----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:26:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.828061510160168 0.000000000000000 0.000000000000000 b 0.000000000000000 6.449625110000000 0.000000000000000 c -0.709658108234997 0.000000000000000 8.717254698588626 Atomic positions (fractional): *1 Pr 0.84816777986745 0.30533217787252 0.33563889339824 140.908 2 Pr 0.15183222013255 0.80533217787252 0.16436110660176 140.908 3 Pr 0.15183222013255 0.69466782212748 0.66436110660175 140.908 4 Pr 0.84816777986745 0.19466782212748 0.83563889339825 140.908 *5 Pr 0.60392957186123 0.84963087253291 0.19331603027362 140.908 6 Pr 0.39607042813877 0.34963087253291 0.30668396972638 140.908 7 Pr 0.39607042813877 0.15036912746709 0.80668396972638 140.908 8 Pr 0.60392957186123 0.65036912746709 0.69331603027362 140.908 *9 Te 0.90476647418423 0.78920606860440 0.38531251995168 127.600 10 Te 0.09523352581577 0.28920606860440 0.11468748004832 127.600 11 Te 0.09523352581577 0.21079393139560 0.61468748004832 127.600 12 Te 0.90476647418423 0.71079393139560 0.88531251995168 127.600 *13 Si 0.62576225166330 0.30957787321504 0.05769579288377 28.085 14 Si 0.37423774833670 0.80957787321504 0.44230420711623 28.085 15 Si 0.37423774833670 0.69042212678496 0.94230420711623 28.085 16 Si 0.62576225166330 0.19042212678496 0.55769579288377 28.085 *17 O 0.51923129276021 0.69052851985592 0.42100903480815 15.999 18 O 0.48076870723979 0.19052851985592 0.07899096519185 15.999 19 O 0.48076870723979 0.30947148014408 0.57899096519185 15.999 20 O 0.51923129276021 0.80947148014408 0.92100903480815 15.999 *21 O 0.62529611335537 0.13373598807150 0.37594621285637 15.999 22 O 0.37470388664463 0.63373598807150 0.12405378714363 15.999 23 O 0.37470388664463 0.86626401192850 0.62405378714363 15.999 24 O 0.62529611335537 0.36626401192850 0.87594621285637 15.999 *25 O 0.65364319436266 0.48896465833750 0.18643715529887 15.999 26 O 0.34635680563734 0.98896465833750 0.31356284470113 15.999 27 O 0.34635680563734 0.51103534166250 0.81356284470113 15.999 28 O 0.65364319436266 0.01103534166250 0.68643715529887 15.999 *29 O 0.75100150271143 0.14072837426061 0.09134847895994 15.999 30 O 0.24899849728857 0.64072837426061 0.40865152104006 15.999 31 O 0.24899849728857 0.85927162573939 0.90865152104006 15.999 32 O 0.75100150271143 0.35927162573939 0.59134847895994 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.828061510160168 0.000000000000000 0.000000000000000 b 0.000000000000000 6.449625110000000 0.000000000000000 c -0.709658108234997 0.000000000000000 8.717254698588626 Atomic positions (fractional): *1 Pr 0.84816777986745 0.30533217787252 0.33563889339824 140.908 > 1 2 Pr 0.15183222013255 0.80533217787252 0.16436110660176 140.908 > 2 3 Pr 0.15183222013255 0.69466782212748 0.66436110660175 140.908 > 3 4 Pr 0.84816777986745 0.19466782212748 0.83563889339825 140.908 > 4 *5 Pr 0.60392957186123 0.84963087253291 0.19331603027362 140.908 > 5 6 Pr 0.39607042813877 0.34963087253291 0.30668396972638 140.908 > 6 7 Pr 0.39607042813877 0.15036912746709 0.80668396972638 140.908 > 7 8 Pr 0.60392957186123 0.65036912746709 0.69331603027362 140.908 > 8 *9 Te 0.90476647418423 0.78920606860440 0.38531251995168 127.600 > 9 10 Te 0.09523352581577 0.28920606860440 0.11468748004832 127.600 > 10 11 Te 0.09523352581577 0.21079393139560 0.61468748004832 127.600 > 11 12 Te 0.90476647418423 0.71079393139560 0.88531251995168 127.600 > 12 *13 Si 0.62576225166330 0.30957787321504 0.05769579288377 28.085 > 13 14 Si 0.37423774833670 0.80957787321504 0.44230420711623 28.085 > 14 15 Si 0.37423774833670 0.69042212678496 0.94230420711623 28.085 > 15 16 Si 0.62576225166330 0.19042212678496 0.55769579288377 28.085 > 16 *17 O 0.51923129276021 0.69052851985592 0.42100903480815 15.999 > 17 18 O 0.48076870723979 0.19052851985592 0.07899096519185 15.999 > 18 19 O 0.48076870723979 0.30947148014408 0.57899096519185 15.999 > 19 20 O 0.51923129276021 0.80947148014408 0.92100903480815 15.999 > 20 *21 O 0.62529611335537 0.13373598807150 0.37594621285637 15.999 > 21 22 O 0.37470388664463 0.63373598807150 0.12405378714363 15.999 > 22 23 O 0.37470388664463 0.86626401192850 0.62405378714363 15.999 > 23 24 O 0.62529611335537 0.36626401192850 0.87594621285637 15.999 > 24 *25 O 0.65364319436266 0.48896465833750 0.18643715529887 15.999 > 25 26 O 0.34635680563734 0.98896465833750 0.31356284470113 15.999 > 26 27 O 0.34635680563734 0.51103534166250 0.81356284470113 15.999 > 27 28 O 0.65364319436266 0.01103534166250 0.68643715529887 15.999 > 28 *29 O 0.75100150271143 0.14072837426061 0.09134847895994 15.999 > 29 30 O 0.24899849728857 0.64072837426061 0.40865152104006 15.999 > 30 31 O 0.24899849728857 0.85927162573939 0.90865152104006 15.999 > 31 32 O 0.75100150271143 0.35927162573939 0.59134847895994 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.828061510160168 0.000000000000000 0.000000000000000 b 0.000000000000000 12.899250220000001 0.000000000000000 c -1.419316216469994 0.000000000000000 17.434509397177251 Atomic positions (fractional): *1 Pr 0.84816777986745 0.15266608893626 0.16781944669912 140.908 > 1 2 Pr 0.84816777986745 0.65266608893626 0.16781944669912 140.908 > 1 3 Pr 0.84816777986745 0.15266608893626 0.66781944669912 140.908 > 1 4 Pr 0.84816777986745 0.65266608893626 0.66781944669912 140.908 > 1 5 Pr 0.15183222013255 0.40266608893626 0.08218055330088 140.908 > 2 6 Pr 0.15183222013255 0.90266608893626 0.08218055330088 140.908 > 2 7 Pr 0.15183222013255 0.40266608893626 0.58218055330088 140.908 > 2 8 Pr 0.15183222013255 0.90266608893626 0.58218055330088 140.908 > 2 9 Pr 0.15183222013255 0.34733391106374 0.33218055330088 140.908 > 3 10 Pr 0.15183222013255 0.84733391106374 0.33218055330088 140.908 > 3 11 Pr 0.15183222013255 0.34733391106374 0.83218055330088 140.908 > 3 12 Pr 0.15183222013255 0.84733391106374 0.83218055330088 140.908 > 3 13 Pr 0.84816777986745 0.09733391106374 0.41781944669912 140.908 > 4 14 Pr 0.84816777986745 0.59733391106374 0.41781944669912 140.908 > 4 15 Pr 0.84816777986745 0.09733391106374 0.91781944669912 140.908 > 4 16 Pr 0.84816777986745 0.59733391106374 0.91781944669912 140.908 > 4 *17 Pr 0.60392957186123 0.42481543626646 0.09665801513681 140.908 > 5 18 Pr 0.60392957186123 0.92481543626646 0.09665801513681 140.908 > 5 19 Pr 0.60392957186123 0.42481543626646 0.59665801513681 140.908 > 5 20 Pr 0.60392957186123 0.92481543626646 0.59665801513681 140.908 > 5 21 Pr 0.39607042813877 0.17481543626645 0.15334198486319 140.908 > 6 22 Pr 0.39607042813877 0.67481543626646 0.15334198486319 140.908 > 6 23 Pr 0.39607042813877 0.17481543626645 0.65334198486319 140.908 > 6 24 Pr 0.39607042813877 0.67481543626646 0.65334198486319 140.908 > 6 25 Pr 0.39607042813877 0.07518456373354 0.40334198486319 140.908 > 7 26 Pr 0.39607042813877 0.57518456373354 0.40334198486319 140.908 > 7 27 Pr 0.39607042813877 0.07518456373354 0.90334198486319 140.908 > 7 28 Pr 0.39607042813877 0.57518456373354 0.90334198486319 140.908 > 7 29 Pr 0.60392957186123 0.32518456373354 0.34665801513681 140.908 > 8 30 Pr 0.60392957186123 0.82518456373354 0.34665801513681 140.908 > 8 31 Pr 0.60392957186123 0.32518456373354 0.84665801513681 140.908 > 8 32 Pr 0.60392957186123 0.82518456373354 0.84665801513681 140.908 > 8 *33 Te 0.90476647418423 0.39460303430220 0.19265625997584 127.600 > 9 34 Te 0.90476647418423 0.89460303430220 0.19265625997584 127.600 > 9 35 Te 0.90476647418423 0.39460303430220 0.69265625997584 127.600 > 9 36 Te 0.90476647418423 0.89460303430220 0.69265625997584 127.600 > 9 37 Te 0.09523352581577 0.14460303430220 0.05734374002416 127.600 > 10 38 Te 0.09523352581577 0.64460303430220 0.05734374002416 127.600 > 10 39 Te 0.09523352581577 0.14460303430220 0.55734374002416 127.600 > 10 40 Te 0.09523352581577 0.64460303430220 0.55734374002416 127.600 > 10 41 Te 0.09523352581577 0.10539696569780 0.30734374002416 127.600 > 11 42 Te 0.09523352581577 0.60539696569780 0.30734374002416 127.600 > 11 43 Te 0.09523352581577 0.10539696569780 0.80734374002416 127.600 > 11 44 Te 0.09523352581577 0.60539696569780 0.80734374002416 127.600 > 11 45 Te 0.90476647418423 0.35539696569780 0.44265625997584 127.600 > 12 46 Te 0.90476647418423 0.85539696569780 0.44265625997584 127.600 > 12 47 Te 0.90476647418423 0.35539696569780 0.94265625997584 127.600 > 12 48 Te 0.90476647418423 0.85539696569780 0.94265625997584 127.600 > 12 *49 Si 0.62576225166330 0.15478893660752 0.02884789644188 28.085 > 13 50 Si 0.62576225166330 0.65478893660752 0.02884789644188 28.085 > 13 51 Si 0.62576225166330 0.15478893660752 0.52884789644188 28.085 > 13 52 Si 0.62576225166330 0.65478893660752 0.52884789644188 28.085 > 13 53 Si 0.37423774833670 0.40478893660752 0.22115210355812 28.085 > 14 54 Si 0.37423774833670 0.90478893660752 0.22115210355812 28.085 > 14 55 Si 0.37423774833670 0.40478893660752 0.72115210355812 28.085 > 14 56 Si 0.37423774833670 0.90478893660752 0.72115210355812 28.085 > 14 57 Si 0.37423774833670 0.34521106339248 0.47115210355812 28.085 > 15 58 Si 0.37423774833670 0.84521106339248 0.47115210355812 28.085 > 15 59 Si 0.37423774833670 0.34521106339248 0.97115210355812 28.085 > 15 60 Si 0.37423774833670 0.84521106339248 0.97115210355812 28.085 > 15 61 Si 0.62576225166330 0.09521106339248 0.27884789644188 28.085 > 16 62 Si 0.62576225166330 0.59521106339248 0.27884789644188 28.085 > 16 63 Si 0.62576225166330 0.09521106339248 0.77884789644188 28.085 > 16 64 Si 0.62576225166330 0.59521106339248 0.77884789644188 28.085 > 16 *65 O 0.51923129276021 0.34526425992796 0.21050451740408 15.999 > 17 66 O 0.51923129276021 0.84526425992796 0.21050451740408 15.999 > 17 67 O 0.51923129276021 0.34526425992796 0.71050451740408 15.999 > 17 68 O 0.51923129276021 0.84526425992796 0.71050451740408 15.999 > 17 69 O 0.48076870723979 0.09526425992796 0.03949548259592 15.999 > 18 70 O 0.48076870723979 0.59526425992796 0.03949548259592 15.999 > 18 71 O 0.48076870723979 0.09526425992796 0.53949548259592 15.999 > 18 72 O 0.48076870723979 0.59526425992796 0.53949548259592 15.999 > 18 73 O 0.48076870723979 0.15473574007204 0.28949548259592 15.999 > 19 74 O 0.48076870723979 0.65473574007204 0.28949548259592 15.999 > 19 75 O 0.48076870723979 0.15473574007204 0.78949548259592 15.999 > 19 76 O 0.48076870723979 0.65473574007204 0.78949548259592 15.999 > 19 77 O 0.51923129276021 0.40473574007204 0.46050451740408 15.999 > 20 78 O 0.51923129276021 0.90473574007204 0.46050451740408 15.999 > 20 79 O 0.51923129276021 0.40473574007204 0.96050451740408 15.999 > 20 80 O 0.51923129276021 0.90473574007204 0.96050451740408 15.999 > 20 *81 O 0.62529611335537 0.06686799403575 0.18797310642819 15.999 > 21 82 O 0.62529611335537 0.56686799403575 0.18797310642819 15.999 > 21 83 O 0.62529611335537 0.06686799403575 0.68797310642819 15.999 > 21 84 O 0.62529611335537 0.56686799403575 0.68797310642819 15.999 > 21 85 O 0.37470388664463 0.31686799403575 0.06202689357181 15.999 > 22 86 O 0.37470388664463 0.81686799403575 0.06202689357181 15.999 > 22 87 O 0.37470388664463 0.31686799403575 0.56202689357181 15.999 > 22 88 O 0.37470388664463 0.81686799403575 0.56202689357181 15.999 > 22 89 O 0.37470388664463 0.43313200596425 0.31202689357181 15.999 > 23 90 O 0.37470388664463 0.93313200596425 0.31202689357181 15.999 > 23 91 O 0.37470388664463 0.43313200596425 0.81202689357181 15.999 > 23 92 O 0.37470388664463 0.93313200596425 0.81202689357181 15.999 > 23 93 O 0.62529611335537 0.18313200596425 0.43797310642819 15.999 > 24 94 O 0.62529611335537 0.68313200596425 0.43797310642819 15.999 > 24 95 O 0.62529611335537 0.18313200596425 0.93797310642819 15.999 > 24 96 O 0.62529611335537 0.68313200596425 0.93797310642819 15.999 > 24 *97 O 0.65364319436266 0.24448232916875 0.09321857764944 15.999 > 25 98 O 0.65364319436266 0.74448232916875 0.09321857764944 15.999 > 25 99 O 0.65364319436266 0.24448232916875 0.59321857764944 15.999 > 25 100 O 0.65364319436266 0.74448232916875 0.59321857764944 15.999 > 25 101 O 0.34635680563734 0.49448232916875 0.15678142235056 15.999 > 26 102 O 0.34635680563734 0.99448232916875 0.15678142235056 15.999 > 26 103 O 0.34635680563734 0.49448232916875 0.65678142235056 15.999 > 26 104 O 0.34635680563734 0.99448232916875 0.65678142235056 15.999 > 26 105 O 0.34635680563734 0.25551767083125 0.40678142235056 15.999 > 27 106 O 0.34635680563734 0.75551767083125 0.40678142235056 15.999 > 27 107 O 0.34635680563734 0.25551767083125 0.90678142235056 15.999 > 27 108 O 0.34635680563734 0.75551767083125 0.90678142235056 15.999 > 27 109 O 0.65364319436266 0.00551767083125 0.34321857764944 15.999 > 28 110 O 0.65364319436266 0.50551767083125 0.34321857764944 15.999 > 28 111 O 0.65364319436266 0.00551767083125 0.84321857764944 15.999 > 28 112 O 0.65364319436266 0.50551767083125 0.84321857764944 15.999 > 28 *113 O 0.75100150271143 0.07036418713031 0.04567423947997 15.999 > 29 114 O 0.75100150271143 0.57036418713031 0.04567423947997 