 6.541 ( 7.077 -1.143 7.127) 10.108 6.541 ( 7.077 1.143 7.127) 10.108 6.868 ( 6.029 -2.662 -5.837) 8.803 6.868 ( 6.029 2.662 -5.837) 8.803 6.987 ( 3.491 -1.219 -0.742) 3.772 6.987 ( 3.491 1.219 -0.742) 3.772 7.261 ( 5.291 -2.914 2.013) 6.367 7.261 ( 5.291 2.914 2.013) 6.367 7.581 ( -1.676 -2.176 -0.683) 2.830 7.581 ( -1.676 2.176 -0.683) 2.830 7.765 ( 1.434 -2.614 -1.581) 3.375 7.765 ( 1.434 2.614 -1.581) 3.375 8.275 ( 3.239 -3.768 5.135) 7.145 8.275 ( 3.239 3.768 5.135) 7.145 8.635 ( -4.408 -4.082 0.094) 6.009 8.635 ( -4.408 4.082 0.094) 6.009 9.449 ( 6.078 -0.485 -0.250) 6.102 9.449 ( 6.078 0.485 -0.250) 6.102 9.651 ( 6.164 -0.479 0.414) 6.196 9.651 ( 6.164 0.479 0.414) 6.196 ======================= Grid point 161 (92/96) ======================= q-point: ( 0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 2.427 -1.971 5.412) 6.250 0.966 ( 2.427 1.971 5.412) 6.250 1.013 ( -1.434 -1.286 0.627) 2.025 1.013 ( -1.434 1.286 0.627) 2.025 1.116 ( 0.069 -0.710 2.061) 2.180 1.116 ( 0.069 0.710 2.061) 2.180 1.272 ( -0.072 -1.166 1.083) 1.593 1.272 ( -0.072 1.166 1.083) 1.593 1.325 ( 1.502 -1.869 2.109) 3.193 1.325 ( 1.502 1.869 2.109) 3.193 1.413 ( 0.699 -1.649 -0.683) 1.917 1.413 ( 0.699 1.649 -0.683) 1.917 1.497 ( -1.144 -1.890 0.024) 2.209 1.497 ( -1.144 1.890 0.024) 2.209 1.557 ( -1.371 -2.982 -1.205) 3.496 1.557 ( -1.371 2.982 -1.205) 3.496 1.662 ( 1.137 -0.571 -0.275) 1.302 1.662 ( 1.137 0.571 -0.275) 1.302 1.802 ( 1.212 -1.645 -1.019) 2.284 1.802 ( 1.212 1.645 -1.019) 2.284 1.957 ( -0.523 -1.612 -0.440) 1.751 1.957 ( -0.523 1.612 -0.440) 1.751 2.155 ( 2.251 -1.539 1.784) 3.259 2.155 ( 2.251 1.539 1.784) 3.259 2.415 ( 2.374 -0.656 5.033) 5.603 2.415 ( 2.374 0.656 5.033) 5.603 2.588 ( 2.085 -2.225 -2.523) 3.957 2.588 ( 2.085 2.225 -2.523) 3.957 2.796 ( 1.207 -0.562 6.373) 6.510 2.796 ( 1.207 0.562 6.373) 6.510 2.927 ( 3.015 -2.331 -7.202) 8.148 2.927 ( 3.015 2.331 -7.202) 8.148 3.036 ( 2.794 -4.535 5.103) 7.377 3.036 ( 2.794 4.535 5.103) 7.377 3.158 ( 2.424 -2.143 -6.318) 7.098 3.158 ( 2.424 2.143 -6.318) 7.098 4.136 ( -2.711 -3.942 -3.046) 5.672 4.136 ( -2.711 3.942 -3.046) 5.672 4.306 ( -3.461 -0.325 -1.125) 3.653 4.306 ( -3.461 0.325 -1.125) 3.653 5.043 ( 3.563 -3.253 6.008) 7.706 5.043 ( 3.563 3.253 6.008) 7.706 5.273 ( -3.261 -6.498 -6.865) 10.000 5.273 ( -3.261 6.498 -6.865) 10.000 5.806 ( 2.857 -4.368 3.376) 6.217 5.806 ( 2.857 4.368 3.376) 6.217 6.043 ( 0.493 -4.791 -2.517) 5.434 6.043 ( 0.493 4.791 -2.517) 5.434 6.282 ( 3.384 -2.982 5.562) 7.161 6.282 ( 3.384 2.982 5.562) 7.161 6.390 ( 4.345 -2.879 -2.674) 5.859 6.390 ( 4.345 2.879 -2.674) 5.859 6.695 ( 5.537 -1.431 3.445) 6.676 6.695 ( 5.537 1.431 3.445) 6.676 6.949 ( 1.549 -1.240 -1.402) 2.429 6.949 ( 1.549 1.240 -1.402) 2.429 7.108 ( 6.840 -0.815 -2.885) 7.468 7.108 ( 6.840 0.815 -2.885) 7.468 7.365 ( 4.369 -1.504 2.329) 5.174 7.365 ( 4.369 1.504 2.329) 5.174 7.546 ( -1.834 -1.696 -0.958) 2.676 7.546 ( -1.834 1.696 -0.958) 2.676 7.778 ( 0.087 -2.258 -0.760) 2.384 7.778 ( 0.087 2.258 -0.760) 2.384 8.349 ( 3.653 -2.542 2.921) 5.324 8.349 ( 3.653 2.542 2.921) 5.324 8.568 ( -2.435 -2.957 -0.387) 3.851 8.568 ( -2.435 2.957 -0.387) 3.851 9.527 ( 1.908 -0.918 1.111) 2.391 9.527 ( 1.908 0.918 1.111) 2.391 9.738 ( 2.757 -0.891 -0.774) 2.999 9.738 ( 2.757 0.891 -0.774) 2.999 ======================= Grid point 163 (93/96) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -1.101 -1.168 2.456) 2.934 0.983 ( -1.101 1.168 2.456) 2.934 0.998 ( -0.085 -0.407 3.161) 3.188 0.998 ( -0.085 0.407 3.161) 3.188 1.116 ( 0.273 -0.416 2.321) 2.374 1.116 ( 0.273 0.416 2.321) 2.374 1.274 ( -0.014 -0.661 0.813) 1.047 1.274 ( -0.014 0.661 0.813) 1.047 1.342 ( -0.266 -1.521 0.243) 1.563 1.342 ( -0.266 1.521 0.243) 1.563 1.430 ( 1.326 -2.204 -1.057) 2.781 1.430 ( 1.326 2.204 -1.057) 2.781 1.480 ( -0.532 -2.959 0.442) 3.039 1.480 ( -0.532 2.959 0.442) 3.039 1.550 ( 0.872 -3.152 -0.251) 3.280 1.550 ( 0.872 3.152 -0.251) 3.280 1.669 ( -0.468 -1.237 -1.251) 1.820 1.669 ( -0.468 1.237 -1.251) 1.820 1.806 ( -1.132 -0.437 -1.256) 1.746 1.806 ( -1.132 0.437 -1.256) 1.746 1.925 ( -1.999 -2.244 2.358) 3.820 1.925 ( -1.999 2.244 2.358) 3.820 2.191 ( 1.040 -2.419 -1.373) 2.969 2.191 ( 1.040 2.419 -1.373) 2.969 2.418 ( -2.328 -0.996 4.821) 5.445 2.418 ( -2.328 0.996 4.821) 5.445 2.575 ( -3.419 -2.066 -1.046) 4.129 2.575 ( -3.419 2.066 -1.046) 4.129 2.783 ( -3.011 -0.710 5.948) 6.704 2.783 ( -3.011 0.710 5.948) 6.704 2.945 ( -0.796 -2.973 -7.275) 7.899 2.945 ( -0.796 2.973 -7.275) 7.899 3.044 ( -2.262 -4.394 4.357) 6.588 3.044 ( -2.262 4.394 4.357) 6.588 3.158 ( -2.023 -2.026 -6.498) 7.101 3.158 ( -2.023 2.026 -6.498) 7.101 4.129 ( 2.071 -1.975 -2.447) 3.765 4.129 ( 2.071 1.975 -2.447) 3.765 4.303 ( 3.098 -1.169 -0.839) 3.416 4.303 ( 3.098 1.169 -0.839) 3.416 5.090 ( 0.445 -4.507 