15.999 > 29 115 O 0.75100150271143 0.07036418713031 0.54567423947997 15.999 > 29 116 O 0.75100150271143 0.57036418713031 0.54567423947997 15.999 > 29 117 O 0.24899849728857 0.32036418713031 0.20432576052003 15.999 > 30 118 O 0.24899849728857 0.82036418713031 0.20432576052003 15.999 > 30 119 O 0.24899849728857 0.32036418713031 0.70432576052003 15.999 > 30 120 O 0.24899849728857 0.82036418713031 0.70432576052003 15.999 > 30 121 O 0.24899849728857 0.42963581286969 0.45432576052003 15.999 > 31 122 O 0.24899849728857 0.92963581286969 0.45432576052003 15.999 > 31 123 O 0.24899849728857 0.42963581286969 0.95432576052003 15.999 > 31 124 O 0.24899849728857 0.92963581286969 0.95432576052003 15.999 > 31 125 O 0.75100150271143 0.17963581286969 0.29567423947997 15.999 > 32 126 O 0.75100150271143 0.67963581286969 0.29567423947997 15.999 > 32 127 O 0.75100150271143 0.17963581286969 0.79567423947997 15.999 > 32 128 O 0.75100150271143 0.67963581286969 0.79567423947997 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2262890 0.0000000 0.0987331 0.0000000 6.5516136 0.0000000 0.0987355 0.0000000 5.7618825 -------------------------- Born effective charges -------------------------- 1 Pr 3.5803809 0.0546333 -0.0104266 0.1027185 4.3571495 -0.0957046 0.0775046 -0.1572805 3.9997537 2 Pr 3.5803809 -0.0546333 -0.0104266 -0.1027185 4.3571495 0.0957046 0.0775046 0.1572805 3.9997537 3 Pr 3.5803809 0.0546333 -0.0104266 0.1027185 4.3571495 -0.0957046 0.0775046 -0.1572805 3.9997537 4 Pr 3.5803809 -0.0546333 -0.0104266 -0.1027185 4.3571495 0.0957046 0.0775046 0.1572805 3.9997537 5 Pr 4.6135116 0.2318112 0.1954372 0.0745631 4.3563174 0.1476004 0.1143281 0.0621027 4.0574165 6 Pr 4.6135116 -0.2318112 0.1954372 -0.0745631 4.3563174 -0.1476004 0.1143281 -0.0621027 4.0574165 7 Pr 4.6135116 0.2318112 0.1954372 0.0745631 4.3563174 0.1476004 0.1143281 0.0621027 4.0574165 8 Pr 4.6135116 -0.2318112 0.1954372 -0.0745631 4.3563174 -0.1476004 0.1143281 -0.0621027 4.0574165 9 Te -1.8011972 0.0658566 -0.1058871 0.0525919 -3.0093293 0.0630362 -0.0635748 0.0737985 -2.1138561 10 Te -1.8011972 -0.0658566 -0.1058871 -0.0525919 -3.0093293 -0.0630362 -0.0635748 -0.0737985 -2.1138561 11 Te -1.8011972 0.0658566 -0.1058871 0.0525919 -3.0093293 0.0630362 -0.0635748 0.0737985 -2.1138561 12 Te -1.8011972 -0.0658566 -0.1058871 -0.0525919 -3.0093293 -0.0630362 -0.0635748 -0.0737985 -2.1138561 13 Si 3.5115464 0.1193519 0.0483865 0.0514733 2.8361776 0.0715967 0.0144950 -0.0076688 3.4476382 14 Si 3.5115464 -0.1193519 0.0483865 -0.0514733 2.8361776 -0.0715967 0.0144950 0.0076688 3.4476382 15 Si 3.5115464 0.1193519 0.0483865 0.0514733 2.8361776 0.0715967 0.0144950 -0.0076688 3.4476382 16 Si 3.5115464 -0.1193519 0.0483865 -0.0514733 2.8361776 -0.0715967 0.0144950 0.0076688 3.4476382 17 O -2.6038939 0.1509474 -0.0147159 0.0993327 -1.8266225 0.1425696 0.0480661 0.1464199 -2.4351609 18 O -2.6038939 -0.1509474 -0.0147159 -0.0993327 -1.8266225 -0.1425696 0.0480661 -0.1464199 -2.4351609 19 O -2.6038939 0.1509474 -0.0147159 0.0993327 -1.8266225 0.1425696 0.0480661 0.1464199 -2.4351609 20 O -2.6038939 -0.1509474 -0.0147159 -0.0993327 -1.8266225 -0.1425696 0.0480661 -0.1464199 -2.4351609 21 O -2.5911332 0.0429036 0.0369496 0.0133526 -1.9000232 -0.3573219 0.1124618 -0.3382863 -2.5008943 22 O -2.5911332 -0.0429036 0.0369496 -0.0133526 -1.9000232 0.3573219 0.1124618 0.3382863 -2.5008943 23 O -2.5911332 0.0429036 0.0369496 0.0133526 -1.9000232 -0.3573219 0.1124618 -0.3382863 -2.5008943 24 O -2.5911332 -0.0429036 0.0369496 -0.0133526 -1.9000232 0.3573219 0.1124618 0.3382863 -2.5008943 25 O -2.3128192 0.1533310 -0.3195918 0.0441404 -2.6941944 -0.3684337 -0.3851730 -0.3254780 -1.9436778 26 O -2.3128192 -0.1533310 -0.3195918 -0.0441404 -2.6941944 0.3684337 -0.3851730 0.3254780 -1.9436778 27 O -2.3128192 0.1533310 -0.3195918 0.0441404 -2.6941944 -0.3684337 -0.3851730 -0.3254780 -1.9436778 28 O -2.3128192 -0.1533310 -0.3195918 -0.0441404 -2.6941944 0.3684337 -0.3851730 0.3254780 -1.9436778 29 O -2.3963953 0.0519970 0.1698482 0.0511496 -2.1194752 0.0218677 0.0818924 0.1262716 -2.5112194 30 O -2.3963953 -0.0519970 0.1698482 -0.0511496 -2.1194752 -0.0218677 0.0818924 -0.1262716 -2.5112194 31 O -2.3963953 0.0519970 0.1698482 0.0511496 -2.1194752 0.0218677 0.0818924 0.1262716 -2.5112194 32 O -2.3963953 -0.0519970 0.1698482 -0.0511496 -2.1194752 -0.0218677 0.0818924 -0.1262716 -2.5112194 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.435 Solver_block: 200 / 960 - Time: 1.263 Solver_block: 300 / 960 - Time: 1.271 Solver_block: 400 / 960 - Time: 1.267 Solver_block: 500 / 960 - Time: 1.278 Solver_block: 600 / 960 - Time: 1.261 Solver_block: 700 / 960 - Time: 1.265 Solver_block: 800 / 960 - Time: 1.274 Solver_block: 900 / 960 - Time: 1.265 Solver_block: 960 / 960 - Time: 0.855 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.804 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:27:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:27:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.828061510160168 0.000000000000000 0.000000000000000 b 0.000000000000000 6.449625110000000 0.000000000000000 c -0.709658108234997 0.000000000000000 8.717254698588626 Atomic positions (fractional): 1 Pr 0.84816777986745 0.30533217787252 0.33563889339824 140.908 2 Pr 0.15183222013255 0.80533217787252 0.16436110660176 140.908 3 Pr 0.15183222013255 0.69466782212748 0.66436110660175 140.908 4 Pr 0.84816777986745 0.19466782212748 0.83563889339825 140.908 5 Pr 0.60392957186123 0.84963087253291 0.19331603027362 140.908 6 Pr 0.39607042813877 0.34963087253291 0.30668396972638 140.908 7 Pr 0.39607042813877 0.15036912746709 0.80668396972638 140.908 8 Pr 0.60392957186123 0.65036912746709 0.69331603027362 140.908 9 Te 0.90476647418423 0.78920606860440 0.38531251995168 127.600 10 Te 0.09523352581577 0.28920606860440 0.11468748004832 127.600 11 Te 0.09523352581577 0.21079393139560 0.61468748004832 127.600 12 Te 0.90476647418423 0.71079393139560 0.88531251995168 127.600 13 Si 0.62576225166330 0.30957787321504 0.05769579288377 28.085 14 Si 0.37423774833670 0.80957787321504 0.44230420711623 28.085 15 Si 0.37423774833670 0.69042212678496 0.94230420711623 28.085 16 Si 0.62576225166330 0.19042212678496 0.55769579288377 28.085 17 O 0.51923129276021 0.69052851985592 0.42100903480815 15.999 18 O 0.48076870723979 0.19052851985592 0.07899096519185 15.999 19 O 0.48076870723979 0.30947148014408 0.57899096519185 15.999 20 O 0.51923129276021 0.80947148014408 0.92100903480815 15.999 21 O 0.62529611335537 0.13373598807150 0.37594621285637 15.999 22 O 0.37470388664463 0.63373598807150 0.12405378714363 15.999 23 O 0.37470388664463 0.86626401192850 0.62405378714363 15.999 24 O 0.62529611335537 0.36626401192850 0.87594621285637 15.999 25 O 0.65364319436266 0.48896465833750 0.18643715529887 15.999 26 O 0.34635680563734 0.98896465833750 0.31356284470113 15.999 27 O 0.34635680563734 0.51103534166250 0.81356284470113 15.999 28 O 0.65364319436266 0.01103534166250 0.68643715529887 15.999 29 O 0.75100150271143 0.14072837426061 0.09134847895994 15.999 30 O 0.24899849728857 0.64072837426061 0.40865152104006 15.999 31 O 0.24899849728857 0.85927162573939 0.90865152104006 15.999 32 O 0.75100150271143 0.35927162573939 0.59134847895994 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.828061510160168 0.000000000000000 0.000000000000000 b 0.000000000000000 12.899250220000001 0.000000000000000 c -1.419316216469994 0.000000000000000 17.434509397177251 Atomic positions (fractional): 1 Pr 0.84816777986745 0.15266608893626 0.16781944669912 140.908 > 1 2 Pr 0.84816777986745 0.65266608893626 0.16781944669912 140.908 > 1 3 Pr 0.84816777986745 0.15266608893626 0.66781944669912 140.908 > 1 4 Pr 0.84816777986745 0.65266608893626 0.66781944669912 140.908 > 1 5 Pr 0.15183222013255 0.40266608893626 0.08218055330088 140.908 > 5 6 Pr 0.15183222013255 0.90266608893626 0.08218055330088 140.908 > 5 7 Pr 0.15183222013255 0.40266608893626 0.58218055330088 140.908 > 5 8 Pr 0.15183222013255 0.90266608893626 0.58218055330088 140.908 > 5 9 Pr 0.15183222013255 0.34733391106374 0.33218055330088 140.908 > 9 10 Pr 0.15183222013255 0.84733391106374 0.33218055330088 140.908 > 9 11 Pr 0.15183222013255 0.34733391106374 0.83218055330088 140.908 > 9 12 Pr 0.15183222013255 0.84733391106374 0.83218055330088 140.908 > 9 13 Pr 0.84816777986745 0.09733391106374 0.41781944669912 140.908 > 13 14 Pr 0.84816777986745 0.59733391106374 0.41781944669912 140.908 > 13 15 Pr 0.84816777986745 0.09733391106374 0.91781944669912 140.908 > 13 16 Pr 0.84816777986745 0.59733391106374 0.91781944669912 140.908 > 13 17 Pr 0.60392957186123 0.42481543626646 0.09665801513681 140.908 > 17 18 Pr 0.60392957186123 0.92481543626646 0.09665801513681 140.908 > 17 19 Pr 0.60392957186123 0.42481543626646 0.59665801513681 140.908 > 17 20 Pr 0.60392957186123 0.92481543626646 0.59665801513681 140.908 > 17 21 Pr 0.39607042813877 0.17481543626645 0.15334198486319 140.908 > 21 22 Pr 0.39607042813877 0.67481543626646 0.15334198486319 140.908 > 21 23 Pr 0.39607042813877 0.17481543626645 0.65334198486319 140.908 > 21 24 Pr 0.39607042813877 0.67481543626646 0.65334198486319 140.908 > 21 25 Pr 0.39607042813877 0.07518456373354 0.40334198486319 140.908 > 25 26 Pr 0.39607042813877 0.57518456373354 0.40334198486319 140.908 > 25 27 Pr 0.39607042813877 0.07518456373354 0.90334198486319 140.908 > 25 28 Pr 0.39607042813877 0.57518456373354 0.90334198486319 140.908 > 25 29 Pr 0.60392957186123 0.32518456373354 0.34665801513681 140.908 > 29 30 Pr 0.60392957186123 0.82518456373354 0.34665801513681 140.908 > 29 31 Pr 0.60392957186123 0.32518456373354 0.84665801513681 140.908 > 29 32 Pr 0.60392957186123 0.82518456373354 0.84665801513681 140.908 > 29 33 Te 0.90476647418423 0.39460303430220 0.19265625997584 127.600 > 33 34 Te 0.90476647418423 0.89460303430220 0.19265625997584 127.600 > 33 35 Te 0.90476647418423 0.39460303430220 0.69265625997584 127.600 > 33 36 Te 0.90476647418423 0.89460303430220 0.69265625997584 127.600 > 33 37 Te 0.09523352581577 0.14460303430220 0.05734374002416 127.600 > 37 38 Te 0.09523352581577 0.64460303430220 0.05734374002416 127.600 > 37 39 Te 0.09523352581577 0.14460303430220 0.55734374002416 127.600 > 37 40 Te 0.09523352581577 0.64460303430220 0.55734374002416 127.600 > 37 41 Te 0.09523352581577 0.10539696569780 0.30734374002416 127.600 > 41 42 Te 0.09523352581577 0.60539696569780 0.30734374002416 127.600 > 41 43 Te 0.09523352581577 0.10539696569780 0.80734374002416 127.600 > 41 44 Te 0.09523352581577 0.60539696569780 0.80734374002416 127.600 > 41 45 Te 0.90476647418423 0.35539696569780 0.44265625997584 127.600 > 45 46 Te 0.90476647418423 0.85539696569780 0.44265625997584 127.600 > 45 47 Te 0.90476647418423 0.35539696569780 0.94265625997584 127.600 > 45 48 Te 0.90476647418423 0.85539696569780 0.94265625997584 127.600 > 45 49 Si 0.62576225166330 0.15478893660752 0.02884789644188 28.085 > 49 50 Si 0.62576225166330 0.65478893660752 0.02884789644188 28.085 > 49 51 Si 0.62576225166330 0.15478893660752 0.52884789644188 28.085 > 49 52 Si 0.62576225166330 0.65478893660752 0.52884789644188 28.085 > 49 53 Si 0.37423774833670 0.40478893660752 0.22115210355812 28.085 > 53 54 Si 0.37423774833670 0.90478893660752 0.22115210355812 28.085 > 53 55 Si 0.37423774833670 0.40478893660752 0.72115210355812 28.085 > 53 56 Si 0.37423774833670 0.90478893660752 0.72115210355812 28.085 > 53 57 Si 0.37423774833670 0.34521106339248 0.47115210355812 28.085 > 57 58 Si 0.37423774833670 0.84521106339248 0.47115210355812 28.085 > 57 59 Si 0.37423774833670 0.34521106339248 0.97115210355812 28.085 > 57 60 Si 0.37423774833670 0.84521106339248 0.97115210355812 28.085 > 57 61 Si 0.62576225166330 0.09521106339248 0.27884789644188 28.085 > 61 62 Si 0.62576225166330 0.59521106339248 0.27884789644188 28.085 > 61 63 Si 0.62576225166330 0.09521106339248 0.77884789644188 28.085 > 61 64 Si 0.62576225166330 0.59521106339248 0.77884789644188 28.085 > 61 65 O 0.51923129276021 0.34526425992796 0.21050451740408 15.999 > 65 66 O 0.51923129276021 0.84526425992796 0.21050451740408 15.999 > 65 67 O 0.51923129276021 0.34526425992796 0.71050451740408 15.999 > 65 68 O 0.51923129276021 0.84526425992796 0.71050451740408 15.999 > 65 69 O 0.48076870723979 0.09526425992796 0.03949548259592 15.999 > 69 70 O 0.48076870723979 0.59526425992796 0.03949548259592 15.999 > 69 71 O 0.48076870723979 0.09526425992796 0.53949548259592 15.999 > 69 72 O 0.48076870723979 0.59526425992796 0.53949548259592 15.999 > 69 73 O 0.48076870723979 0.15473574007204 0.28949548259592 15.999 > 73 74 O 0.48076870723979 0.65473574007204 0.28949548259592 15.999 > 73 75 O 0.48076870723979 0.15473574007204 0.78949548259592 15.999 > 73 76 O 0.48076870723979 0.65473574007204 0.78949548259592 15.999 > 73 77 O 0.51923129276021 0.40473574007204 0.46050451740408 15.999 > 77 78 O 0.51923129276021 0.90473574007204 0.46050451740408 