4.338) 6.271 5.090 ( 0.445 4.507 4.338) 6.271 5.240 ( 0.947 -3.343 -6.506) 7.375 5.240 ( 0.947 3.343 -6.506) 7.375 5.835 ( -0.004 -3.905 0.882) 4.003 5.835 ( -0.004 3.905 0.882) 4.003 6.033 ( -1.411 -2.095 -1.649) 3.017 6.033 ( -1.411 2.095 -1.649) 3.017 6.271 ( -4.582 -3.558 6.392) 8.632 6.271 ( -4.582 3.558 6.392) 8.632 6.386 ( -4.705 -1.492 -2.022) 5.334 6.386 ( -4.705 1.492 -2.022) 5.334 6.687 ( -7.020 -0.841 3.662) 7.962 6.687 ( -7.020 0.841 3.662) 7.962 6.952 ( -0.886 -1.532 -0.843) 1.960 6.952 ( -0.886 1.532 -0.843) 1.960 7.112 ( -6.695 -1.138 -3.581) 7.677 7.112 ( -6.695 1.138 -3.581) 7.677 7.371 ( -3.901 -0.391 1.723) 4.283 7.371 ( -3.901 0.391 1.723) 4.283 7.535 ( 0.929 -1.410 0.019) 1.689 7.535 ( 0.929 1.410 0.019) 1.689 7.773 ( -0.491 -2.244 -0.186) 2.305 7.773 ( -0.491 2.244 -0.186) 2.305 8.387 ( -0.177 -1.697 -0.787) 1.879 8.387 ( -0.177 1.697 -0.787) 1.879 8.558 ( 1.747 -1.165 0.583) 2.180 8.558 ( 1.747 1.165 0.583) 2.180 9.518 ( -2.894 -1.883 1.837) 3.911 9.518 ( -2.894 1.883 1.837) 3.911 9.749 ( -1.557 -1.518 -1.729) 2.778 9.749 ( -1.557 1.518 -1.729) 2.778 ======================= Grid point 165 (94/96) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -3.008 -1.009 2.733) 4.188 0.945 ( -3.008 1.009 2.733) 4.188 0.994 ( -0.637 -1.210 4.058) 4.282 0.994 ( -0.637 1.210 4.058) 4.282 1.132 ( 0.903 -0.637 0.839) 1.387 1.132 ( 0.903 0.637 0.839) 1.387 1.255 ( -2.307 -1.560 1.059) 2.980 1.255 ( -2.307 1.560 1.059) 2.980 1.334 ( -0.116 -2.792 -1.841) 3.346 1.334 ( -0.116 2.792 -1.841) 3.346 1.441 ( -0.644 -1.720 -2.951) 3.476 1.441 ( -0.644 1.720 -2.951) 3.476 1.474 ( -1.476 -4.036 1.857) 4.682 1.474 ( -1.476 4.036 1.857) 4.682 1.556 ( -1.021 -3.085 0.937) 3.382 1.556 ( -1.021 3.085 0.937) 3.382 1.657 ( 0.038 -0.916 -0.389) 0.996 1.657 ( 0.038 0.916 -0.389) 0.996 1.749 ( -4.895 -0.786 -0.537) 4.987 1.749 ( -4.895 0.786 -0.537) 4.987 1.898 ( -0.945 -1.427 -0.064) 1.712 1.898 ( -0.945 1.427 -0.064) 1.712 2.178 ( -2.751 -3.009 -0.649) 4.128 2.178 ( -2.751 3.009 -0.649) 4.128 2.347 ( -4.779 -1.544 6.038) 7.854 2.347 ( -4.779 1.544 6.038) 7.854 2.476 ( -5.828 -2.376 -1.027) 6.377 2.476 ( -5.828 2.376 -1.027) 6.377 2.700 ( -5.631 -1.312 5.666) 8.095 2.700 ( -5.631 1.312 5.666) 8.095 2.892 ( -4.307 -3.174 -6.173) 8.169 2.892 ( -4.307 3.174 -6.173) 8.169 2.971 ( -4.889 -3.394 1.360) 6.105 2.971 ( -4.889 3.394 1.360) 6.105 3.085 ( -4.881 -1.687 -5.983) 7.903 3.085 ( -4.881 1.687 -5.983) 7.903 4.200 ( 4.978 -0.660 -2.030) 5.416 4.200 ( 4.978 0.660 -2.030) 5.416 4.401 ( 6.230 -2.406 -0.614) 6.706 4.401 ( 6.230 2.406 -0.614) 6.706 5.065 ( -2.451 -7.770 -1.549) 8.293 5.065 ( -2.451 7.770 -1.549) 8.293 5.297 ( 4.217 -3.317 -1.371) 5.538 5.297 ( 4.217 3.317 -1.371) 5.538 5.789 ( -6.451 -0.373 -3.290) 7.251 5.789 ( -6.451 0.373 -3.290) 7.251 5.959 ( -10.102 -3.019 0.032) 10.544 5.959 ( -10.102 3.019 0.032) 10.544 6.058 ( -21.147 -0.969 -0.346) 21.172 6.058 ( -21.147 0.969 -0.346) 21.172 6.161 ( -15.961 -2.538 3.936) 16.633 6.161 ( -15.961 2.538 3.936) 16.633 6.516 ( -6.835 -4.280 8.239) 11.529 6.516 ( -6.835 4.280 8.239) 11.529 6.884 ( -6.938 -2.191 -6.422) 9.705 6.884 ( -6.938 2.191 -6.422) 9.705 6.974 ( -3.635 -2.103 0.756) 4.267 6.974 ( -3.635 2.103 0.756) 4.267 7.272 ( -5.377 -0.443 0.650) 5.435 7.272 ( -5.377 0.443 0.650) 5.435 7.560 ( 1.164 -1.767 1.460) 2.570 7.560 ( 1.164 1.767 1.460) 2.570 7.756 ( -1.248 -2.204 -0.382) 2.561 7.756 ( -1.248 2.204 -0.382) 2.561 8.363 ( -1.260 -3.640 -3.915) 5.492 8.363 ( -1.260 3.640 -3.915) 5.492 8.624 ( 4.659 -2.694 1.235) 5.522 8.624 ( 4.659 2.694 1.235) 5.522 9.424 ( -6.919 -2.563 2.016) 7.649 9.424 ( -6.919 2.563 2.016) 7.649 9.681 ( -5.285 -1.859 -2.349) 6.075 9.681 ( -5.285 1.859 -2.349) 6.075 ======================= Grid point 167 (95/96) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -4.890 -1.194 4.025) 6.445 0.874 ( -4.890 1.194 4.025) 6.445 0.976 ( -1.736 -1.761 5.054) 5.627 0.976 ( -1.736 1.761 5.054) 5.627 1.111 ( -5.465 -2.336 -2.206) 6.339 1.111 ( -5.465 2.336 -2.206) 6.339 1.200 ( -3.099 -1.486 1.780) 3.871 1.200 ( -3.099 1.486 1.780) 3.871 1.315 ( -3.830 -2.199 -2.112) 4.895 1.315 ( -3.830 2.199 -2.112) 4.895 1.338 ( -7.497 -3.621 -1.343) 8.433 1.338 ( -7.497 3.621 -1.343) 8.433 1.432 ( -1.645 -1.242 -0.919) 2.257 1.432 ( -1.645 1.242 -0.919) 2.257 1.559 ( 0.323 -6.194 2.358) 6.636 1.559 ( 0.323 6.194 2.358) 6.636 1.605 ( -7.621 -0.770 -0.781) 7.700 1.605 ( -7.621 0.770 -0.781) 7.700 1.671 ( -0.188 -1.138 -0.941) 1.489 1.671 ( -0.188 1.138 -0.941) 1.489 1.892 ( 0.352 -1.006 -0.578) 1.213 1.892 ( 0.352 1.006 -0.578) 1.213 2.092 ( -5.373 -3.708 1.461) 6.690 2.092 ( -5.373 3.708 1.461) 6.690 2.275 ( -2.779 -2.051 7.288) 8.065 2.275 ( -2.779 2.051 7.288) 8.065 2.396 ( -2.350 -2.736 -1.587) 3.940 2.396 ( -2.350 2.736 -1.587) 3.940 2.591 ( -5.737 -2.002 4.382) 7.492 2.591 ( -5.737 2.002 4.382) 7.492 2.786 ( -6.041 -2.914 -3.589) 7.607 2.786 ( -6.041 2.914 -3.589) 7.607 2.876 ( -5.217 -2.111 -1.921) 5.947 2.876 ( -5.217 2.111 -1.921) 5.947 2.993 ( -3.921 -1.038 -5.540) 6.867 2.993 ( -3.921 1.038 -5.540) 6.867 4.280 ( 2.102 -0.476 -1.689) 2.738 4.280 ( 2.102 0.476 -1.689) 2.738 4.470 ( -2.499 -2.162 -0.246) 3.314 4.470 ( -2.499 2.162 -0.246) 3.314 4.987 ( -8.464 -4.727 -2.688) 10.060 4.987 ( -8.464 4.727 -2.688) 10.060 5.246 ( -23.978 -2.710 -2.605) 24.271 5.246 ( -23.978 2.710 -2.605) 24.271 5.397 ( -26.017 -5.275 -2.014) 26.623 5.397 ( -26.017 5.275 -2.014) 26.623 5.541 ( -8.720 -0.711 0.213) 8.752 5.541 ( -8.720 0.711 0.213) 8.752 5.809 ( -5.751 -3.652 -1.545) 6.985 5.809 ( -5.751 3.652 -1.545) 6.985 6.024 ( -3.914 -2.397 4.501) 6.428 6.024 ( -3.914 2.397 4.501) 6.428 6.454 ( -1.453 -5.244 8.117) 9.772 6.454 ( -1.453 5.244 8.117) 9.772 6.782 ( -2.646 -4.764 -6.226) 8.274 6.782 ( -2.646 4.764 -6.226) 8.274 6.936 ( -1.289 -2.743 1.378) 3.329 6.936 ( -1.289 2.743 1.378) 3.329 7.178 ( -4.762 -1.117 0.326) 4.902 7.178 ( -4.762 1.117 0.326) 4.902 7.571 ( -0.294 -1.977 2.362) 3.094 7.571 ( -0.294 1.977 2.362) 3.094 7.735 ( -0.635 -2.423 -1.488) 2.914 7.735 ( -0.635 2.423 -1.488) 2.914 8.360 ( 1.473 -2.830 -4.990) 5.923 8.360 ( 1.473 2.830 -4.990) 5.923 8.719 ( 4.761 -2.915 1.294) 5.730 8.719 ( 4.761 2.915 1.294) 5.730 9.276 ( -8.078 -2.594 1.752) 8.663 9.276 ( -8.078 2.594 1.752) 8.663 9.556 ( -7.524 -2.083 -2.425) 8.175 9.556 ( -7.524 2.083 -2.425) 8.175 ======================= Grid point 169 (96/96) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 8.58e-05 8.58e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -18.659 -2.341 2.754) 19.006 0.689 ( -18.659 2.341 2.754) 19.006 0.896 ( -6.792 -1.844 7.013) 9.935 0.896 ( -6.792 1.844 7.013) 9.935 0.952 ( -4.411 -2.892 0.596) 5.308 0.952 ( -4.411 2.892 0.596) 5.308 1.141 ( -2.805 -0.531 -0.224) 2.863 1.141 ( -2.805 0.531 -0.224) 2.863 1.229 ( -2.743 -1.506 -0.668) 3.200 1.229 ( -2.743 1.506 -0.668) 3.200 1.248 ( -3.967 -2.194 -1.735) 4.854 1.248 ( -3.967 2.194 -1.735) 4.854 1.398 ( -1.104 -2.704 -0.734) 3.012 1.398 ( -1.104 2.704 -0.734) 3.012 1.476 ( -3.387 -2.217 -1.016) 4.173 1.476 ( -3.387 2.217 -1.016) 4.173 1.592 ( 0.960 -7.043 2.314) 7.476 1.592 ( 0.960 7.043 2.314) 7.476 1.674 ( 0.616 -0.351 -1.995) 2.117 1.674 ( 0.616 0.351 -1.995) 