15.999 > 77 79 O 0.51923129276021 0.40473574007204 0.96050451740408 15.999 > 77 80 O 0.51923129276021 0.90473574007204 0.96050451740408 15.999 > 77 81 O 0.62529611335537 0.06686799403575 0.18797310642819 15.999 > 81 82 O 0.62529611335537 0.56686799403575 0.18797310642819 15.999 > 81 83 O 0.62529611335537 0.06686799403575 0.68797310642819 15.999 > 81 84 O 0.62529611335537 0.56686799403575 0.68797310642819 15.999 > 81 85 O 0.37470388664463 0.31686799403575 0.06202689357181 15.999 > 85 86 O 0.37470388664463 0.81686799403575 0.06202689357181 15.999 > 85 87 O 0.37470388664463 0.31686799403575 0.56202689357181 15.999 > 85 88 O 0.37470388664463 0.81686799403575 0.56202689357181 15.999 > 85 89 O 0.37470388664463 0.43313200596425 0.31202689357181 15.999 > 89 90 O 0.37470388664463 0.93313200596425 0.31202689357181 15.999 > 89 91 O 0.37470388664463 0.43313200596425 0.81202689357181 15.999 > 89 92 O 0.37470388664463 0.93313200596425 0.81202689357181 15.999 > 89 93 O 0.62529611335537 0.18313200596425 0.43797310642819 15.999 > 93 94 O 0.62529611335537 0.68313200596425 0.43797310642819 15.999 > 93 95 O 0.62529611335537 0.18313200596425 0.93797310642819 15.999 > 93 96 O 0.62529611335537 0.68313200596425 0.93797310642819 15.999 > 93 97 O 0.65364319436266 0.24448232916875 0.09321857764944 15.999 > 97 98 O 0.65364319436266 0.74448232916875 0.09321857764944 15.999 > 97 99 O 0.65364319436266 0.24448232916875 0.59321857764944 15.999 > 97 100 O 0.65364319436266 0.74448232916875 0.59321857764944 15.999 > 97 101 O 0.34635680563734 0.49448232916875 0.15678142235056 15.999 > 101 102 O 0.34635680563734 0.99448232916875 0.15678142235056 15.999 > 101 103 O 0.34635680563734 0.49448232916875 0.65678142235056 15.999 > 101 104 O 0.34635680563734 0.99448232916875 0.65678142235056 15.999 > 101 105 O 0.34635680563734 0.25551767083125 0.40678142235056 15.999 > 105 106 O 0.34635680563734 0.75551767083125 0.40678142235056 15.999 > 105 107 O 0.34635680563734 0.25551767083125 0.90678142235056 15.999 > 105 108 O 0.34635680563734 0.75551767083125 0.90678142235056 15.999 > 105 109 O 0.65364319436266 0.00551767083125 0.34321857764944 15.999 > 109 110 O 0.65364319436266 0.50551767083125 0.34321857764944 15.999 > 109 111 O 0.65364319436266 0.00551767083125 0.84321857764944 15.999 > 109 112 O 0.65364319436266 0.50551767083125 0.84321857764944 15.999 > 109 113 O 0.75100150271143 0.07036418713031 0.04567423947997 15.999 > 113 114 O 0.75100150271143 0.57036418713031 0.04567423947997 15.999 > 113 115 O 0.75100150271143 0.07036418713031 0.54567423947997 15.999 > 113 116 O 0.75100150271143 0.57036418713031 0.54567423947997 15.999 > 113 117 O 0.24899849728857 0.32036418713031 0.20432576052003 15.999 > 117 118 O 0.24899849728857 0.82036418713031 0.20432576052003 15.999 > 117 119 O 0.24899849728857 0.32036418713031 0.70432576052003 15.999 > 117 120 O 0.24899849728857 0.82036418713031 0.70432576052003 15.999 > 117 121 O 0.24899849728857 0.42963581286969 0.45432576052003 15.999 > 121 122 O 0.24899849728857 0.92963581286969 0.45432576052003 15.999 > 121 123 O 0.24899849728857 0.42963581286969 0.95432576052003 15.999 > 121 124 O 0.24899849728857 0.92963581286969 0.95432576052003 15.999 > 121 125 O 0.75100150271143 0.17963581286969 0.29567423947997 15.999 > 125 126 O 0.75100150271143 0.67963581286969 0.29567423947997 15.999 > 125 127 O 0.75100150271143 0.17963581286969 0.79567423947997 15.999 > 125 128 O 0.75100150271143 0.67963581286969 0.79567423947997 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2262890 0.0000000 0.0987331 0.0000000 6.5516136 0.0000000 0.0987355 0.0000000 5.7618825 -------------------------- Born effective charges -------------------------- 1 Pr 3.5803809 0.0546333 -0.0104266 0.1027185 4.3571495 -0.0957046 0.0775046 -0.1572805 3.9997537 2 Pr 3.5803809 -0.0546333 -0.0104266 -0.1027185 4.3571495 0.0957046 0.0775046 0.1572805 3.9997537 3 Pr 3.5803809 0.0546333 -0.0104266 0.1027185 4.3571495 -0.0957046 0.0775046 -0.1572805 3.9997537 4 Pr 3.5803809 -0.0546333 -0.0104266 -0.1027185 4.3571495 0.0957046 0.0775046 0.1572805 3.9997537 5 Pr 4.6135116 0.2318112 0.1954372 0.0745631 4.3563174 0.1476004 0.1143281 0.0621027 4.0574165 6 Pr 4.6135116 -0.2318112 0.1954372 -0.0745631 4.3563174 -0.1476004 0.1143281 -0.0621027 4.0574165 7 Pr 4.6135116 0.2318112 0.1954372 0.0745631 4.3563174 0.1476004 0.1143281 0.0621027 4.0574165 8 Pr 4.6135116 -0.2318112 0.1954372 -0.0745631 4.3563174 -0.1476004 0.1143281 -0.0621027 4.0574165 9 Te -1.8011972 0.0658566 -0.1058871 0.0525919 -3.0093293 0.0630362 -0.0635748 0.0737985 -2.1138561 10 Te -1.8011972 -0.0658566 -0.1058871 -0.0525919 -3.0093293 -0.0630362 -0.0635748 -0.0737985 -2.1138561 11 Te -1.8011972 0.0658566 -0.1058871 0.0525919 -3.0093293 0.0630362 -0.0635748 0.0737985 -2.1138561 12 Te -1.8011972 -0.0658566 -0.1058871 -0.0525919 -3.0093293 -0.0630362 -0.0635748 -0.0737985 -2.1138561 13 Si 3.5115464 0.1193519 0.0483865 0.0514733 2.8361776 0.0715967 0.0144950 -0.0076688 3.4476382 14 Si 3.5115464 -0.1193519 0.0483865 -0.0514733 2.8361776 -0.0715967 0.0144950 0.0076688 3.4476382 15 Si 3.5115464 0.1193519 0.0483865 0.0514733 2.8361776 0.0715967 0.0144950 -0.0076688 3.4476382 16 Si 3.5115464 -0.1193519 0.0483865 -0.0514733 2.8361776 -0.0715967 0.0144950 0.0076688 3.4476382 17 O -2.6038939 0.1509474 -0.0147159 0.0993327 -1.8266225 0.1425696 0.0480661 0.1464199 -2.4351609 18 O -2.6038939 -0.1509474 -0.0147159 -0.0993327 -1.8266225 -0.1425696 0.0480661 -0.1464199 -2.4351609 19 O -2.6038939 0.1509474 -0.0147159 0.0993327 -1.8266225 0.1425696 0.0480661 0.1464199 -2.4351609 20 O -2.6038939 -0.1509474 -0.0147159 -0.0993327 -1.8266225 -0.1425696 0.0480661 -0.1464199 -2.4351609 21 O -2.5911332 0.0429036 0.0369496 0.0133526 -1.9000232 -0.3573219 0.1124618 -0.3382863 -2.5008943 22 O -2.5911332 -0.0429036 0.0369496 -0.0133526 -1.9000232 0.3573219 0.1124618 0.3382863 -2.5008943 23 O -2.5911332 0.0429036 0.0369496 0.0133526 -1.9000232 -0.3573219 0.1124618 -0.3382863 -2.5008943 24 O -2.5911332 -0.0429036 0.0369496 -0.0133526 -1.9000232 0.3573219 0.1124618 0.3382863 -2.5008943 25 O -2.3128192 0.1533310 -0.3195918 0.0441404 -2.6941944 -0.3684337 -0.3851730 -0.3254780 -1.9436778 26 O -2.3128192 -0.1533310 -0.3195918 -0.0441404 -2.6941944 0.3684337 -0.3851730 0.3254780 -1.9436778 27 O -2.3128192 0.1533310 -0.3195918 0.0441404 -2.6941944 -0.3684337 -0.3851730 -0.3254780 -1.9436778 28 O -2.3128192 -0.1533310 -0.3195918 -0.0441404 -2.6941944 0.3684337 -0.3851730 0.3254780 -1.9436778 29 O -2.3963953 0.0519970 0.1698482 0.0511496 -2.1194752 0.0218677 0.0818924 0.1262716 -2.5112194 30 O -2.3963953 -0.0519970 0.1698482 -0.0511496 -2.1194752 -0.0218677 0.0818924 -0.1262716 -2.5112194 31 O -2.3963953 0.0519970 0.1698482 0.0511496 -2.1194752 0.0218677 0.0818924 0.1262716 -2.5112194 32 O -2.3963953 -0.0519970 0.1698482 -0.0511496 -2.1194752 -0.0218677 0.0818924 -0.1262716 -2.5112194 ---------------------------------------------------------------------------- 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 33, 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] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 81, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 97, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 113, 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:28:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:28:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.828061510160168 0.000000000000000 0.000000000000000 b 0.000000000000000 6.449625110000000 0.000000000000000 c -0.709658108234997 0.000000000000000 8.717254698588626 Atomic positions (fractional): 1 Pr 0.84816777986745 0.30533217787252 0.33563889339824 140.908 2 Pr 0.15183222013255 0.80533217787252 0.16436110660176 140.908 3 Pr 0.15183222013255 0.69466782212748 0.66436110660175 140.908 4 Pr 0.84816777986745 0.19466782212748 0.83563889339825 140.908 5 Pr 0.60392957186123 0.84963087253291 0.19331603027362 140.908 6 Pr 0.39607042813877 0.34963087253291 0.30668396972638 140.908 7 Pr 0.39607042813877 0.15036912746709 0.80668396972638 140.908 8 Pr 0.60392957186123 0.65036912746709 0.69331603027362 140.908 9 Te 0.90476647418423 0.78920606860440 0.38531251995168 127.600 10 Te 0.09523352581577 0.28920606860440 0.11468748004832 127.600 11 Te 0.09523352581577 0.21079393139560 0.61468748004832 127.600 12 Te 0.90476647418423 0.71079393139560 0.88531251995168 127.600 13 Si 0.62576225166330 0.30957787321504 0.05769579288377 28.085 14 Si 0.37423774833670 0.80957787321504 0.44230420711623 28.085 15 Si 0.37423774833670 0.69042212678496 0.94230420711623 28.085 16 Si 0.62576225166330 0.19042212678496 0.55769579288377 28.085 17 O 0.51923129276021 0.69052851985592 0.42100903480815 15.999 18 O 0.48076870723979 0.19052851985592 0.07899096519185 15.999 19 O 0.48076870723979 0.30947148014408 0.57899096519185 15.999 20 O 0.51923129276021 0.80947148014408 0.92100903480815 15.999 21 O 0.62529611335537 0.13373598807150 0.37594621285637 15.999 22 O 0.37470388664463 0.63373598807150 0.12405378714363 15.999 23 O 0.37470388664463 0.86626401192850 0.62405378714363 15.999 24 O 0.62529611335537 0.36626401192850 0.87594621285637 15.999 25 O 0.65364319436266 0.48896465833750 0.18643715529887 15.999 26 O 0.34635680563734 0.98896465833750 0.31356284470113 15.999 27 O 0.34635680563734 0.51103534166250 0.81356284470113 15.999 28 O 0.65364319436266 0.01103534166250 0.68643715529887 15.999 29 O 0.75100150271143 0.14072837426061 0.09134847895994 15.999 30 O 0.24899849728857 0.64072837426061 0.40865152104006 15.999 31 O 0.24899849728857 0.85927162573939 0.90865152104006 15.999 32 O 0.75100150271143 0.35927162573939 0.59134847895994 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.828061510160168 0.000000000000000 0.000000000000000 b 0.000000000000000 12.899250220000001 0.000000000000000 c -1.419316216469994 0.000000000000000 17.434509397177251 Atomic positions (fractional): 1 Pr 0.84816777986745 0.15266608893626 0.16781944669912 140.908 > 1 2 Pr 0.84816777986745 0.65266608893626 0.16781944669912 140.908 > 1 3 Pr 0.84816777986745 0.15266608893626 0.66781944669912 140.908 > 1 4 Pr 0.84816777986745 0.65266608893626 0.66781944669912 140.908 > 1 5 Pr 0.15183222013255 0.40266608893626 0.08218055330088 140.908 > 5 6 Pr 0.15183222013255 0.90266608893626 0.08218055330088 140.908 > 5 7 Pr 0.15183222013255 0.40266608893626 0.58218055330088 140.908 > 5 8 Pr 0.15183222013255 0.90266608893626 0.58218055330088 140.908 > 5 9 Pr 0.15183222013255 0.34733391106374 0.33218055330088 140.908 > 9 10 Pr 0.15183222013255 0.84733391106374 0.33218055330088 140.908 > 9 11 Pr 0.15183222013255 0.34733391106374 0.83218055330088 140.908 > 9 12 Pr 0.15183222013255 0.84733391106374 0.83218055330088 140.908 > 9 13 Pr 0.84816777986745 0.09733391106374 0.41781944669912 140.908 > 13 14 Pr 0.84816777986745 0.59733391106374 0.41781944669912 140.908 > 13 15 Pr 0.84816777986745 0.09733391106374 0.91781944669912 140.908 > 13 16 Pr 0.84816777986745 0.59733391106374 0.91781944669912 140.908 > 13 17 Pr 0.60392957186123 0.42481543626646 0.09665801513681 140.908 > 17 18 Pr 0.60392957186123 0.92481543626646 0.09665801513681 140.908 > 17 19 Pr 0.60392957186123 0.42481543626646 0.59665801513681 140.908 > 17 20 Pr 0.60392957186123 0.92481543626646 0.59665801513681 140.908 > 17 21 Pr 0.39607042813877 0.17481543626645 0.15334198486319 140.908 > 21 22 Pr 0.39607042813877 0.67481543626646 0.15334198486319 140.908 > 21 23 Pr 0.39607042813877 0.17481543626645 0.65334198486319 140.908 > 21 24 Pr 0.39607042813877 0.67481543626646 0.65334198486319 140.908 > 21 25 Pr 0.39607042813877 0.07518456373354 0.40334198486319 140.908 > 25 26 Pr 0.39607042813877 0.57518456373354 0.40334198486319 140.908 > 25 27 Pr 0.39607042813877 0.07518456373354 0.90334198486319 140.908 > 25 28 Pr 0.39607042813877 0.57518456373354 0.90334198486319 140.908 > 25 29 Pr 0.60392957186123 0.32518456373354 0.34665801513681 140.908 > 29 30 Pr 0.60392957186123 0.82518456373354 0.34665801513681 140.908 > 29 31 Pr 0.60392957186123 0.32518456373354 0.84665801513681 140.908 > 29 32 Pr 0.60392957186123 0.82518456373354 0.84665801513681 140.908 > 29 33 Te 0.90476647418423 0.39460303430220 0.19265625997584 127.600 > 33 34 Te 0.90476647418423 0.89460303430220 0.19265625997584 127.600 > 33 35 Te 0.90476647418423 0.39460303430220 0.69265625997584 127.600 > 33 36 Te 0.90476647418423 0.89460303430220 0.69265625997584 127.600 > 33 37 Te 0.09523352581577 0.14460303430220 0.05734374002416 127.600 > 37 38 Te 0.09523352581577 0.64460303430220 0.05734374002416 127.600 > 37 39 Te 0.09523352581577 0.14460303430220 0.55734374002416 127.600 > 37 40 Te 0.09523352581577 0.64460303430220 0.55734374002416 127.600 > 37 41 Te 0.09523352581577 0.10539696569780 0.30734374002416 127.600 > 41 42 Te 0.09523352581577 0.60539696569780 0.30734374002416 127.600 > 41 43 Te 0.09523352581577 0.10539696569780 0.80734374002416 127.600 > 41 44 Te 0.09523352581577 0.60539696569780 0.80734374002416 127.600 > 41 45 Te 0.90476647418423 0.35539696569780 0.44265625997584 127.600 > 45 46 Te 0.90476647418423 0.85539696569780 0.44265625997584 127.600 > 45 47 Te 0.90476647418423 0.35539696569780 0.94265625997584 127.600 > 45 48 Te 0.90476647418423 0.85539696569780 0.94265625997584 127.600 > 45 49 Si 0.62576225166330 0.15478893660752 0.02884789644188 28.085 > 49 50 Si 0.62576225166330 0.65478893660752 0.02884789644188 28.085 > 49 51 Si 0.62576225166330 0.15478893660752 0.52884789644188 28.085 > 49 52 Si 0.62576225166330 0.65478893660752 0.52884789644188 28.085 > 49 53 Si 0.37423774833670 0.40478893660752 0.22115210355812 28.085 > 53 54 Si 0.37423774833670 0.90478893660752 0.22115210355812 28.085 > 53 55 Si 0.37423774833670 0.40478893660752 0.72115210355812 28.085 > 53 56 Si 0.37423774833670 0.90478893660752 0.72115210355812 28.085 > 53 57 Si 0.37423774833670 0.34521106339248 0.47115210355812 28.085 > 57 58 Si 0.37423774833670 0.84521106339248 0.47115210355812 28.085 > 57 59 Si 0.37423774833670 0.34521106339248 0.97115210355812 28.085 > 57 60 Si 0.37423774833670 0.84521106339248 0.97115210355812 28.085 > 57 61 Si 0.62576225166330 0.09521106339248 0.27884789644188 28.085 > 61 62 Si 0.62576225166330 0.59521106339248 0.27884789644188 28.085 > 61 63 Si 0.62576225166330 0.09521106339248 0.77884789644188 28.085 > 61 64 Si 0.62576225166330 0.59521106339248 0.77884789644188 28.085 > 61 65 O 0.51923129276021 0.34526425992796 0.21050451740408 15.999 > 65 66 O 0.51923129276021 0.84526425992796 0.21050451740408 15.999 > 65 67 O 0.51923129276021 0.34526425992796 0.71050451740408 15.999 > 65 68 O 0.51923129276021 0.84526425992796 0.71050451740408 15.999 > 65 69 O 0.48076870723979 0.09526425992796 0.03949548259592 15.999 > 69 70 O 0.48076870723979 0.59526425992796 0.03949548259592 15.999 > 69 71 O 0.48076870723979 0.09526425992796 0.53949548259592 15.999 > 69 72 O 0.48076870723979 0.59526425992796 0.53949548259592 15.999 > 69 73 O 0.48076870723979 0.15473574007204 0.28949548259592 15.999 > 73 74 O 0.48076870723979 0.65473574007204 0.28949548259592 15.999 > 73 75 O 0.48076870723979 0.15473574007204 0.78949548259592 15.999 > 73 76 O 0.48076870723979 0.65473574007204 0.78949548259592 15.999 > 73 77 O 0.51923129276021 0.40473574007204 0.46050451740408 15.999 > 77 78 O 0.51923129276021 0.90473574007204 0.46050451740408 15.999 > 77 79 O 0.51923129276021 0.40473574007204 0.96050451740408 15.999 > 77 80 O 0.51923129276021 0.90473574007204 0.96050451740408 15.999 > 77 81 O 0.62529611335537 0.06686799403575 0.18797310642819 15.999 > 81 82 O 0.62529611335537 0.56686799403575 0.18797310642819 15.999 > 81 83 O 0.62529611335537 0.06686799403575 0.68797310642819 15.999 > 81 84 O 0.62529611335537 0.56686799403575 0.68797310642819 15.999 > 81 85 O 0.37470388664463 0.31686799403575 0.06202689357181 15.999 > 85 86 O 0.37470388664463 0.81686799403575 0.06202689357181 15.999 > 85 87 O 0.37470388664463 0.31686799403575 0.56202689357181 15.999 > 85 88 O 0.37470388664463 0.81686799403575 0.56202689357181 15.999 > 85 89 O 0.37470388664463 0.43313200596425 0.31202689357181 15.999 > 89 90 O 0.37470388664463 0.93313200596425 0.31202689357181 15.999 > 89 91 O 0.37470388664463 0.43313200596425 0.81202689357181 15.999 > 89 92 O 0.37470388664463 0.93313200596425 0.81202689357181 15.999 > 89 93 O 0.62529611335537 0.18313200596425 0.43797310642819 15.999 > 93 94 O 0.62529611335537 0.68313200596425 0.43797310642819 15.999 > 93 95 O 0.62529611335537 0.18313200596425 0.93797310642819 15.999 > 93 96 O 0.62529611335537 0.68313200596425 0.93797310642819 15.999 > 93 97 O 0.65364319436266 0.24448232916875 0.09321857764944 15.999 > 97 98 O 0.65364319436266 0.74448232916875 0.09321857764944 15.999 > 97 99 O 0.65364319436266 0.24448232916875 0.59321857764944 15.999 > 97 100 O 0.65364319436266 0.74448232916875 0.59321857764944 15.999 > 97 101 O 0.34635680563734 0.49448232916875 0.15678142235056 15.999 > 101 102 O 0.34635680563734 0.99448232916875 0.15678142235056 15.999 > 101 103 O 0.34635680563734 0.49448232916875 0.65678142235056 15.999 > 101 104 O 0.34635680563734 0.99448232916875 0.65678142235056 15.999 > 101 105 O 0.34635680563734 0.25551767083125 0.40678142235056 15.999 > 105 106 O 0.34635680563734 0.75551767083125 0.40678142235056 15.999 > 105 107 O 0.34635680563734 0.25551767083125 0.90678142235056 15.999 > 105 108 O 0.34635680563734 0.75551767083125 0.90678142235056 15.999 > 105 109 O 0.65364319436266 0.00551767083125 0.34321857764944 15.999 > 109 110 O 0.65364319436266 0.50551767083125 0.34321857764944 15.999 > 109 111 O 0.65364319436266 0.00551767083125 0.84321857764944 15.999 > 109 112 O 0.65364319436266 0.50551767083125 0.84321857764944 15.999 > 109 113 O 0.75100150271143 0.07036418713031 0.04567423947997 15.999 > 113 114 O 0.75100150271143 0.57036418713031 0.04567423947997 15.999 > 113 115 O 0.75100150271143 0.07036418713031 0.54567423947997 15.999 > 113 116 O 0.75100150271143 0.57036418713031 0.54567423947997 15.999 > 113 117 O 0.24899849728857 0.32036418713031 0.20432576052003 15.999 > 117 118 O 0.24899849728857 0.82036418713031 0.20432576052003 15.999 > 117 119 O 0.24899849728857 0.32036418713031 0.70432576052003 15.999 > 117 120 O 0.24899849728857 0.82036418713031 0.70432576052003 15.999 > 117 121 O 0.24899849728857 0.42963581286969 0.45432576052003 15.999 > 121 122 O 0.24899849728857 0.92963581286969 0.45432576052003 15.999 > 121 123 O 0.24899849728857 0.42963581286969 0.95432576052003 15.999 > 121 124 O 0.24899849728857 0.92963581286969 0.95432576052003 15.999 > 121 125 O 0.75100150271143 0.17963581286969 0.29567423947997 15.999 > 125 126 O 0.75100150271143 0.67963581286969 0.29567423947997 15.999 > 125 127 O 0.75100150271143 0.17963581286969 0.79567423947997 15.999 > 125 128 O 0.75100150271143 0.67963581286969 0.79567423947997 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2262890 0.0000000 0.0987331 0.0000000 6.5516136 0.0000000 0.0987355 0.0000000 5.7618825 -------------------------- Born effective charges -------------------------- 1 Pr 3.5803809 0.0546333 -0.0104266 0.1027185 4.3571495 -0.0957046 0.0775046 -0.1572805 3.9997537 2 Pr 3.5803809 -0.0546333 -0.0104266 -0.1027185 4.3571495 0.0957046 0.0775046 0.1572805 3.9997537 3 Pr 3.5803809 0.0546333 -0.0104266 0.1027185 4.3571495 -0.0957046 0.0775046 -0.1572805 3.9997537 4 Pr 3.5803809 -0.0546333 -0.0104266 -0.1027185 4.3571495 0.0957046 0.0775046 0.1572805 3.9997537 5 Pr 4.6135116 0.2318112 0.1954372 0.0745631 4.3563174 0.1476004 0.1143281 0.0621027 4.0574165 6 Pr 4.6135116 -0.2318112 0.1954372 -0.0745631 4.3563174 -0.1476004 0.1143281 -0.0621027 4.0574165 7 Pr 4.6135116 0.2318112 0.1954372 0.0745631 4.3563174 0.1476004 0.1143281 0.0621027 4.0574165 8 Pr 4.6135116 -0.2318112 0.1954372 -0.0745631 4.3563174 -0.1476004 0.1143281 -0.0621027 4.0574165 9 Te -1.8011972 0.0658566 -0.1058871 0.0525919 -3.0093293 0.0630362 -0.0635748 0.0737985 -2.1138561 10 Te -1.8011972 -0.0658566 -0.1058871 -0.0525919 -3.0093293 -0.0630362 -0.0635748 -0.0737985 -2.1138561 11 Te -1.8011972 0.0658566 -0.1058871 0.0525919 -3.0093293 0.0630362 -0.0635748 0.0737985 -2.1138561 12 Te -1.8011972 -0.0658566 -0.1058871 -0.0525919 -3.0093293 -0.0630362 -0.0635748 -0.0737985 -2.1138561 13 Si 3.5115464 0.1193519 0.0483865 0.0514733 2.8361776 0.0715967 0.0144950 -0.0076688 3.4476382 14 Si 3.5115464 -0.1193519 0.0483865 -0.0514733 2.8361776 -0.0715967 0.0144950 0.0076688 3.4476382 15 Si 3.5115464 0.1193519 0.0483865 0.0514733 2.8361776 0.0715967 0.0144950 -0.0076688 3.4476382 16 Si 3.5115464 -0.1193519 0.0483865 -0.0514733 2.8361776 -0.0715967 0.0144950 0.0076688 3.4476382 17 O -2.6038939 0.1509474 -0.0147159 0.0993327 -1.8266225 0.1425696 0.0480661 0.1464199 -2.4351609 18 O -2.6038939 -0.1509474 -0.0147159 -0.0993327 -1.8266225 -0.1425696 0.0480661 -0.1464199 -2.4351609 19 O -2.6038939 0.1509474 -0.0147159 0.0993327 -1.8266225 0.1425696 0.0480661 0.1464199 -2.4351609 20 O -2.6038939 -0.1509474 -0.0147159 -0.0993327 -1.8266225 -0.1425696 0.0480661 -0.1464199 -2.4351609 21 O -2.5911332 0.0429036 0.0369496 0.0133526 -1.9000232 -0.3573219 0.1124618 -0.3382863 -2.5008943 22 O -2.5911332 -0.0429036 0.0369496 -0.0133526 -1.9000232 0.3573219 0.1124618 0.3382863 -2.5008943 23 O -2.5911332 0.0429036 0.0369496 0.0133526 -1.9000232 -0.3573219 0.1124618 -0.3382863 -2.5008943 24 O -2.5911332 -0.0429036 0.0369496 -0.0133526 -1.9000232 0.3573219 0.1124618 0.3382863 -2.5008943 25 O -2.3128192 0.1533310 -0.3195918 0.0441404 -2.6941944 -0.3684337 -0.3851730 -0.3254780 -1.9436778 26 O -2.3128192 -0.1533310 -0.3195918 -0.0441404 -2.6941944 0.3684337 -0.3851730 0.3254780 -1.9436778 27 O -2.3128192 0.1533310 -0.3195918 0.0441404 -2.6941944 -0.3684337 -0.3851730 -0.3254780 -1.9436778 28 O -2.3128192 -0.1533310 -0.3195918 -0.0441404 -2.6941944 0.3684337 -0.3851730 0.3254780 -1.9436778 29 O -2.3963953 0.0519970 0.1698482 0.0511496 -2.1194752 0.0218677 0.0818924 0.1262716 -2.5112194 30 O -2.3963953 -0.0519970 0.1698482 -0.0511496 -2.1194752 -0.0218677 0.0818924 -0.1262716 -2.5112194 31 O -2.3963953 0.0519970 0.1698482 0.0511496 -2.1194752 0.0218677 0.0818924 0.1262716 -2.5112194 32 O -2.3963953 -0.0519970 0.1698482 -0.0511496 -2.1194752 -0.0218677 0.0818924 -0.1262716 -2.5112194 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.635 ( 0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.871 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.705 ( 0.000 0.000 0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.993 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.337 ( 0.000 0.000 0.000) 0.000 8.994 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.377 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.985 ( 0.000 0.000 0.000) 0.000 12.153 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 12.784 ( 0.000 0.000 0.000) 0.000 12.922 ( 0.000 0.000 0.000) 0.000 13.019 ( 0.000 0.000 0.000) 0.000 13.539 ( 0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 14.139 ( 0.000 0.000 0.000) 0.000 14.313 ( 0.000 0.000 0.000) 0.000 14.388 ( 0.000 0.000 0.000) 0.000 14.477 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.798 ( 0.000 0.000 0.000) 0.000 15.949 ( 0.000 0.000 0.000) 0.000 16.323 ( 0.000 0.000 0.000) 0.000 16.959 ( 0.000 0.000 0.000) 0.000 24.485 ( 0.000 0.000 0.000) 0.000 24.533 ( 0.000 0.000 0.000) 0.000 24.603 ( 0.000 0.000 0.000) 0.000 24.653 ( 0.000 0.000 0.000) 0.000 25.970 ( 0.000 0.000 0.000) 0.000 26.072 ( 0.000 0.000 0.000) 0.000 26.155 ( 0.000 0.000 0.000) 0.000 26.286 ( 0.000 0.000 0.000) 0.000 26.693 ( 0.000 0.000 0.000) 0.000 26.713 ( 0.000 0.000 0.000) 0.000 27.075 ( 0.000 0.000 0.000) 0.000 27.232 ( 0.000 0.000 0.000) 0.000 28.493 ( 0.000 0.000 0.000) 0.000 28.780 ( 0.000 0.000 0.000) 0.000 29.112 ( 0.000 0.000 0.000) 0.000 29.737 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 21.016 0.000 -5.968) 21.847 0.457 ( 21.646 0.000 2.676) 21.811 0.837 ( 38.304 0.000 18.174) 42.397 1.637 ( -8.551 0.000 5.575) 10.208 1.715 ( -6.449 0.000 2.294) 6.845 1.786 ( -0.954 0.000 0.039) 0.955 1.809 ( 2.314 0.000 1.604) 2.815 1.874 ( -0.555 0.000 -0.730) 0.917 1.994 ( -4.684 0.000 0.447) 4.705 2.068 ( 2.680 0.000 -9.192) 9.575 2.185 ( -9.727 0.000 5.914) 11.384 2.224 ( 3.496 0.000 -0.838) 3.595 2.470 ( 2.508 0.000 -2.497) 3.539 2.643 ( 1.208 0.000 0.413) 1.277 2.859 ( 5.401 0.000 -6.660) 8.575 2.994 ( -7.115 0.000 -0.448) 7.129 3.113 ( -1.550 0.000 -3.747) 4.055 3.136 ( -2.095 0.000 0.634) 2.189 3.149 ( -1.959 0.000 7.245) 7.505 3.174 ( -1.057 0.000 0.464) 1.155 3.285 ( -14.074 0.000 -0.328) 14.078 3.353 ( -0.284 0.000 -3.892) 3.902 3.407 ( 0.276 0.000 -1.774) 1.795 3.434 ( -2.373 0.000 -2.913) 3.757 3.486 ( 6.096 0.000 3.012) 6.800 3.629 ( -8.972 0.000 -5.101) 10.321 3.633 ( 4.393 0.000 -6.677) 7.993 3.670 ( 0.536 0.000 2.993) 3.041 3.710 ( 1.572 0.000 -3.645) 3.969 3.803 ( 2.617 0.000 1.383) 2.960 3.983 ( -1.019 0.000 0.733) 1.255 4.067 ( -1.075 0.000 -0.901) 1.402 4.343 ( 14.228 0.000 10.187) 17.499 4.410 ( 1.264 0.000 0.936) 1.573 4.888 ( -2.141 0.000 -2.117) 3.011 5.061 ( 2.473 0.000 -16.823) 17.003 5.258 ( 1.108 0.000 0.025) 1.108 5.325 ( 0.010 0.000 -1.602) 1.602 5.368 ( -2.386 0.000 1.500) 2.818 5.498 ( -0.014 0.000 0.237) 0.237 5.907 ( -0.564 0.000 0.808) 0.985 6.464 ( 0.329 0.000 -0.848) 0.910 6.575 ( -0.500 0.000 -0.229) 0.550 6.783 ( 1.011 0.000 0.255) 1.042 6.975 ( 0.227 0.000 0.576) 0.619 7.095 ( 0.634 0.000 -0.097) 0.641 7.124 ( 0.157 0.000 3.299) 3.303 7.202 ( -1.151 0.000 0.466) 1.242 7.232 ( -0.793 0.000 4.275) 4.348 7.500 ( -0.017 0.000 -0.417) 0.417 7.651 ( 2.694 0.000 1.510) 3.088 8.081 ( -0.530 0.000 -0.320) 0.619 8.147 ( 0.675 0.000 0.166) 0.695 8.285 ( 3.180 0.000 -37.441) 37.576 8.310 ( -0.289 0.000 -0.928) 0.972 8.563 ( -5.713 0.000 41.896) 42.284 8.985 ( -0.690 0.000 -0.379) 0.787 9.266 ( -0.751 0.000 -1.241) 1.451 9.374 ( -0.320 0.000 1.370) 1.407 