2.117 1.899 ( 0.043 -1.872 1.354) 2.311 1.899 ( 0.043 1.872 1.354) 2.311 2.011 ( -3.149 -3.450 2.453) 5.276 2.011 ( -3.149 3.450 2.453) 5.276 2.238 ( -1.971 -2.037 7.069) 7.616 2.238 ( -1.971 2.037 7.069) 7.616 2.371 ( -0.544 -1.793 -2.659) 3.253 2.371 ( -0.544 1.793 -2.659) 3.253 2.504 ( -2.979 -2.432 3.288) 5.060 2.504 ( -2.979 2.432 3.288) 5.060 2.677 ( -5.011 -2.534 -3.785) 6.772 2.677 ( -5.011 2.534 -3.785) 6.772 2.780 ( -4.237 -1.336 -1.044) 4.564 2.780 ( -4.237 1.336 -1.044) 4.564 2.936 ( -1.988 -1.031 -5.164) 5.629 2.936 ( -1.988 1.031 -5.164) 5.629 4.083 ( -31.598 -2.937 1.490) 31.769 4.083 ( -31.598 2.937 1.490) 31.769 4.186 ( -14.410 -2.138 -3.374) 14.953 4.186 ( -14.410 2.138 -3.374) 14.953 4.743 ( -6.750 -0.540 -2.489) 7.214 4.743 ( -6.750 0.540 -2.489) 7.214 4.851 ( -9.390 -4.887 -1.996) 10.772 4.851 ( -9.390 4.887 -1.996) 10.772 5.212 ( 0.937 -10.138 0.464) 10.192 5.212 ( 0.937 10.138 0.464) 10.192 5.525 ( -1.653 -2.799 -0.547) 3.297 5.525 ( -1.653 2.799 -0.547) 3.297 5.762 ( 2.037 -4.440 -2.815) 5.638 5.762 ( 2.037 4.440 -2.815) 5.638 5.942 ( -5.188 -2.953 2.727) 6.563 5.942 ( -5.188 2.953 2.727) 6.563 6.446 ( -0.081 -4.597 7.268) 8.600 6.446 ( -0.081 4.597 7.268) 8.600 6.765 ( 0.652 -4.307 -4.743) 6.440 6.765 ( 0.652 4.307 -4.743) 6.440 6.929 ( 0.852 -3.226 1.093) 3.511 6.929 ( 0.852 3.226 1.093) 3.511 7.085 ( -5.125 -1.940 -0.401) 5.494 7.085 ( -5.125 1.940 -0.401) 5.494 7.556 ( -0.986 -1.709 2.336) 3.058 7.556 ( -0.986 1.709 2.336) 3.058 7.732 ( 0.213 -2.342 -2.290) 3.283 7.732 ( 0.213 2.342 -2.290) 3.283 8.410 ( 3.297 -1.306 -3.424) 4.930 8.410 ( 3.297 1.306 -3.424) 4.930 8.775 ( 0.242 -3.054 1.234) 3.303 8.775 ( 0.242 3.054 1.234) 3.303 9.167 ( -1.890 -1.470 1.248) 2.700 9.167 ( -1.890 1.470 1.248) 2.700 9.405 ( -7.999 -1.882 -1.868) 8.428 9.405 ( -7.999 1.882 -1.868) 8.428 =================== 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 3/18144 10.0 18.129 7.484 11.410 0.000 -2.366 0.000 3/18144 20.0 8.005 3.029 4.491 0.000 -0.683 0.000 3/18144 30.0 5.086 1.918 2.848 0.000 -0.395 0.000 3/18144 40.0 3.767 1.413 2.127 0.000 -0.284 0.000 3/18144 50.0 3.010 1.119 1.705 0.000 -0.222 0.000 3/18144 60.0 2.516 0.926 1.425 0.000 -0.182 0.000 3/18144 70.0 2.167 0.790 1.225 0.000 -0.154 0.000 3/18144 80.0 1.908 0.689 1.076 0.000 -0.134 0.000 3/18144 90.0 1.706 0.611 0.960 0.000 -0.119 0.000 3/18144 100.0 1.546 0.550 0.867 0.000 -0.107 0.000 3/18144 110.0 1.414 0.500 0.792 0.000 -0.097 0.000 3/18144 120.0 1.303 0.459 0.728 0.000 -0.089 0.000 3/18144 130.0 1.209 0.424 0.675 0.000 -0.083 0.000 3/18144 140.0 1.129 0.394 0.629 0.000 -0.077 0.000 3/18144 150.0 1.058 0.368 0.589 0.000 -0.072 0.000 3/18144 160.0 0.996 0.346 0.553 0.000 -0.068 0.000 3/18144 170.0 0.940 0.326 0.522 0.000 -0.064 0.000 3/18144 180.0 0.891 0.308 0.494 0.000 -0.061 0.000 3/18144 190.0 0.847 0.292 0.469 0.000 -0.058 0.000 3/18144 200.0 0.806 0.278 0.446 0.000 -0.055 0.000 3/18144 210.0 0.770 0.265 0.426 0.000 -0.052 0.000 3/18144 220.0 0.736 0.253 0.407 0.000 -0.050 0.000 3/18144 230.0 0.706 0.242 0.390 0.000 -0.048 0.000 3/18144 240.0 0.677 0.232 0.374 0.000 -0.046 0.000 3/18144 250.0 0.651 0.223 0.360 0.000 -0.044 0.000 3/18144 260.0 0.627 0.214 0.346 0.000 -0.043 0.000 3/18144 270.0 0.605 0.207 0.334 0.000 -0.041 0.000 3/18144 280.0 0.584 0.199 0.322 0.000 -0.040 0.000 3/18144 290.0 0.564 0.193 0.311 0.000 -0.038 0.000 3/18144 300.0 0.546 0.186 0.301 0.000 -0.037 0.000 3/18144 310.0 0.529 0.180 0.291 0.000 -0.036 0.000 3/18144 320.0 0.513 0.175 0.282 0.000 -0.035 0.000 3/18144 330.0 0.498 0.169 0.274 0.000 -0.034 0.000 3/18144 340.0 0.483 0.165 0.266 0.000 -0.033 0.000 3/18144 350.0 0.470 0.160 0.259 0.000 -0.032 0.000 3/18144 360.0 0.457 0.155 0.252 0.000 -0.031 0.000 3/18144 370.0 0.445 0.151 0.245 0.000 -0.030 0.000 3/18144 380.0 0.434 0.147 0.239 0.000 -0.030 0.000 3/18144 390.0 0.423 0.144 0.232 0.000 -0.029 0.000 3/18144 400.0 0.412 0.140 0.227 0.000 -0.028 0.000 3/18144 410.0 0.402 0.137 0.221 0.000 -0.027 0.000 3/18144 420.0 0.393 0.133 0.216 0.000 -0.027 0.000 3/18144 430.0 0.384 0.130 0.211 0.000 -0.026 0.000 3/18144 440.0 0.375 0.127 0.206 0.000 -0.026 0.000 3/18144 450.0 0.367 0.125 0.202 0.000 -0.025 0.000 3/18144 460.0 0.359 0.122 0.197 0.000 -0.024 0.000 3/18144 470.0 0.352 0.119 0.193 0.000 -0.024 0.000 3/18144 480.0 0.345 0.117 0.189 0.000 -0.023 0.000 3/18144 490.0 0.338 0.115 0.186 0.000 -0.023 0.000 3/18144 500.0 0.331 0.112 0.182 0.000 -0.023 0.000 3/18144 510.0 0.325 0.110 0.178 0.000 -0.022 0.000 3/18144 520.0 0.318 0.108 0.175 0.000 -0.022 0.000 3/18144 530.0 0.313 0.106 0.172 0.000 -0.021 0.000 3/18144 540.0 0.307 0.104 0.168 0.000 -0.021 0.000 3/18144 550.0 0.301 0.102 0.165 0.000 -0.021 0.000 3/18144 560.0 0.296 0.100 0.163 0.000 -0.020 0.000 3/18144 570.0 0.291 0.099 0.160 0.000 -0.020 0.000 3/18144 580.0 0.286 0.097 0.157 0.000 -0.019 0.000 3/18144 590.0 0.281 0.095 0.154 0.000 -0.019 0.000 3/18144 600.0 0.276 0.094 0.152 0.000 -0.019 0.000 3/18144 610.0 0.272 0.092 0.149 0.000 -0.019 0.000 3/18144 620.0 0.268 0.091 0.147 0.000 -0.018 0.000 3/18144 630.0 0.263 0.089 0.145 0.000 -0.018 0.000 3/18144 640.0 0.259 0.088 0.142 0.000 -0.018 0.000 3/18144 650.0 0.255 0.086 0.140 0.000 -0.017 0.000 3/18144 660.0 0.252 0.085 0.138 0.000 -0.017 0.000 3/18144 670.0 0.248 0.084 0.136 0.000 -0.017 0.000 3/18144 680.0 0.244 0.083 0.134 0.000 -0.017 0.000 3/18144 690.0 0.241 0.081 0.132 0.000 -0.016 0.000 3/18144 700.0 0.237 0.080 0.130 0.000 -0.016 0.000 3/18144 710.0 0.234 0.079 0.128 0.000 -0.016 0.000 3/18144 720.0 0.231 0.078 0.127 0.000 -0.016 0.000 3/18144 730.0 0.228 0.077 0.125 0.000 -0.016 0.000 3/18144 740.0 0.225 0.076 0.123 0.000 -0.015 0.000 3/18144 750.0 0.222 0.075 0.122 0.000 -0.015 0.000 3/18144 760.0 0.219 0.074 0.120 0.000 -0.015 0.000 3/18144 770.0 0.216 0.073 0.118 0.000 -0.015 0.000 3/18144 780.0 0.213 0.072 0.117 0.000 -0.015 0.000 3/18144 790.0 0.210 0.071 0.115 0.000 -0.014 0.000 3/18144 800.0 0.208 0.070 0.114 0.000 -0.014 0.000 3/18144 810.0 0.205 0.069 0.113 0.000 -0.014 0.000 3/18144 820.0 0.203 0.069 0.111 0.000 -0.014 0.000 3/18144 830.0 0.200 0.068 0.110 0.000 -0.014 0.000 3/18144 840.0 0.198 0.067 0.109 0.000 -0.013 0.000 3/18144 850.0 0.196 0.066 0.107 0.000 -0.013 0.000 3/18144 860.0 0.193 0.065 0.106 0.000 -0.013 0.000 3/18144 870.0 0.191 0.065 0.105 0.000 -0.013 0.000 3/18144 880.0 0.189 0.064 0.104 0.000 -0.013 0.000 3/18144 890.0 0.187 0.063 0.103 0.000 -0.013 0.000 3/18144 900.0 0.185 0.063 0.101 0.000 -0.013 0.000 3/18144 910.0 0.183 0.062 0.100 0.000 -0.012 0.000 3/18144 920.0 0.181 0.061 0.099 0.000 -0.012 0.000 3/18144 930.0 0.179 0.060 0.098 0.000 -0.012 0.000 3/18144 940.0 0.177 0.060 0.097 0.000 -0.012 0.000 3/18144 950.0 0.175 0.059 0.096 0.000 -0.012 0.000 3/18144 960.0 0.173 0.059 0.095 0.000 -0.012 0.000 3/18144 970.0 0.172 0.058 0.094 0.000 -0.012 0.000 3/18144 980.0 0.170 0.057 0.093 0.000 -0.012 0.000 3/18144 990.0 0.168 0.057 0.092 0.000 -0.011 0.000 3/18144 1000.0 0.166 0.056 0.091 0.000 -0.011 0.000 3/18144 Thermal conductivity related properties were written into "kappa-m947.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:34:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|