9.619 ( 0.283 0.000 -1.784) 1.806 10.281 ( -0.345 0.000 -0.124) 0.366 10.583 ( 0.133 0.000 0.687) 0.700 10.989 ( 0.255 0.000 0.168) 0.306 12.155 ( 0.039 0.000 -0.121) 0.128 12.574 ( -0.228 0.000 -0.246) 0.335 12.784 ( -0.137 0.000 0.214) 0.255 12.927 ( 0.420 0.000 0.345) 0.544 13.039 ( 1.676 0.000 0.224) 1.691 13.679 ( -0.884 0.000 2.836) 2.971 13.994 ( 1.662 0.000 0.867) 1.875 14.278 ( -2.903 0.000 -2.984) 4.163 14.403 ( 1.221 0.000 0.964) 1.556 14.480 ( 0.142 0.000 0.991) 1.001 14.898 ( 2.719 0.000 -41.197) 41.287 15.105 ( -0.277 0.000 -0.086) 0.290 15.484 ( 0.162 0.000 -0.320) 0.359 15.951 ( 0.153 0.000 -0.495) 0.518 15.995 ( -3.180 0.000 37.995) 38.128 16.324 ( -0.035 0.000 0.807) 0.808 16.955 ( -0.246 0.000 -0.284) 0.376 24.480 ( -0.549 0.000 0.127) 0.564 24.534 ( 0.091 0.000 0.245) 0.262 24.600 ( -0.209 0.000 -0.255) 0.330 24.659 ( 0.489 0.000 0.080) 0.495 26.071 ( -0.126 0.000 0.523) 0.538 26.165 ( 0.849 0.000 -0.734) 1.122 26.242 ( -1.151 0.000 9.753) 9.821 26.290 ( 0.206 0.000 1.423) 1.438 26.694 ( 0.044 0.000 0.056) 0.072 26.717 ( 0.356 0.000 0.192) 0.404 27.231 ( -0.041 0.000 -0.008) 0.042 27.854 ( 3.932 0.000 -51.253) 51.404 28.493 ( 0.032 0.000 -0.011) 0.033 29.008 ( -2.951 0.000 35.133) 35.257 29.116 ( 0.408 0.000 -0.155) 0.437 29.731 ( -0.574 0.000 0.271) 0.635 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 14.227 0.000 -4.800) 15.015 0.861 ( 15.597 0.000 1.807) 15.701 1.394 ( -8.747 0.000 9.192) 12.689 1.456 ( -12.964 0.000 -1.296) 13.029 1.576 ( 22.907 0.000 10.669) 25.269 1.787 ( -0.088 0.000 -2.828) 2.830 1.871 ( 1.368 0.000 1.199) 1.819 1.913 ( -0.491 0.000 2.605) 2.651 1.980 ( 5.987 0.000 2.674) 6.557 2.032 ( -4.754 0.000 2.960) 5.601 2.165 ( 8.280 0.000 -7.538) 11.198 2.247 ( -0.239 0.000 0.239) 0.338 2.412 ( -5.259 0.000 -4.264) 6.771 2.588 ( -26.229 0.000 -4.420) 26.599 2.682 ( 1.776 0.000 0.835) 1.963 3.005 ( 8.131 0.000 -5.726) 9.945 3.069 ( -0.624 0.000 -0.821) 1.031 3.091 ( -2.159 0.000 0.968) 2.366 3.122 ( -3.151 0.000 5.888) 6.679 3.132 ( -0.336 0.000 0.216) 0.399 3.178 ( -0.238 0.000 -0.797) 0.832 3.337 ( -0.596 0.000 -0.859) 1.045 3.410 ( -3.264 0.000 0.427) 3.292 3.462 ( 4.594 0.000 -5.366) 7.064 3.491 ( -2.010 0.000 -3.109) 3.702 3.557 ( -1.373 0.000 5.102) 5.284 3.606 ( -0.175 0.000 -0.864) 0.881 3.725 ( 0.336 0.000 -0.753) 0.825 3.780 ( 4.337 0.000 -2.893) 5.213 3.847 ( 1.227 0.000 0.706) 1.415 3.958 ( -1.292 0.000 1.146) 1.727 4.042 ( -0.841 0.000 -0.014) 0.841 4.440 ( 1.076 0.000 0.503) 1.187 4.578 ( 6.751 0.000 4.477) 8.100 4.830 ( -2.608 0.000 -1.152) 2.851 5.081 ( 0.977 0.000 -4.450) 4.556 5.281 ( 0.756 0.000 0.026) 0.757 5.312 ( -1.119 0.000 -1.081) 1.556 5.332 ( -0.554 0.000 1.087) 1.220 5.498 ( -0.010 0.000 0.142) 0.143 5.897 ( -0.339 0.000 0.229) 0.409 6.469 ( 0.255 0.000 -0.584) 0.637 6.564 ( -0.353 0.000 -0.070) 0.360 6.801 ( 0.571 0.000 0.148) 0.590 6.980 ( 0.162 0.000 0.306) 0.346 7.108 ( 0.512 0.000 -0.233) 0.562 7.135 ( 0.280 0.000 2.500) 2.516 7.179 ( -0.884 0.000 0.500) 1.016 7.220 ( -0.386 0.000 -1.247) 1.305 7.499 ( -0.008 0.000 -0.262) 0.263 7.707 ( 1.859 0.000 0.814) 2.030 8.073 ( -0.187 0.000 -0.180) 0.260 8.161 ( 0.458 0.000 0.101) 0.469 8.289 ( 1.482 0.000 -14.784) 14.858 8.299 ( -1.000 0.000 4.559) 4.667 8.517 ( -2.429 0.000 11.082) 11.345 8.971 ( -0.456 0.000 -0.239) 0.515 9.249 ( -0.495 0.000 -0.672) 0.834 9.371 ( -0.166 0.000 0.761) 0.779 9.622 ( 0.113 0.000 -0.351) 0.369 10.274 ( -0.209 0.000 -0.077) 0.223 10.587 ( 0.085 0.000 0.416) 0.425 10.994 ( 0.155 0.000 0.103) 0.186 12.156 ( 0.024 0.000 -0.018) 0.030 12.570 ( -0.144 0.000 -0.156) 0.213 12.782 ( -0.081 0.000 0.096) 0.126 12.936 ( 0.291 0.000 0.184) 0.344 13.070 ( 0.993 0.000 0.177) 1.009 13.667 ( -0.425 0.000 0.534) 0.683 14.040 ( 2.054 0.000 1.279) 2.420 14.207 ( -2.778 0.000 -2.479) 3.723 14.428 ( 0.760 0.000 0.630) 0.987 14.484 ( 0.057 0.000 0.500) 0.503 14.886 ( 0.389 0.000 -9.945) 9.953 15.099 ( -0.174 0.000 -0.053) 0.182 15.486 ( 0.098 0.000 -0.196) 0.219 15.953 ( 0.108 0.000 -0.373) 0.388 15.993 ( -0.816 0.000 9.282) 9.318 16.324 ( -0.028 0.000 0.496) 0.497 16.950 ( -0.149 0.000 -0.178) 0.232 24.470 ( -0.302 0.000 -0.003) 0.302 24.537 ( 0.071 0.000 0.171) 0.186 24.596 ( -0.144 0.000 -0.178) 0.229 24.668 ( 0.272 0.000 0.044) 0.276 26.069 ( -0.044 0.000 0.271) 0.275 26.179 ( 0.489 0.000 -0.401) 0.632 26.236 ( -0.338 0.000 1.994) 2.022 26.295 ( 0.102 0.000 0.637) 0.645 26.695 ( 0.028 0.000 0.035) 0.045 26.724 ( 0.222 0.000 0.120) 0.252 27.230 ( -0.026 0.000 -0.005) 0.026 27.849 ( 0.839 0.000 -12.158) 12.187 28.494 ( 0.020 0.000 -0.007) 0.021 29.006 ( -0.731 0.000 8.295) 8.327 29.124 ( 0.261 0.000 -0.100) 0.279 29.720 ( -0.363 0.000 0.172) 0.402 ======================= Grid point 5 (4/80) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 0.000 22.957 0.000) 22.957 0.510 ( 0.000 25.473 0.000) 25.473 1.025 ( 0.000 49.179 0.000) 49.179 1.723 ( 0.000 7.773 0.000) 7.773 1.768 ( 0.000 -0.647 0.000) 0.647 1.833 ( 0.000 2.964 0.000) 2.964 1.841 ( 0.000 0.477 0.000) 0.477 1.955 ( 0.000 7.118 0.000) 7.118 2.022 ( 0.000 4.013 0.000) 4.013 2.076 ( 0.000 -4.993 0.000) 4.993 2.139 ( 0.000 6.651 0.000) 6.651 2.397 ( 0.000 4.064 0.000) 4.064 2.400 ( 0.000 2.713 0.000) 2.713 2.625 ( 0.000 -1.500 0.000) 1.500 2.815 ( 0.000 0.260 0.000) 0.260 2.875 ( 0.000 0.293 0.000) 0.293 3.028 ( 0.000 -1.327 0.000) 1.327 3.091 ( 0.000 -0.591 0.000) 0.591 3.169 ( 0.000 0.873 0.000) 0.873 3.250 ( 0.000 -5.287 0.000) 5.287 3.277 ( 0.000 1.650 0.000) 1.650 3.383 ( 0.000 -0.778 0.000) 0.778 3.511 ( 0.000 0.972 0.000) 0.972 3.514 ( 0.000 3.694 0.000) 3.694 3.551 ( 0.000 7.610 0.000) 7.610 3.588 ( 0.000 -0.412 0.000) 0.412 3.629 ( 0.000 1.438 0.000) 1.438 3.727 ( 0.000 -3.205 0.000) 3.205 3.843 ( 0.000 -2.703 0.000) 2.703 3.871 ( 0.000 0.567 0.000) 0.567 4.004 ( 0.000 2.160 0.000) 2.160 4.099 ( 0.000 6.580 0.000) 6.580 4.250 ( 0.000 8.759 0.000) 8.759 4.461 ( 0.000 4.415 0.000) 4.415 4.741 ( 0.000 -1.353 0.000) 1.353 4.894 ( 0.000 -0.990 0.000) 0.990 5.207 ( 0.000 -2.646 0.000) 2.646 5.411 ( 0.000 3.308 0.000) 3.308 5.442 ( 0.000 -1.397 0.000) 1.397 5.479 ( 0.000 4.392 0.000) 4.392 6.020 ( 0.000 9.729 0.000) 9.729 6.580 ( 0.000 -0.623 0.000) 0.623 6.583 ( 0.000 -6.041 0.000) 6.041 6.669 ( 0.000 -3.995 0.000) 3.995 6.720 ( 0.000 -1.952 0.000) 1.952 6.921 ( 0.000 -4.900 0.000) 4.900 7.126 ( 0.000 -6.272 0.000) 6.272 7.222 ( 0.000 6.653 0.000) 6.653 7.337 ( 0.000 3.356 0.000) 3.356 7.552 ( 0.000 4.699 0.000) 4.699 7.608 ( 0.000 -0.828 0.000) 0.828 7.964 ( 0.000 -8.213 0.000) 8.213 8.120 ( 0.000 -1.936 0.000) 1.936 8.272 ( 0.000 -3.343 0.000) 3.343 8.334 ( 0.000 -0.006 0.000) 0.006 8.386 ( 0.000 4.193 0.000) 4.193 9.044 ( 0.000 4.449 0.000) 4.449 9.255 ( 0.000 -1.926 0.000) 1.926 9.384 ( 0.000 -0.347 0.000) 0.347 9.619 ( 0.000 -0.014 0.000) 0.014 10.256 ( 0.000 -2.720 0.000) 2.720 10.589 ( 0.000 -9.990 0.000) 9.990 11.086 ( 0.000 8.026 0.000) 8.026 12.086 ( 0.000 -6.212 0.000) 6.212 12.542 ( 0.000 -3.449 0.000) 3.449 12.711 ( 0.000 -7.005 0.000) 7.005 13.068 ( 0.000 4.537 0.000) 4.537 13.425 ( 0.000 4.239 0.000) 4.239 13.575 ( 0.000 3.786 0.000) 3.786 14.030 ( 0.000 -1.531 0.000) 1.531 14.134 ( 0.000 -0.581 0.000) 0.581 14.165 ( 0.000 -14.025 0.000) 14.025 14.317 ( 0.000 0.424 0.000) 0.424 14.618 ( 0.000 6.161 0.000) 6.161 15.111 ( 0.000 0.260 0.000) 0.260 15.460 ( 0.000 -2.267 0.000) 2.267 15.813 ( 0.000 1.567 0.000) 1.567 15.947 ( 0.000 -0.153 0.000) 0.153 16.371 ( 0.000 2.981 0.000) 2.981 16.947 ( 0.000 -1.299 0.000) 1.299 24.468 ( 0.000 -1.191 0.000) 1.191 24.567 ( 0.000 -0.582 0.000) 0.582 24.630 ( 0.000 2.204 0.000) 2.204 24.656 ( 0.000 0.353 0.000) 0.353 25.962 ( 0.000 -0.659 0.000) 0.659 26.084 ( 0.000 1.159 0.000) 1.159 26.212 ( 0.000 -0.347 0.000) 0.347 26.257 ( 0.000 -2.990 0.000) 2.990 26.656 ( 0.000 -4.271 0.000) 4.271 26.934 ( 0.000 -8.894 0.000) 8.894 27.392 ( 0.000 10.793 0.000) 10.793 27.464 ( 0.000 9.126 0.000) 9.126 28.513 ( 0.000 2.013 0.000) 2.013 28.826 ( 0.000 4.522 0.000) 4.522 29.085 ( 0.000 -2.743 0.000) 2.743 29.757 ( 0.000 -4.799 0.000) 4.799 ======================= Grid point 6 (5/80) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 10.478 16.635 1.818) 19.744 0.757 ( 18.534 17.549 3.255) 25.731 1.257 ( 18.589 34.283 8.107) 39.832 1.646 ( -9.425 1.440 2.404) 9.833 1.712 ( 1.445 -0.022 1.481) 2.069 1.832 ( -8.911 7.687 0.389) 11.774 1.894 ( 1.745 3.714 3.336) 5.288 1.927 ( 2.590 6.073 -0.211) 6.606 2.018 ( -6.305 2.485 1.662) 6.978 2.049 ( 3.396 0.504 -5.020) 6.082 2.175 ( 4.629 -1.614 -3.471) 6.007 2.207 ( -9.227 1.289 5.991) 11.076 2.505 ( 1.112 1.833 -3.423) 4.039 2.649 ( 2.100 2.461 0.985) 3.382 2.835 ( 4.203 -2.767 -3.792) 6.301 2.937 ( -0.845 -3.154 1.274) 3.505 3.037 ( 1.256 -2.700 0.075) 2.979 3.121 ( -0.709 -1.236 -0.460) 1.498 3.127 ( -1.215 -0.515 0.692) 1.490 3.193 ( 0.143 1.741 -2.683) 3.202 3.358 ( -3.158 2.245 0.778) 3.952 3.365 ( -3.904 -0.119 -1.200) 4.086 3.434 ( -3.127 1.199 1.278) 3.584 3.440 ( -1.145 2.735 -4.831) 5.668 3.534 ( -3.500 1.066 -1.859) 4.104 3.629 ( -3.493 2.458 -2.575) 4.987 3.634 ( 2.506 3.124 0.578) 4.047 3.678 ( 1.393 0.983 -4.219) 4.550 3.759 ( 2.742 -0.040 2.213) 3.524 3.883 ( -5.798 7.888 -4.409) 10.737 4.048 ( 0.421 4.211 2.729) 5.035 4.125 ( -2.841 5.149 -0.294) 5.888 4.265 ( 12.996 -3.323 4.979) 14.308 4.450 ( 0.429 4.152 1.495) 4.433 4.837 ( 0.156 -4.759 -3.692) 6.025 4.961 ( 6.788 -2.812 -3.598) 8.181 5.189 ( -1.245 -2.134 -0.588) 2.540 5.408 ( -0.648 3.745 -2.081) 4.333 5.441 ( -0.712 1.044 5.638) 5.778 5.470 ( -0.194 2.087 -2.654) 3.382 6.019 ( -0.155 9.944 0.395) 9.953 6.453 ( -2.613 -2.229 -1.104) 3.608 6.581 ( -0.302 0.610 -1.204) 1.383 6.722 ( 0.326 -2.771 -1.136) 3.012 6.804 ( 2.235 -10.714 5.267) 12.146 7.039 ( 5.487 -3.498 -1.204) 6.617 7.109 ( -1.038 -5.814 -1.513) 6.097 7.213 ( -0.914 -0.636 4.111) 4.259 7.401 ( 4.218 7.500 4.352) 9.642 7.538 ( -0.649 6.928 -5.135) 8.648 7.640 ( 2.478 -0.839 0.962) 2.787 8.049 ( 5.346 -7.824 -3.201) 10.002 8.130 ( 0.819 -1.857 -0.142) 2.035 8.263 ( -0.740 -3.475 0.458) 3.583 8.310 ( 0.087 3.324 -22.880) 23.121 8.412 ( -1.621 -5.158 28.770) 29.274 9.036 ( -0.612 4.500 -0.548) 4.574 9.248 ( -0.687 -1.841 -0.060) 1.966 9.371 ( -0.830 -0.434 0.706) 1.173 9.621 ( 0.194 -0.169 -0.720) 0.765 10.259 ( 0.098 -2.385 -0.557) 2.452 10.555 ( -1.870 -6.207 0.822) 6.535 11.055 ( -1.335 7.405 -0.330) 7.531 12.087 ( 0.091 -6.236 0.090) 6.237 12.539 ( -0.171 -3.389 -0.288) 3.405 12.710 ( -0.159 -7.082 0.129) 7.085 13.084 ( 1.327 4.200 -0.180) 4.409 13.134 ( -8.161 14.815 0.693) 16.928 13.691 ( 1.037 1.853 2.117) 2.998 13.988 ( 0.928 -0.804 0.617) 1.374 14.166 ( 0.594 -14.887 -0.302) 14.902 14.278 ( -2.606 -0.535 -2.249) 3.483 14.578 ( 16.012 -15.225 -16.946) 27.845 14.634 ( 2.595 3.117 2.884) 4.976 15.108 ( -0.267 0.241 0.064) 0.365 15.459 ( -0.060 -2.410 0.592) 2.482 15.880 ( 2.849 -3.226 15.572) 16.156 15.948 ( 0.251 -0.436 -1.706) 1.778 16.362 ( -0.683 3.201 0.981) 3.417 16.944 ( -0.196 -1.274 -0.494) 1.380 24.464 ( -0.367 -1.132 0.000) 1.190 24.547 ( -0.879 0.392 0.153) 0.975 24.625 ( -0.320 2.087 -0.189) 2.119 24.660 ( 0.350 0.189 0.053) 0.402 26.035 ( 2.822 -4.369 1.911) 5.541 26.098 ( 1.602 -0.811 0.852) 1.988 26.220 ( 0.207 -0.822 2.886) 3.007 26.249 ( -0.292 -2.911 -1.945) 3.513 26.591 ( -2.958 -2.110 0.649) 3.691 27.017 ( 4.191 -0.588 2.936) 5.151 27.234 ( -5.205 11.327 0.364) 12.471 27.692 ( 9.758 -4.892 -22.951) 25.414 28.513 ( 0.038 1.999 -0.242) 2.014 28.905 ( 3.433 -1.171 14.363) 14.814 29.094 ( 0.759 -2.676 0.397) 2.810 29.721 ( -2.344 -3.251 -0.108) 4.010 ======================= Grid point 7 (6/80) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( 12.678 6.548 -0.206) 14.271 1.129 ( 15.778 17.547 -1.777) 23.664 1.355 ( -9.405 0.629 7.984) 12.352 1.519 ( -13.799 8.148 -1.432) 16.089 1.709 ( 5.505 3.732 6.019) 8.970 1.792 ( 0.503 3.130 -2.257) 3.891 1.893 ( 8.070 6.693 4.228) 11.305 1.943 ( -1.465 0.748 1.983) 2.577 2.052 ( -2.348 2.002 2.953) 4.271 2.085 ( 2.450 6.064 2.329) 6.943 2.130 ( 4.378 0.145 -5.349) 6.914 2.249 ( 6.142 3.555 0.134) 7.098 2.446 ( -4.190 2.528 -2.552) 5.519 2.584 ( -12.165 3.163 -4.216) 13.258 2.858 ( -2.177 9.843 0.376) 10.088 2.962 ( 5.982 -5.403 -4.629) 9.295 3.064 ( 0.979 -2.554 0.582) 2.797 3.079 ( -0.559 0.168 0.722) 0.928 3.114 ( -6.767 4.421 -0.606) 8.106 3.133 ( -1.614 -0.455 2.044) 2.644 3.207 ( -0.362 2.507 -0.622) 2.609 3.315 ( -1.471 -1.497 0.515) 2.161 3.440 ( -0.393 -0.061 3.701) 3.722 3.465 ( -2.124 -1.305 -4.534) 5.174 3.495 ( 4.474 0.776 -2.935) 5.407 3.569 ( -2.414 -0.398 -1.129) 2.695 3.632 ( -1.415 8.376 0.416) 8.505 3.731 ( 2.642 -0.841 -2.141) 3.503 3.780 ( -1.005 2.830 1.086) 3.194 3.866 ( 1.996 4.188 -2.056) 5.074 4.037 ( -0.437 5.985 0.630) 6.034 4.105 ( -0.300 3.951 1.036) 4.096 4.459 ( 2.844 -2.892 1.190) 4.227 4.479 ( 3.240 -2.382 2.068) 4.522 4.813 ( -1.087 -2.165 -0.788) 2.547 5.062 ( 3.425 -0.925 -2.177) 4.163 5.158 ( -1.604 -4.020 0.198) 4.333 5.374 ( -1.460 5.759 -0.912) 6.011 5.448 ( 0.172 -1.145 5.520) 5.640 5.464 ( 0.085 3.193 -4.326) 5.378 6.017 ( -0.101 10.362 0.172) 10.364 6.430 ( -0.272 -3.683 -0.258) 3.702 6.574 ( -0.164 0.920 -0.470) 1.046 6.726 ( 0.159 -3.363 -0.677) 3.434 6.834 ( 0.551 -10.185 1.738) 10.347 7.067 ( -0.649 -7.061 1.278) 7.205 7.113 ( 0.980 5.008 -2.862) 5.851 7.205 ( -0.317 -5.813 1.894) 6.122 7.473 ( 1.769 5.495 5.617) 8.055 7.515 ( -0.636 12.393 -6.114) 13.833 7.690 ( 1.668 -1.687 0.694) 2.472 8.131 ( 2.860 0.077 -0.831) 2.979 8.148 ( 0.940 0.737 0.927) 1.512 8.251 ( -0.542 -3.749 2.238) 4.400 8.259 ( -1.969 -2.277 -11.296) 11.690 8.409 ( -1.165 -6.490 10.040) 12.011 9.024 ( -0.398 4.596 -0.346) 4.626 9.233 ( -0.531 -1.669 -0.232) 1.767 9.361 ( -0.266 -0.921 0.583) 1.122 9.623 ( 0.071 -0.296 -0.257) 0.398 10.257 ( -0.110 -1.785 -0.285) 1.811 10.535 ( -0.378 -5.574 0.501) 5.609 11.042 ( -0.144 5.479 -0.064) 5.482 12.089 ( 0.052 -6.226 0.056) 6.227 12.536 ( -0.105 -3.291 -0.189) 3.298 12.707 ( -0.104 -7.160 0.083) 7.161 13.057 ( -1.179 11.219 0.113) 11.281 13.110 ( 0.785 3.625 0.225) 3.716 13.695 ( -0.171 3.036 0.501) 3.082 14.024 ( 1.710 -1.669 1.091) 2.627 14.178 ( 0.585 -14.535 -0.922) 14.576 14.213 ( -2.632 -0.264 -1.029) 2.838 14.638 ( 0.535 5.857 -0.149) 5.883 14.759 ( 3.309 -11.158 -5.525) 12.884 15.103 ( -0.175 0.241 -0.002) 0.298 15.460 ( 0.033 -2.649 0.197) 2.657 15.932 ( 0.408 -1.959 7.655) 7.912 15.951 ( 0.369 -2.152 -2.023) 2.977 16.353 ( -0.241 2.911 0.492) 2.962 16.940 ( -0.138 -1.227 -0.258) 1.262 24.457 ( -0.222 -0.973 -0.014) 0.998 24.539 ( -0.098 0.081 0.151) 0.197 24.619 ( -0.195 1.989 -0.141) 2.003 24.667 ( 0.196 -0.071 0.024) 0.210 26.059 ( 0.245 -1.288 0.381) 1.365 26.135 ( 1.153 -3.965 0.479) 4.157 26.217 ( -0.530 -1.649 1.339) 2.189 26.250 ( 0.307 -2.498 -0.805) 2.643 26.559 ( -0.569 -2.412 0.079) 2.479 27.086 ( 2.183 14.007 3.066) 14.503 27.162 ( -2.211 -0.952 -2.203) 3.263 27.774 ( 2.104 -4.171 -8.310) 9.533 28.513 ( 0.026 1.983 -0.090) 1.985 28.962 ( 0.734 -1.582 5.170) 5.456 29.109 ( 0.426 -2.210 0.437) 2.293 29.687 ( -0.874 -3.566 -0.062) 3.672 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 19.576 0.000) 19.576 0.972 ( 0.000 21.605 0.000) 21.605 1.710 ( 0.000 -1.262 0.000) 1.262 1.765 ( 0.000 14.165 0.000) 14.165 1.806 ( 0.000 2.847 0.000) 2.847 1.923 ( 0.000 5.296 0.000) 5.296 2.004 ( 0.000 12.610 0.000) 12.610 2.035 ( 0.000 6.469 0.000) 6.469 2.103 ( 0.000 4.984 0.000) 4.984 2.135 ( 0.000 11.220 0.000) 11.220 2.271 ( 0.000 6.032 0.000) 6.032 2.450 ( 0.000 3.050 0.000) 3.050 2.517 ( 0.000 7.816 0.000) 7.816 2.625 ( 0.000 1.317 0.000) 1.317 2.815 ( 0.000 -0.235 0.000) 0.235 2.876 ( 0.000 -0.123 0.000) 0.123 3.025 ( 0.000 2.460 0.000) 2.460 3.106 ( 0.000 0.926 0.000) 0.926 3.150 ( 0.000 -3.819 0.000) 3.819 3.206 ( 0.000 2.159 0.000) 2.159 3.279 ( 0.000 -0.949 0.000) 0.949 3.355 ( 0.000 -2.025 0.000) 2.025 3.506 ( 0.000 -2.144 0.000) 2.144 3.596 ( 0.000 3.457 0.000) 3.457 3.599 ( 0.000 1.711 0.000) 1.711 3.614 ( 0.000 -1.983 0.000) 1.983 3.639 ( 0.000 2.226 0.000) 2.226 3.653 ( 0.000 -3.556 0.000) 3.556 3.852 ( 0.000 -0.521 0.000) 0.521 3.880 ( 0.000 5.445 0.000) 5.445 4.172 ( 0.000 9.958 0.000) 9.958 4.189 ( 0.000 2.011 0.000) 2.011 4.444 ( 0.000 12.125 0.000) 12.125 4.601 ( 0.000 10.394 0.000) 10.394 4.704 ( 0.000 -0.820 0.000) 0.820 4.937 ( 0.000 4.820 0.000) 4.820 5.164 ( 0.000 -1.790 0.000) 1.790 5.367 ( 0.000 -4.780 0.000) 4.780 5.446 ( 0.000 -0.215 0.000) 0.215 5.616 ( 0.000 6.656 0.000) 6.656 6.233 ( 0.000 11.052 0.000) 11.052 6.466 ( 0.000 -4.459 0.000) 4.459 6.533 ( 0.000 -2.897 0.000) 2.897 6.640 ( 0.000 0.627 0.000) 0.627 6.706 ( 0.000 -0.415 0.000) 0.415 6.795 ( 0.000 -7.348 0.000) 7.348 7.002 ( 0.000 -6.088 0.000) 6.088 7.272 ( 0.000 -2.341 0.000) 2.341 7.370 ( 0.000 -0.036 0.000) 0.036 7.577 ( 0.000 -3.514 0.000) 3.514 7.659 ( 0.000 6.082 0.000) 6.082 7.884 ( 0.000 1.583 0.000) 1.583 8.071 ( 0.000 -2.744 0.000) 2.744 8.211 ( 0.000 -2.402 0.000) 2.402 8.342 ( 0.000 0.702 0.000) 0.702 8.396 ( 0.000 -3.631 0.000) 3.631 9.137 ( 0.000 4.689 0.000) 4.689 9.211 ( 0.000 -2.316 0.000) 2.316 9.367 ( 0.000 -1.667 0.000) 1.667 9.592 ( 0.000 -3.167 0.000) 3.167 10.196 ( 0.000 -3.041 0.000) 3.041 10.388 ( 0.000 -9.770 0.000) 9.770 11.259 ( 0.000 9.620 0.000) 9.620 11.946 ( 0.000 -7.561 0.000) 7.561 12.457 ( 0.000 -4.889 0.000) 4.889 12.543 ( 0.000 -9.325 0.000) 9.325 13.171 ( 0.000 5.678 0.000) 5.678 13.535 ( 0.000 6.660 0.000) 6.660 13.678 ( 0.000 6.205 0.000) 6.205 13.870 ( 0.000 -13.259 0.000) 13.259 14.020 ( 0.000 -1.875 0.000) 1.875 14.112 ( 0.000 -1.952 0.000) 1.952 14.336 ( 0.000 1.763 0.000) 1.763 14.677 ( 0.000 -0.035 0.000) 0.035 15.120 ( 0.000 0.810 0.000) 0.810 15.397 ( 0.000 -4.152 0.000) 4.152 15.854 ( 0.000 2.433 0.000) 2.433 15.947 ( 0.000 0.174 0.000) 0.174 16.451 ( 0.000 5.107 0.000) 5.107 16.902 ( 0.000 -3.406 0.000) 3.406 24.453 ( 0.000 -0.253 0.000) 0.253 24.548 ( 0.000 -1.270 0.000) 1.270 24.668 ( 0.000 0.804 0.000) 0.804 24.671 ( 0.000 1.835 0.000) 1.835 25.952 ( 0.000 -0.135 0.000) 0.135 26.112 ( 0.000 1.603 0.000) 1.603 26.173 ( 0.000 -5.183 0.000) 5.183 26.203 ( 0.000 -0.617 0.000) 0.617 26.594 ( 0.000 -1.760 0.000) 1.760 26.782 ( 0.000 -6.656 0.000) 6.656 27.592 ( 0.000 9.444 0.000) 9.444 27.652 ( 0.000 9.191 0.000) 9.191 28.570 ( 0.000 3.863 0.000) 3.863 28.944 ( 0.000 7.064 0.000) 7.064 29.011 ( 0.000 -4.452 0.000) 4.452 29.630 ( 0.000 -8.002 0.000) 8.002 ======================= Grid point 11 (8/80) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 2.609 16.943 3.485) 17.494 1.090 ( 11.695 15.976 4.035) 20.206 1.598 ( -8.933 1.000 1.761) 9.160 1.772 ( -1.080 4.084 -5.178) 6.683 1.868 ( 6.768 10.770 1.691) 12.832 1.898 ( -1.501 2.088 0.758) 2.681 1.987 ( -1.872 3.207 3.419) 5.047 2.021 ( -1.583 9.134 4.047) 10.115 2.118 ( -10.782 10.255 1.120) 14.922 2.169 ( -0.374 3.985 1.267) 4.198 2.209 ( 3.698 6.880 -3.257) 8.462 2.332 ( 0.330 14.558 4.308) 15.186 2.528 ( 0.567 1.584 -2.757) 3.230 2.723 ( 2.200 1.989 1.043) 3.144 2.792 ( -0.069 -1.128 -0.673) 1.316 2.908 ( 1.406 -0.699 -0.658) 1.702 3.003 ( -0.685 0.772 -0.938) 1.395 3.088 ( -2.614 -3.116 -2.176) 4.613 3.125 ( 0.864 1.604 -0.070) 1.824 3.225 ( 0.737 1.060 -2.806) 3.089 3.308 ( 1.346 -4.345 -0.393) 4.566 3.341 ( -1.683 -1.184 0.967) 2.273 3.459 ( -0.219 -0.480 -4.378) 4.410 3.537 ( -5.487 5.719 -1.390) 8.047 3.562 ( -3.289 1.444 1.433) 3.867 3.600 ( -1.629 -1.367 -1.520) 2.614 3.698 ( 5.563 2.001 -0.667) 5.949 3.763 ( 6.724 2.106 2.314) 7.417 3.819 ( 0.131 9.259 -5.497) 10.769 3.977 ( 3.011 -1.453 2.515) 4.184 4.142 ( -1.155 7.312 -0.546) 7.423 4.208 ( -1.116 1.665 1.398) 2.444 4.352 ( -2.293 13.283 -2.531) 13.715 4.582 ( -0.827 9.627 3.301) 10.211 4.753 ( 1.523 -2.517 -3.615) 4.660 4.974 ( 3.129 2.184 1.540) 4.114 5.163 ( -0.715 -0.729 0.140) 1.031 5.358 ( -0.083 -4.980 5.496) 7.417 5.478 ( 2.128 0.980 -3.744) 4.417 5.594 ( -1.979 7.052 -0.086) 7.325 6.235 ( 0.120 11.131 0.376) 11.138 6.402 ( -2.894 -1.797 -0.773) 3.493 6.576 ( 1.661 -2.241 -3.255) 4.287 6.648 ( 0.055 -2.925 7.891) 8.416 6.711 ( 0.269 -0.614 -1.182) 1.359 6.861 ( 5.031 -10.893 -3.206) 12.419 6.980 ( -1.586 -6.462 -0.361) 6.664 7.219 ( -2.792 -1.628 0.379) 3.255 7.454 ( 4.344 -0.600 2.237) 4.923 7.599 ( 1.559 -2.818 -0.534) 3.265 7.714 ( 4.991 7.325 -2.977) 9.350 7.914 ( 2.863 -1.946 3.746) 5.101 8.080 ( 0.869 -2.844 -0.671) 3.049 8.202 ( -0.674 -2.360 -1.381) 2.816 8.348 ( 0.543 0.735 -1.236) 1.538 8.370 ( -2.806 -2.758 3.746) 5.432 9.129 ( -0.526 4.670 -1.122) 4.832 9.205 ( -0.628 -2.294 0.507) 2.432 9.353 ( -1.133 -1.660 0.390) 2.047 9.591 ( -0.019 -3.290 -0.348) 3.309 10.203 ( 0.605 -2.891 -0.444) 2.986 10.389 ( 0.037 -9.070 0.614) 9.091 11.232 ( -2.002 10.206 -0.202) 10.402 11.947 ( 0.065 -7.597 0.115) 7.598 12.456 ( -0.049 -4.838 -0.537) 4.868 12.541 ( -0.181 -9.279 0.252) 9.284 13.179 ( 0.727 5.310 -0.119) 5.361 13.401 ( -6.830 12.516 0.881) 14.286 13.759 ( 2.674 4.583 1.081) 5.415 13.872 ( 0.184 -13.181 0.525) 13.192 13.975 ( -0.334 -1.829 -0.086) 1.862 14.226 ( 2.197 -5.611 -3.111) 6.781 14.388 ( 7.896 -2.385 -3.728) 9.052 14.685 ( 0.415 -0.166 2.269) 2.313 15.117 ( -0.274 0.818 -0.061) 0.865 15.394 ( -0.254 -4.182 0.485) 4.218 15.873 ( 1.334 1.330 4.098) 4.510 15.945 ( -0.162 0.098 -1.170) 1.185 16.444 ( -0.627 5.187 0.609) 5.260 16.900 ( -0.163 -3.403 -0.461) 3.438 24.450 ( -0.228 -0.170 0.005) 0.285 24.541 ( -0.522 -0.859 0.227) 1.030 24.663 ( -0.289 1.365 -0.223) 1.413 24.670 ( -0.101 1.057 0.012) 1.062 25.977 ( 1.890 -1.595 1.120) 2.715 26.096 ( -1.227 -0.678 -0.960) 1.699 26.180 ( 0.421 -2.890 0.504) 2.964 26.210 ( 0.534 -0.748 0.380) 0.995 26.568 ( -1.581 -0.283 0.497) 1.682 26.843 ( 4.353 -9.574 -0.694) 10.540 27.537 ( -3.204 14.020 5.225) 15.302 27.717 ( 4.288 4.615 -9.720) 11.583 28.570 ( 0.036 3.877 -0.333) 3.892 28.962 ( 1.038 4.759 3.138) 5.794 29.023 ( 1.071 -3.690 1.069) 3.988 29.611 ( -1.482 -7.435 -0.320) 7.588 ======================= Grid point 12 (9/80) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 4.755 8.719 1.638) 10.066 1.344 ( 5.721 3.563 6.684) 9.492 1.430 ( -1.591 8.216 -4.019) 9.283 1.703 ( -6.064 6.288 -1.863) 8.932 1.803 ( -4.298 7.150 1.414) 8.461 1.906 ( -4.785 8.241 -0.611) 9.549 1.976 ( -0.553 2.549 3.292) 4.200 2.015 ( 1.875 2.555 -1.675) 3.584 2.030 ( 0.271 0.015 2.166) 2.183 2.127 ( 1.686 6.143 5.205) 8.226 2.295 ( 4.705 11.150 -2.902) 12.445 2.468 ( 3.719 12.645 1.633) 13.281 2.491 ( 0.297 2.551 1.502) 2.975 2.656 ( -7.192 2.814 -3.770) 8.594 2.826 ( 2.353 -6.403 -1.693) 7.029 2.927 ( 0.718 -3.755 0.373) 3.841 3.032 ( 3.646 0.981 0.208) 3.782 3.088 ( 1.613 -0.286 -1.742) 2.391 3.143 ( 1.169 3.022 0.365) 3.261 3.203 ( -2.417 -0.383 -3.553) 4.314 3.286 ( -1.724 0.330 -0.573) 1.846 3.316 ( -2.904 2.155 2.180) 4.222 3.367 ( -6.112 3.113 1.438) 7.008 3.482 ( 0.785 -0.284 -0.898) 1.226 3.521 ( -1.197 2.456 -0.577) 2.792 3.592 ( 1.229 3.078 -2.077) 3.911 3.794 ( 1.778 5.653 1.944) 6.237 3.812 ( 1.164 9.172 -4.622) 10.336 3.862 ( 2.152 4.881 1.025) 5.432 4.003 ( -0.007 6.330 -1.847) 6.594 4.125 ( -0.596 2.796 1.185) 3.095 4.164 ( -0.929 2.405 0.359) 2.604 4.387 ( 2.293 4.376 -0.262) 4.948 4.581 ( 0.099 8.564 2.061) 8.809 4.749 ( -0.586 -3.299 -1.102) 3.527 5.047 ( 3.433 -1.714 0.101) 3.838 5.126 ( -2.567 0.020 0.454) 2.607 5.380 ( 0.874 -3.137 2.771) 4.276 5.503 ( 0.891 1.006 -2.520) 2.856 5.551 ( -1.669 8.381 0.339) 8.553 6.238 ( 0.101 11.396 0.252) 11.399 6.365 ( -0.808 -2.032 -0.210) 2.197 6.590 ( 0.381 0.316 -1.711) 1.782 6.661 ( 0.161 -4.686 3.045) 5.591 6.713 ( 0.087 -1.855 -0.427) 1.906 6.909 ( -0.153 -9.671 -0.160) 9.673 6.977 ( 1.383 -11.025 -1.406) 11.201 7.179 ( -1.128 -1.124 0.349) 1.630 7.508 ( 0.914 0.677 0.934) 1.472 7.630 ( 1.132 -3.721 -0.143) 3.892 7.785 ( 1.745 11.422 -1.753) 11.686 8.002 ( 3.484 -8.406 3.264) 9.667 8.103 ( 1.431 -3.238 -0.921) 3.657 8.186 ( -0.476 -2.556 -1.881) 3.209 8.301 ( -3.102 1.243 0.305) 3.356 8.360 ( 0.180 0.010 1.734) 1.744 9.118 ( -0.318 4.708 -0.747) 4.777 9.192 ( -0.504 -2.219 0.314) 2.297 9.335 ( -0.513 -1.896 0.310) 1.988 9.590 ( -0.037 -3.486 -0.186) 3.491 10.212 ( 0.274 -2.445 -0.292) 2.477 10.391 ( 0.046 -8.148 0.390) 8.157 11.200 ( -0.873 10.179 -0.081) 10.217 11.948 ( 0.017 -7.682 0.074) 7.682 12.454 ( -0.024 -4.741 -0.323) 4.752 12.538 ( -0.113 -9.214 0.154) 9.216 13.193 ( 0.469 4.744 -0.103) 4.769 13.315 ( -1.949 14.202 0.474) 14.343 13.779 ( 0.015 5.016 0.262) 5.023 13.876 ( 0.059 -13.609 0.292) 13.613 14.000 ( 1.565 -2.521 0.630) 3.033 14.204 ( -1.544 -1.730 -1.703) 2.877 14.537 ( 4.686 -9.343 -3.304) 10.962 14.693 ( -0.059 -0.338 1.995) 2.024 15.111 ( -0.173 0.836 -0.044) 0.854 15.390 ( -0.126 -4.317 0.296) 4.329 15.908 ( 1.117 -0.072 4.209) 4.356 15.935 ( -0.480 0.035 -2.512) 2.558 16.433 ( -0.355 5.218 0.351) 5.242 16.896 ( -0.110 -3.381 -0.268) 3.393 24.446 ( -0.135 -0.038 0.004) 0.140 24.534 ( -0.163 -0.620 0.158) 0.660 24.658 ( -0.186 1.714 -0.120) 1.729 24.669 ( -0.037 0.343 -0.019) 0.346 26.017 ( 1.585 -2.500 1.066) 3.146 26.067 ( -1.288 -3.044 -0.953) 3.440 26.187 ( 0.159 -0.954 0.223) 0.993 26.220 ( 0.300 -0.944 0.195) 1.009 26.548 ( -0.463 0.552 0.150) 0.736 26.909 ( 1.808 -11.822 -0.210) 11.961 27.500 ( -1.023 16.771 1.748) 16.892 27.765 ( 1.503 2.477 -4.236) 5.132 28.570 ( 0.026 3.884 -0.175) 3.888 28.981 ( 0.348 1.637 1.118) 2.012 29.048 ( 0.811 -2.257 1.196) 2.680 29.584 ( -0.866 -6.826 -0.219) 6.884 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 15.202 0.000) 15.202 1.324 ( 0.000 14.547 0.000) 14.547 1.612 ( 0.000 -6.532 0.000) 6.532 1.749 ( 0.000 -7.709 0.000) 7.709 1.899 ( 0.000 6.110 0.000) 6.110 1.997 ( 0.000 1.989 0.000) 1.989 2.172 ( 0.000 6.663 0.000) 6.663 2.179 ( 0.000 4.220 0.000) 4.220 2.229 ( 0.000 4.606 0.000) 4.606 2.383 ( 0.000 8.119 0.000) 8.119 2.411 ( 0.000 9.380 0.000) 9.380 2.539 ( 0.000 5.314 0.000) 5.314 2.616 ( 0.000 -2.113 0.000) 2.113 2.636 ( 0.000 2.686 0.000) 2.686 2.800 ( 0.000 -1.145 0.000) 1.145 2.886 ( 0.000 0.587 0.000) 0.587 3.028 ( 0.000 -3.489 0.000) 3.489 3.118 ( 0.000 1.582 0.000) 1.582 3.202 ( 0.000 4.330 0.000) 4.330 3.234 ( 0.000 0.642 0.000) 0.642 3.312 ( 0.000 7.427 0.000) 7.427 3.319 ( 0.000 -0.900 0.000) 0.900 3.457 ( 0.000 -1.772 0.000) 1.772 3.581 ( 0.000 -3.525 0.000) 3.525 3.590 ( 0.000 0.787 0.000) 0.787 3.611 ( 0.000 -0.618 0.000) 0.618 3.623 ( 0.000 0.444 0.000) 0.444 3.732 ( 0.000 5.791 0.000) 5.791 3.868 ( 0.000 1.107 0.000) 1.107 3.922 ( 0.000 -3.846 0.000) 3.846 4.215 ( 0.000 2.645 0.000) 2.645 4.281 ( 0.000 1.793 0.000) 1.793 4.710 ( 0.000 12.998 0.000) 12.998 4.746 ( 0.000 4.834 0.000) 4.834 4.858 ( 0.000 14.199 0.000) 14.199 5.038 ( 0.000 4.489 0.000) 4.489 5.140 ( 0.000 0.014 0.000) 0.014 5.260 ( 0.000 -6.081 0.000) 6.081 5.412 ( 0.000 -1.816 0.000) 1.816 5.662 ( 0.000 -3.490 0.000) 3.490 6.392 ( 0.000 4.463 0.000) 4.463 6.428 ( 0.000 0.171 0.000) 0.171 6.516 ( 0.000 0.682 0.000) 0.682 6.628 ( 0.000 -6.648 0.000) 6.648 6.687 ( 0.000 4.495 0.000) 4.495 6.728 ( 0.000 0.207 0.000) 0.207 6.915 ( 0.000 -1.807 0.000) 1.807 7.159 ( 0.000 -8.237 0.000) 8.237 7.355 ( 0.000 -0.518 0.000) 0.518 7.478 ( 0.000 -5.713 0.000) 5.713 7.795 ( 0.000 8.294 0.000) 8.294 7.966 ( 0.000 4.023 0.000) 4.023 8.031 ( 0.000 -1.228 0.000) 1.228 8.186 ( 0.000 -2.315 0.000) 2.315 8.269 ( 0.000 -6.108 0.000) 6.108 8.346 ( 0.000 -0.814 0.000) 0.814 9.181 ( 0.000 -0.298 0.000) 0.298 9.220 ( 0.000 3.408 0.000) 3.408 9.320 ( 0.000 -2.314 0.000) 2.314 9.496 ( 0.000 -6.397 0.000) 6.397 10.153 ( 0.000 -1.061 0.000) 1.061 10.234 ( 0.000 -5.851 0.000) 5.851 11.453 ( 0.000 10.206 0.000) 10.206 11.802 ( 0.000 -7.459 0.000) 7.459 12.368 ( 0.000 -3.844 0.000) 3.844 12.387 ( 0.000 -6.033 0.000) 6.033 13.285 ( 0.000 6.242 0.000) 6.242 13.586 ( 0.000 -7.381 0.000) 7.381 13.721 ( 0.000 3.770 0.000) 3.770 13.787 ( 0.000 4.263 0.000) 4.263 13.990 ( 0.000 -1.185 0.000) 1.185 14.055 ( 0.000 -3.790 0.000) 3.790 14.398 ( 0.000 4.754 0.000) 4.754 14.626 ( 0.000 -4.788 0.000) 4.788 15.149 ( 0.000 2.389 0.000) 2.389 15.307 ( 0.000 -4.941 0.000) 4.941 15.901 ( 0.000 2.231 0.000) 2.231 15.948 ( 0.000 -0.188 0.000) 0.188 16.564 ( 0.000 6.436 0.000) 6.436 16.814 ( 0.000 -5.580 0.000) 5.580 24.460 ( 0.000 0.937 0.000) 0.937 24.519 ( 0.000 -1.702 0.000) 1.702 24.685 ( 0.000 0.886 0.000) 0.886 24.696 ( 0.000 0.671 0.000) 0.671 25.961 ( 0.000 1.159 0.000) 1.159 26.074 ( 0.000 -4.659 0.000) 4.659 26.143 ( 0.000 1.562 0.000) 1.562 26.190 ( 0.000 -0.820 0.000) 0.820 26.585 ( 0.000 0.584 0.000) 0.584 26.676 ( 0.000 -4.272 0.000) 4.272 27.746 ( 0.000 6.231 0.000) 6.231 27.790 ( 0.000 4.612 0.000) 4.612 28.660 ( 0.000 5.412 0.000) 5.412 28.898 ( 0.000 -6.121 0.000) 6.121 29.108 ( 0.000 8.716 0.000) 8.716 29.460 ( 0.000 -9.172 0.000) 9.172 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -2.761 12.541 5.491) 13.967 1.340 ( 2.957 9.041 3.220) 10.042 1.609 ( -3.674 -0.153 -0.799) 3.763 1.698 ( 0.919 -7.457 -1.355) 7.634 1.954 ( 3.155 3.225 -1.544) 4.769 1.971 ( -2.199 1.469 1.720) 3.155 2.074 ( -4.407 6.393 3.673) 8.590 2.173 ( -4.688 5.360 2.195) 7.451 2.286 ( -1.108 6.444 -3.376) 7.359 2.341 ( -3.537 9.724 0.331) 10.353 2.359 ( 2.182 8.822 -0.136) 9.089 2.530 ( 0.073 4.717 3.817) 6.068 2.609 ( -1.026 2.477 -1.408) 3.028 2.673 ( 2.476 -5.207 3.751) 6.878 2.766 ( -2.880 -1.309 -0.354) 3.183 2.875 ( -2.038 -2.535 -0.139) 3.255 3.022 ( 0.540 -1.894 -2.187) 2.943 3.079 ( -2.284 2.371 -4.059) 5.226 3.188 ( 1.388 -0.111 -0.791) 1.602 3.221 ( -2.922 0.308 -2.651) 3.958 3.285 ( 0.021 5.079 -2.963) 5.881 3.344 ( -0.137 2.146 2.722) 3.469 3.439 ( -0.388 -0.982 -0.695) 1.264 3.544 ( -3.256 -1.780 0.102) 3.712 3.603 ( 2.367 3.216 -0.865) 4.086 3.677 ( 1.278 5.481 -1.349) 5.787 3.727 ( 9.303 1.242 -0.329) 9.392 3.808 ( 7.187 2.789 1.593) 7.872 3.928 ( 3.282 -3.547 0.138) 4.834 3.942 ( 3.148 0.795 -3.374) 4.682 4.188 ( -2.721 1.828 -0.484) 3.314 4.255 ( -2.348 1.447 -0.747) 2.858 4.677 ( -1.464 15.873 -2.241) 16.097 4.744 ( -1.153 4.141 2.239) 4.847 4.852 ( -0.772 14.843 0.061) 14.864 4.992 ( -2.195 -0.668 1.834) 2.937 5.156 ( -1.144 -0.691 1.476) 1.991 5.253 ( 1.372 -4.987 3.780) 6.406 5.468 ( 3.342 -0.872 -1.071) 3.616 5.657 ( -0.321 -2.304 -0.925) 2.503 6.381 ( -0.909 2.864 -1.466) 3.344 6.417 ( -0.811 2.816 1.902) 3.494 6.533 ( 1.618 -0.726 -1.275) 2.184 6.619 ( -1.112 -3.558 4.325) 5.709 6.704 ( 0.691 0.120 -3.721) 3.786 6.720 ( 0.152 -1.119 -0.527) 1.246 6.896 ( -1.337 -0.874 -1.049) 1.911 7.134 ( -1.746 -6.683 -0.369) 6.917 7.412 ( 4.007 -2.362 1.653) 4.936 7.504 ( 2.052 -5.765 -0.093) 6.120 7.831 ( 3.451 6.584 0.254) 7.438 7.974 ( 0.394 4.231 1.661) 4.563 8.036 ( 0.567 -1.537 -0.319) 1.669 8.178 ( -0.661 -2.338 -2.087) 3.203 8.264 ( -0.499 -4.830 1.682) 5.139 8.352 ( 0.452 -0.855 0.058) 0.969 9.175 ( -0.448 -0.155 -1.243) 1.331 9.216 ( -0.441 3.642 0.647) 3.725 9.306 ( -1.151 -2.383 0.198) 2.654 9.492 ( -0.291 -6.612 -0.227) 6.623 10.163 ( 0.798 -1.014 -0.258) 1.316 10.242 ( 0.648 -5.697 0.257) 5.739 11.438 ( -1.303 10.727 0.041) 10.805 11.801 ( -0.123 -7.662 0.152) 7.664 12.368 ( 0.046 -3.831 -0.934) 3.943 12.386 ( -0.108 -5.962 0.582) 5.992 13.288 ( 0.251 6.018 -0.178) 6.026 13.566 ( -1.601 -2.764 0.276) 3.206 13.689 ( -1.155 2.651 0.750) 2.987 13.854 ( 3.556 3.510 1.111) 5.118 13.943 ( -2.136 -1.338 -0.364) 2.547 14.096 ( 1.930 -7.045 -1.929) 7.555 14.416 ( 1.938 4.101 -0.973) 4.639 14.634 ( 0.445 -4.707 1.478) 4.953 15.147 ( -0.211 2.432 -0.175) 2.447 15.304 ( -0.231 -4.912 0.144) 4.919 15.907 ( 0.498 1.823 1.116) 2.194 15.946 ( -0.166 -0.094 -0.509) 0.544 16.558 ( -0.467 6.533 0.250) 6.555 16.812 ( -0.194 -5.610 -0.282) 5.620 24.458 ( -0.112 0.996 0.080) 1.005 24.517 ( -0.183 -1.558 0.217) 1.583 24.682 ( -0.253 0.822 -0.099) 0.865 24.691 ( -0.394 0.655 -0.131) 0.775 25.966 ( 0.456 0.412 0.353) 0.709 26.048 ( -1.754 -3.419 -1.241) 4.038 26.163 ( 1.250 0.608 0.784) 1.596 26.196 ( 0.485 -0.755 0.456) 1.006 26.578 ( -0.479 1.208 0.165) 1.310 26.697 ( 1.630 -5.600 -0.372) 5.844 27.744 ( -0.350 7.437 3.801) 8.359 27.806 ( 1.534 3.578 -4.724) 6.121 28.661 ( 0.083 5.472 -0.257) 5.478 28.902 ( 0.352 -6.177 -0.062) 6.187 29.114 ( 0.417 8.068 1.262) 8.177 29.451 ( -0.811 -8.816 -0.226) 8.856 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -1.642 7.097 3.055) 7.899 1.365 ( -1.878 -0.899 2.677) 3.391 1.583 ( 2.644 5.976 -1.423) 6.688 1.717 ( -0.619 -3.233 -1.050) 3.455 1.923 ( -2.071 1.939 1.760) 3.339 1.947 ( -1.930 -0.537 0.867) 2.183 2.053 ( -0.977 8.126 0.399) 8.195 2.111 ( -0.586 10.066 1.109) 10.143 2.211 ( 0.389 7.722 0.077) 7.732 2.271 ( -3.021 10.338 -0.458) 10.780 2.463 ( 2.733 3.216 -0.917) 4.319 2.566 ( 1.260 7.333 2.701) 7.916 2.576 ( 0.284 -2.790 0.606) 2.870 2.696 ( -1.517 -0.809 -1.802) 2.490 2.714 ( -1.324 -3.477 0.462) 3.749 2.806 ( -2.659 -6.522 -0.379) 7.053 3.056 ( 0.937 -1.867 -1.903) 2.826 3.058 ( 1.578 0.549 0.733) 1.824 3.171 ( -1.227 -1.083 -1.413) 2.162 3.239 ( 0.190 -3.325 -0.910) 3.452 3.260 ( 0.042 4.973 -1.025) 5.078 3.343 ( 1.304 5.898 -0.290) 6.047 3.425 ( -1.748 -0.758 1.211) 2.258 3.475 ( -2.090 -2.227 -0.677) 3.129 3.671 ( 2.129 6.246 -1.270) 6.720 3.676 ( -0.033 10.560 -0.360) 10.567 3.893 ( 4.084 3.842 1.536) 5.814 3.911 ( 2.904 0.889 -1.789) 3.525 3.967 ( 2.994 1.831 -1.269) 3.732 4.027 ( 1.077 1.421 -0.894) 1.994 4.133 ( -0.231 -1.312 1.196) 1.790 4.193 ( -3.200 0.336 -1.385) 3.503 4.661 ( -0.137 16.475 -0.991) 16.505 4.721 ( -1.037 2.003 1.890) 2.942 4.830 ( -0.875 16.720 0.369) 16.747 4.985 ( 0.668 -4.080 0.631) 4.182 5.119 ( -1.729 -1.918 0.729) 2.683 5.304 ( 1.929 -4.903 2.418) 5.797 5.499 ( 0.019 0.033 -0.941) 0.942 5.653 ( 0.139 -0.224 -0.497) 0.562 6.361 ( -0.594 1.741 -0.457) 1.896 6.409 ( -0.217 4.202 0.591) 4.249 6.568 ( 1.915 -1.887 -1.943) 3.317 6.599 ( -1.473 -2.274 3.142) 4.148 6.697 ( -0.225 -0.450 -0.949) 1.074 6.730 ( 0.191 -5.169 -0.623) 5.210 6.876 ( -0.396 0.440 -0.850) 1.036 7.105 ( -0.795 -5.847 -0.168) 5.904 7.478 ( 1.767 -3.007 0.886) 3.599 7.537 ( 0.877 -5.310 -0.055) 5.382 7.909 ( 3.113 2.054 -0.717) 3.798 7.977 ( -0.505 4.950 2.405) 5.526 8.051 ( 0.812 -1.884 -0.463) 2.103 8.157 ( -0.750 -2.404 -1.682) 3.029 8.257 ( -0.296 -2.286 1.047) 2.532 8.361 ( 0.272 -0.830 0.173) 0.890 9.164 ( -0.248 -0.047 -0.813) 0.852 9.207 ( -0.370 4.279 0.440) 4.317 9.285 ( -0.638 -2.701 0.123) 2.778 9.486 ( -0.205 -6.954 -0.139) 6.959 10.177 ( 0.479 -0.885 -0.168) 1.021 10.255 ( 0.392 -5.434 0.161) 5.450 11.414 ( -0.750 11.397 0.030) 11.421 11.798 ( -0.099 -7.969 0.092) 7.970 12.368 ( 0.052 -3.780 -0.565) 3.823 12.385 ( -0.086 -5.883 0.354) 5.894 13.293 ( 0.183 5.663 -0.110) 5.667 13.539 ( -0.799 2.176 0.236) 2.330 13.682 ( -0.020 0.551 0.356) 0.657 13.869 ( -0.824 3.657 -0.191) 3.754 13.957 ( 1.787 -2.145 1.076) 2.992 14.107 ( -0.158 -8.344 -1.546) 8.488 14.458 ( 1.587 1.361 -0.737) 2.217 14.643 ( 0.131 -4.472 0.997) 4.583 15.142 ( -0.133 2.501 -0.111) 2.507 15.300 ( -0.143 -4.876 0.094) 4.879 15.921 ( 0.489 1.012 1.169) 1.622 15.940 ( -0.285 0.220 -0.796) 0.874 16.550 ( -0.286 6.680 0.150) 6.688 16.808 ( -0.121 -5.655 -0.170) 5.659 24.457 ( -0.063 1.092 0.052) 1.095 24.514 ( -0.080 -1.393 0.142) 1.403 24.677 ( -0.086 0.623 -0.053) 0.632 24.683 ( -0.309 0.689 -0.098) 0.761 25.982 ( 0.922 -0.997 0.642) 1.503 26.012 ( -1.437 -2.396 -1.005) 2.969 26.183 ( 0.511 0.345 0.256) 0.667 26.205 ( 0.249 -0.669 0.307) 0.777 26.571 ( -0.153 1.809 0.053) 1.816 26.724 ( 0.813 -7.165 -0.168) 7.213 27.746 ( -0.025 8.628 1.800) 8.814 27.825 ( 0.721 2.726 -2.359) 3.676 28.662 ( 0.050 5.564 -0.157) 5.567 28.908 ( 0.220 -6.240 -0.047) 6.244 29.124 ( 0.278 7.012 0.794) 7.062 29.435 ( -0.522 -8.237 -0.159) 8.256 ======================= Grid point 20 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 -9.932 0.000) 9.932 1.456 ( 0.000 9.932 0.000) 9.932 1.563 ( 0.000 -10.946 0.000) 10.946 1.563 ( 0.000 10.946 0.000) 10.946 1.991 ( 0.000 -2.663 0.000) 2.663 1.991 ( 0.000 2.663 0.000) 2.663 2.234 ( 0.000 -1.363 0.000) 1.363 2.234 ( 0.000 1.363 0.000) 1.363 2.349 ( 0.000 -8.515 0.000) 8.515 2.349 ( 0.000 8.515 0.000) 8.515 2.567 ( 0.000 -4.341 0.000) 4.341 2.567 ( 0.000 4.341 0.000) 4.341 2.624 ( 0.000 -2.326 0.000) 2.326 2.624 ( 0.000 2.326 0.000) 2.326 2.828 ( 0.000 -4.570 0.000) 4.570 2.828 ( 0.000 4.570 0.000) 4.570 3.063 ( 0.000 -4.694 0.000) 4.694 3.063 ( 0.000 4.694 0.000) 4.694 3.239 ( 0.000 -0.001 0.000) 0.001 3.239 ( 0.000 0.001 0.000) 0.001 3.356 ( 0.000 -3.375 0.000) 3.375 3.356 ( 0.000 3.375 0.000) 3.375 3.504 ( 0.000 -4.384 0.000) 4.384 3.504 ( 0.000 4.384 0.000) 4.384 3.608 ( 0.000 -0.226 0.000) 0.226 3.608 ( 0.000 0.226 0.000) 0.226 3.728 ( 0.000 -10.137 0.000) 10.137 3.728 ( 0.000 10.137 0.000) 10.137 3.852 ( 0.000 -2.402 0.000) 2.402 3.852 ( 0.000 2.402 0.000) 2.402 4.274 ( 0.000 -2.168 0.000) 2.168 4.274 ( 0.000 2.168 0.000) 2.168 4.838 ( 0.000 -1.758 0.000) 1.758 4.838 ( 0.000 1.758 0.000) 1.758 5.038 ( 0.000 -5.626 0.000) 5.626 5.038 ( 0.000 5.626 0.000) 5.626 5.178 ( 0.000 -1.686 0.000) 1.686 5.178 ( 0.000 1.686 0.000) 1.686 5.492 ( 0.000 -10.808 0.000) 10.808 5.492 ( 0.000 10.808 0.000) 10.808 6.438 ( 0.000 -0.416 0.000) 0.416 6.438 ( 0.000 0.416 0.000) 0.416 6.534 ( 0.000 -2.357 0.000) 2.357 6.534 ( 0.000 2.357 0.000) 2.357 6.738 ( 0.000 -0.082 0.000) 0.082 6.738 ( 0.000 0.082 0.000) 0.082 6.987 ( 0.000 -8.388 0.000) 8.388 6.987 ( 0.000 8.388 0.000) 8.388 7.383 ( 0.000 -3.534 0.000) 3.534 7.383 ( 0.000 3.534 0.000) 3.534 7.976 ( 0.000 -7.123 0.000) 7.123 7.976 ( 0.000 7.123 0.000) 7.123 8.031 ( 0.000 -3.845 0.000) 3.845 8.031 ( 0.000 3.845 0.000) 3.845 8.298 ( 0.000 -3.902 0.000) 3.902 8.298 ( 0.000 3.902 0.000) 3.902 9.208 ( 0.000 -2.767 0.000) 2.767 9.208 ( 0.000 2.767 0.000) 2.767 9.367 ( 0.000 -6.093 0.000) 6.093 9.367 ( 0.000 6.093 0.000) 6.093 10.161 ( 0.000 -1.933 0.000) 1.933 10.161 ( 0.000 1.933 0.000) 1.933 11.643 ( 0.000 -9.097 0.000) 9.097 11.643 ( 0.000 9.097 0.000) 9.097 12.327 ( 0.000 -0.119 0.000) 0.119 12.327 ( 0.000 0.119 0.000) 0.119 13.420 ( 0.000 -7.860 0.000) 7.860 13.420 ( 0.000 7.860 0.000) 7.860 13.812 ( 0.000 -2.361 0.000) 2.361 13.812 ( 0.000 2.361 0.000) 2.361 13.990 ( 0.000 -1.812 0.000) 1.812 13.990 ( 0.000 1.812 0.000) 1.812 14.511 ( 0.000 -6.496 0.000) 6.496 14.511 ( 0.000 6.496 0.000) 6.496 15.215 ( 0.000 -4.268 0.000) 4.268 15.215 ( 0.000 4.268 0.000) 4.268 15.935 ( 0.000 -1.245 0.000) 1.245 15.935 ( 0.000 1.245 0.000) 1.245 16.693 ( 0.000 -6.705 0.000) 6.705 16.693 ( 0.000 6.705 0.000) 6.705 24.486 ( 0.000 -1.636 0.000) 1.636 24.486 ( 0.000 1.636 0.000) 1.636 24.698 ( 0.000 -0.370 0.000) 0.370 24.698 ( 0.000 0.370 0.000) 0.370 26.000 ( 0.000 -2.883 0.000) 2.883 26.000 ( 0.000 2.883 0.000) 2.883 26.170 ( 0.000 -1.199 0.000) 1.199 26.170 ( 0.000 1.199 0.000) 1.199 26.613 ( 0.000 -2.322 0.000) 2.322 26.613 ( 0.000 2.322 0.000) 2.322 27.822 ( 0.000 -1.311 0.000) 1.311 27.822 ( 0.000 1.311 0.000) 1.311 28.775 ( 0.000 -6.299 0.000) 6.299 28.775 ( 0.000 6.299 0.000) 6.299 29.282 ( 0.000 -9.139 0.000) 9.139 29.282 ( 0.000 9.139 0.000) 9.139 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -5.927 -5.025 6.447) 10.097 1.397 ( -5.927 5.025 6.447) 10.097 1.594 ( 3.413 -0.691 -3.524) 4.955 1.594 ( 3.413 0.691 -3.524) 4.955 1.983 ( -1.355 -0.586 1.735) 2.278 1.983 ( -1.355 0.586 1.735) 2.278 2.196 ( -2.153 -4.033 2.214) 5.079 2.196 ( -2.153 4.033 2.214) 5.079 2.399 ( 3.470 -5.295 -2.979) 6.996 2.399 ( 3.470 5.295 -2.979) 6.996 2.517 ( -5.527 -5.296 -2.061) 7.927 2.517 ( -5.527 5.296 -2.061) 7.927 2.607 ( 0.273 -1.891 5.294) 5.628 2.607 ( 0.273 1.891 5.294) 5.628 2.796 ( -3.152 -4.737 0.326) 5.700 2.796 ( -3.152 4.737 0.326) 5.700 3.050 ( 0.557 -3.447 -4.460) 5.664 3.050 ( 0.557 3.447 -4.460) 5.664 3.199 ( -3.165 -1.820 -0.850) 3.748 3.199 ( -3.165 1.820 -0.850) 3.748 3.362 ( 1.020 -2.228 -0.405) 2.484 3.362 ( 1.020 2.228 -0.405) 2.484 3.482 ( -2.848 -4.376 1.723) 5.498 3.482 ( -2.848 4.376 1.723) 5.498 3.708 ( 6.835 -3.087 -2.007) 7.764 3.708 ( 6.835 3.087 -2.007) 7.764 3.787 ( 5.559 -6.711 -0.868) 8.757 3.787 ( 5.559 6.711 -0.868) 8.757 3.896 ( 4.142 -3.738 -0.478) 5.599 3.896 ( 4.142 3.738 -0.478) 5.599 4.245 ( -2.795 -2.382 -1.257) 3.882 4.245 ( -2.795 2.382 -1.257) 3.882 4.830 ( -1.255 -2.544 0.681) 2.917 4.830 ( -1.255 2.544 0.681) 2.917 5.001 ( -1.796 -4.927 0.489) 5.267 5.001 ( -1.796 4.927 0.489) 5.267 5.179 ( -0.588 -4.942 3.628) 6.159 5.179 ( -0.588 4.942 3.628) 6.159 5.523 ( 2.334 -7.879 -1.243) 8.310 5.523 ( 2.334 7.879 -1.243) 8.310 6.426 ( -0.930 -1.645 -0.375) 1.926 6.426 ( -0.930 1.645 -0.375) 1.926 6.545 ( 0.823 -2.308 0.229) 2.461 6.545 ( 0.823 2.308 0.229) 2.461 6.719 ( -1.450 -0.524 -0.665) 1.679 6.719 ( -1.450 0.524 -0.665) 1.679 6.982 ( -0.436 -8.041 -0.393) 8.063 6.982 ( -0.436 8.041 -0.393) 8.063 7.413 ( 2.428 -2.868 0.685) 3.820 7.413 ( 2.428 2.868 0.685) 3.820 7.989 ( 1.063 -6.824 0.624) 6.934 7.989 ( 1.063 6.824 0.624) 6.934 8.033 ( 0.145 -4.187 -0.323) 4.202 8.033 ( 0.145 4.187 -0.323) 4.202 8.302 ( 0.353 -4.071 0.120) 4.089 8.302 ( 0.353 4.071 0.120) 4.089 9.204 ( -0.367 -2.881 -0.215) 2.912 9.204 ( -0.367 2.881 -0.215) 2.912 9.358 ( -0.751 -6.439 -0.096) 6.483 9.358 ( -0.751 6.439 -0.096) 6.483 10.170 ( 0.803 -1.906 -0.046) 2.069 10.170 ( 0.803 1.906 -0.046) 2.069 11.636 ( -0.599 -9.478 0.165) 9.499 11.636 ( -0.599 9.478 0.165) 9.499 12.327 ( 0.007 -0.169 -0.191) 0.255 12.327 ( 0.007 0.169 -0.191) 0.255 13.419 ( -0.042 -7.698 -0.130) 7.699 13.419 ( -0.042 7.698 -0.130) 7.699 13.830 ( 1.375 -6.126 1.242) 6.400 13.830 ( 1.375 6.126 1.242) 6.400 13.975 ( -1.153 -4.724 -1.191) 5.007 13.975 ( -1.153 4.724 -1.191) 5.007 14.522 ( 0.865 -6.231 0.379) 6.302 14.522 ( 0.865 6.231 0.379) 6.302 15.213 ( -0.179 -4.266 -0.084) 4.270 15.213 ( -0.179 4.266 -0.084) 4.270 15.936 ( 0.066 -1.037 0.101) 1.044 15.936 ( 0.066 1.037 0.101) 1.044 16.690 ( -0.298 -6.779 -0.044) 6.786 16.690 ( -0.298 6.779 -0.044) 6.786 24.485 ( -0.072 -1.624 0.158) 1.633 24.485 ( -0.072 1.624 0.158) 1.633 24.694 ( -0.358 -0.334 -0.116) 0.503 24.694 ( -0.358 0.334 -0.116) 0.503 25.992 ( -0.638 -2.197 -0.388) 2.321 25.992 ( -0.638 2.197 -0.388) 2.321 26.180 ( 0.723 -0.917 0.486) 1.266 26.180 ( 0.723 0.917 0.486) 1.266 26.617 ( 0.312 -2.916 -0.087) 2.934 26.617 ( 0.312 2.916 -0.087) 2.934 27.830 ( 0.637 -1.465 -0.098) 1.600 27.830 ( 0.637 1.465 -0.098) 1.600 28.778 ( 0.208 -6.397 -0.120) 6.402 28.778 ( 0.208 6.397 -0.120) 6.402 29.279 ( -0.272 -8.780 0.172) 8.786 29.279 ( -0.272 8.780 0.172) 8.786 ======================= Grid point 24 (15/80) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -3.613 -6.199 2.724) 7.675 1.293 ( -3.613 6.199 2.724) 7.675 1.658 ( 2.290 -2.636 -1.027) 3.640 1.658 ( 2.290 2.636 -1.027) 3.640 1.937 ( -2.480 -0.556 1.906) 3.177 1.937 ( -2.480 0.556 1.906) 3.177 2.189 ( 0.502 -4.636 0.310) 4.674 2.189 ( 0.502 4.636 0.310) 4.674 2.388 ( -2.191 -12.131 -0.278) 12.330 2.388 ( -2.191 12.131 -0.278) 12.330 2.481 ( 1.246 -7.837 -2.526) 8.328 2.481 ( 1.246 7.837 -2.526) 8.328 2.617 ( -0.434 -5.007 2.488) 5.608 2.617 ( -0.434 5.007 2.488) 5.608 2.739 ( -1.423 -3.799 0.661) 4.111 2.739 ( -1.423 3.799 0.661) 4.111 3.047 ( -0.639 -1.097 -2.389) 2.706 3.047 ( -0.639 1.097 -2.389) 2.706 3.178 ( 0.914 -2.101 0.192) 2.300 3.178 ( 0.914 2.101 0.192) 2.300 3.362 ( -0.938 -4.959 0.358) 5.060 3.362 ( -0.938 4.959 0.358) 5.060 3.434 ( -1.129 -2.558 -0.569) 2.854 3.434 ( -1.129 2.558 -0.569) 2.854 3.793 ( 1.994 -3.733 -0.507) 4.262 3.793 ( 1.994 3.733 -0.507) 4.262 3.885 ( 2.716 -1.424 -2.428) 3.911 3.885 ( 2.716 1.424 -2.428) 3.911 4.016 ( 6.388 -3.942 1.671) 7.690 4.016 ( 6.388 3.942 1.671) 7.690 4.162 ( -4.627 -3.270 -1.384) 5.832 4.162 ( -4.627 3.270 -1.384) 5.832 4.793 ( -1.576 -3.583 1.009) 4.042 4.793 ( -1.576 3.583 1.009) 4.042 5.002 ( 1.039 -6.823 -0.002) 6.902 5.002 ( 1.039 6.823 -0.002) 6.902 5.164 ( -1.023 -11.158 1.943) 11.373 5.164 ( -1.023 11.158 1.943) 11.373 5.556 ( 0.868 -6.426 -0.581) 6.510 5.556 ( 0.868 6.426 -0.581) 6.510 6.409 ( -0.513 -2.488 -0.216) 2.549 6.409 ( -0.513 2.488 -0.216) 2.549 6.558 ( 0.382 -1.036 0.053) 1.106 6.558 ( 0.382 1.036 0.053) 1.106 6.694 ( -0.669 -0.341 -0.314) 0.814 6.694 ( -0.669 0.341 -0.314) 0.814 6.972 ( -0.309 -7.342 -0.270) 7.354 6.972 ( -0.309 7.342 -0.270) 7.354 7.457 ( 1.295 -1.890 0.419) 2.329 7.457 ( 1.295 1.890 0.419) 2.329 8.012 ( 0.818 -5.753 0.608) 5.843 8.012 ( 0.818 5.753 0.608) 5.843 8.034 ( -0.025 -3.301 -0.481) 3.336 8.034 ( -0.025 3.301 -0.481) 3.336 8.310 ( 0.270 -4.254 0.133) 4.265 8.310 ( 0.270 4.254 0.133) 4.265 9.196 ( -0.233 -3.046 -0.140) 3.058 9.196 ( -0.233 3.046 -0.140) 3.058 9.344 ( -0.479 -6.975 -0.061) 6.992 9.344 ( -0.479 6.975 -0.061) 6.992 10.185 ( 0.495 -1.861 -0.031) 1.926 10.185 ( 0.495 1.861 -0.031) 1.926 11.625 ( -0.374 -10.059 0.101) 10.067 11.625 ( -0.374 10.059 0.101) 10.067 12.327 ( 0.005 -0.113 -0.116) 0.161 12.327 ( 0.005 0.113 -0.116) 0.161 13.419 ( 0.000 -7.429 -0.072) 7.430 13.419 ( 0.000 7.429 -0.072) 7.430 13.857 ( 0.786 -8.501 1.027) 8.599 13.857 ( 0.786 8.501 1.027) 8.599 13.952 ( -0.637 -4.286 -0.991) 4.445 13.952 ( -0.637 4.286 -0.991) 4.445 14.539 ( 0.492 -5.646 0.219) 5.672 14.539 ( 0.492 5.646 0.219) 5.672 15.209 ( -0.114 -4.263 -0.052) 4.265 15.209 ( -0.114 4.263 -0.052) 4.265 15.937 ( 0.041 -0.558 0.061) 0.562 15.937 ( 0.041 0.558 0.061) 0.562 16.684 ( -0.185 -6.898 -0.027) 6.900 16.684 ( -0.185 6.898 -0.027) 6.900 24.484 ( -0.035 -1.613 0.102) 1.617 24.484 ( -0.035 1.613 0.102) 1.617 24.687 ( -0.224 -0.227 -0.076) 0.328 24.687 ( -0.224 0.227 -0.076) 0.328 25.980 ( -0.320 -0.843 -0.204) 0.924 25.980 ( -0.320 0.843 -0.204) 0.924 26.193 ( 0.368 -0.602 0.262) 0.753 26.193 ( 0.368 0.602 0.262) 0.753 26.622 ( 0.191 -3.672 -0.051) 3.678 26.622 ( 0.191 3.672 -0.051) 3.678 27.842 ( 0.387 -1.575 -0.060) 1.623 27.842 ( 0.387 1.575 -0.060) 1.623 28.781 ( 0.131 -6.565 -0.076) 6.566 28.781 ( 0.131 6.565 -0.076) 6.566 29.274 ( -0.170 -8.165 0.108) 8.168 29.274 ( -0.170 8.165 0.108) 8.168 ======================= Grid point 45 (16/80) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -0.017 0.000 23.466) 23.466 0.505 ( 0.156 0.000 25.482) 25.482 0.970 ( 6.445 0.000 47.132) 47.571 1.613 ( 2.161 0.000 -2.663) 3.430 1.720 ( 5.941 0.000 3.087) 6.695 1.833 ( -0.458 0.000 -3.815) 3.842 1.856 ( 2.144 0.000 0.605) 2.228 1.887 ( -1.747 0.000 3.778) 4.163 2.047 ( -0.566 0.000 -2.332) 2.400 2.163 ( -0.094 0.000 1.575) 1.578 2.206 ( -17.923 0.000 10.520) 20.782 2.267 ( 9.054 0.000 -5.395) 10.539 2.443 ( -4.220 0.000 3.987) 5.806 2.631 ( 0.711 0.000 0.988) 1.217 2.796 ( -0.670 0.000 -1.501) 1.644 2.913 ( 6.163 0.000 -2.541) 6.666 3.040 ( -3.626 0.000 -8.416) 9.164 3.081 ( 3.743 0.000 4.425) 5.796 3.156 ( 1.444 0.000 -1.840) 2.339 3.177 ( -3.399 0.000 -4.157) 5.370 3.214 ( 0.622 0.000 -6.562) 6.592 3.339 ( 0.114 0.000 -4.451) 4.452 3.404 ( 0.430 0.000 0.573) 0.716 3.483 ( -9.695 0.000 -2.393) 9.986 3.502 ( -2.851 0.000 4.200) 5.076 3.559 ( 1.077 0.000 0.812) 1.349 3.641 ( 1.391 0.000 2.244) 2.640 3.735 ( -1.955 0.000 2.035) 2.823 3.781 ( 2.103 0.000 1.880) 2.821 3.845 ( -12.981 0.000 -3.267) 13.386 3.942 ( 10.855 0.000 3.601) 11.436 4.031 ( 0.117 0.000 3.798) 3.800 4.123 ( 3.891 0.000 -0.428) 3.915 4.361 ( 1.275 0.000 -3.356) 3.590 4.827 ( -1.871 0.000 -3.488) 3.958 4.919 ( -13.808 0.000 -1.945) 13.945 5.194 ( 1.367 0.000 -15.653) 15.713 5.296 ( 0.257 0.000 -7.057) 7.062 5.346 ( 0.133 0.000 9.238) 9.239 5.559 ( -0.458 0.000 5.759) 5.778 5.973 ( -0.403 0.000 0.972) 1.052 6.417 ( -0.061 0.000 -5.084) 5.085 6.543 ( -0.151 0.000 -2.079) 2.085 6.738 ( 18.323 0.000 -3.033) 18.573 6.914 ( 0.779 0.000 8.924) 8.958 7.030 ( -0.240 0.000 5.987) 5.992 7.093 ( -0.563 0.000 1.020) 1.165 7.112 ( -0.841 0.000 0.261) 0.881 7.207 ( 0.617 0.000 -1.024) 1.195 7.534 ( -4.989 0.000 -5.167) 7.182 7.583 ( -0.562 0.000 6.520) 6.544 7.664 ( 2.397 0.000 2.351) 3.358 8.001 ( 0.085 0.000 -8.734) 8.734 8.052 ( 0.738 0.000 -8.109) 8.142 8.374 ( -0.637 0.000 6.267) 6.299 8.977 ( -0.772 0.000 -3.258) 3.348 9.264 ( 0.139 0.000 1.374) 1.381 9.296 ( 3.196 0.000 -3.509) 4.746 9.373 ( 0.646 0.000 -1.250) 1.407 9.907 ( -3.385 0.000 -3.940) 5.195 10.371 ( -0.510 0.000 8.057) 8.073 10.679 ( -0.308 0.000 10.297) 10.301 10.945 ( 0.832 0.000 -3.927) 4.015 12.094 ( 0.567 0.000 -8.037) 8.057 12.547 ( -0.724 0.000 -0.816) 1.090 12.867 ( -0.408 0.000 7.441) 7.453 12.906 ( 0.667 0.000 -2.057) 2.162 13.027 ( 0.035 0.000 1.118) 1.118 13.531 ( 2.936 0.000 -0.872) 3.063 13.990 ( 0.660 0.000 1.384) 1.533 14.182 ( -15.225 0.000 -1.796) 15.330 14.261 ( -1.953 0.000 -7.631) 7.877 14.388 ( 3.159 0.000 -0.003) 3.159 14.403 ( 0.816 0.000 -3.949) 4.033 15.194 ( -0.681 0.000 7.369) 7.400 15.511 ( 1.000 0.000 1.854) 2.106 16.012 ( -1.942 0.000 6.621) 6.899 16.332 ( 0.909 0.000 0.864) 1.254 16.621 ( 12.340 0.000 0.338) 12.344 16.925 ( -0.104 0.000 -3.445) 3.447 24.489 ( 0.233 0.000 0.005) 0.233 24.524 ( 0.268 0.000 -0.785) 0.830 24.611 ( -0.283 0.000 0.770) 0.820 24.653 ( 0.099 0.000 -0.043) 0.108 26.030 ( 13.112 0.000 1.017) 13.152 26.089 ( 0.664 0.000 1.716) 1.840 26.155 ( -1.081 0.000 -0.004) 1.081 26.302 ( -1.846 0.000 1.219) 2.212 26.701 ( -0.034 0.000 -0.530) 0.531 26.722 ( -0.151 0.000 2.936) 2.940 27.182 ( 0.394 0.000 -4.959) 4.975 27.206 ( -21.519 0.000 -3.842) 21.859 28.545 ( -2.189 0.000 5.187) 5.630 29.074 ( 0.153 0.000 -3.808) 3.811 29.548 ( 10.102 0.000 3.540) 10.705 29.745 ( 0.255 0.000 0.619) 0.670 ======================= Grid point 46 (17/80) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 12.478 0.000 15.838) 20.163 0.702 ( 13.145 0.000 18.693) 22.852 1.402 ( 25.216 0.000 34.908) 43.063 1.703 ( 3.037 0.000 -6.194) 6.899 1.711 ( -10.924 0.000 -1.535) 11.031 1.850 ( -7.264 0.000 8.029) 10.827 1.892 ( 8.903 0.000 5.891) 10.675 1.906 ( -7.738 0.000 7.645) 10.878 1.930 ( 4.095 0.000 -1.313) 4.301 1.977 ( -4.330 0.000 -1.975) 4.759 2.258 ( 5.872 0.000 4.372) 7.321 2.298 ( -8.978 0.000 2.976) 9.458 2.368 ( -0.935 0.000 -7.048) 7.110 2.654 ( 1.376 0.000 0.788) 1.586 2.677 ( -5.622 0.000 -10.238) 11.681 2.978 ( -0.750 0.000 -0.865) 1.145 3.004 ( 2.189 0.000 -6.753) 7.099 3.140 ( -0.929 0.000 -3.067) 3.205 3.144 ( -0.159 0.000 -1.010) 1.023 3.218 ( 2.349 0.000 -5.580) 6.054 3.243 ( -3.537 0.000 3.006) 4.642 3.311 ( -2.724 0.000 -0.246) 2.735 3.388 ( 4.661 0.000 -6.086) 7.666 3.417 ( -2.616 0.000 -0.120) 2.619 3.429 ( -2.799 0.000 3.664) 4.611 3.542 ( -9.173 0.000 -2.809) 9.593 3.637 ( 2.783 0.000 2.574) 3.791 3.673 ( 1.693 0.000 -0.381) 1.735 3.711 ( -0.138 0.000 1.582) 1.588 3.829 ( 1.887 0.000 1.020) 2.145 4.047 ( 0.689 0.000 5.092) 5.138 4.050 ( 0.278 0.000 -0.172) 0.327 4.353 ( 14.025 0.000 -5.238) 14.971 4.385 ( 1.456 0.000 -3.336) 3.640 4.817 ( -1.848 0.000 -4.014) 4.419 4.891 ( 7.182 0.000 -1.146) 7.273 5.180 ( -0.177 0.000 -16.185) 16.186 5.293 ( 0.552 0.000 -5.242) 5.271 5.363 ( 0.246 0.000 9.620) 9.624 5.549 ( -1.195 0.000 4.141) 4.310 5.946 ( -1.555 0.000 2.890) 3.282 6.410 ( 0.276 0.000 -4.732) 4.740 6.545 ( 0.600 0.000 -1.817) 1.914 6.905 ( 0.497 0.000 10.089) 10.101 7.031 ( -0.600 0.000 5.421) 5.454 7.034 ( 0.896 0.000 -4.009) 4.108 7.084 ( -0.315 0.000 -0.254) 0.404 7.209 ( -0.344 0.000 -0.117) 0.363 7.312 ( 10.258 0.000 -4.216) 11.091 7.522 ( 7.104 0.000 -13.805) 15.525 7.586 ( -0.337 0.000 7.282) 7.290 7.770 ( 8.997 0.000 -4.589) 10.100 7.985 ( -0.201 0.000 -8.668) 8.671 8.064 ( 1.597 0.000 -8.085) 8.241 8.386 ( 0.925 0.000 7.143) 7.203 8.952 ( -0.767 0.000 -3.790) 3.867 9.127 ( -19.018 0.000 9.254) 21.149 9.269 ( 0.099 0.000 1.863) 1.866 9.365 ( -1.153 0.000 -1.475) 1.872 9.631 ( -8.004 0.000 1.264) 8.103 10.368 ( -0.998 0.000 8.257) 8.317 10.684 ( -0.872 0.000 9.997) 10.035 10.949 ( 0.374 0.000 -4.056) 4.073 12.093 ( 0.605 0.000 -8.173) 8.196 12.544 ( 0.214 0.000 -0.645) 0.679 12.868 ( -0.733 0.000 7.351) 7.387 12.922 ( 0.950 0.000 -1.327) 1.632 13.044 ( 1.286 0.000 0.614) 1.425 13.644 ( 2.380 0.000 -5.374) 5.878 14.026 ( 2.422 0.000 2.308) 3.345 14.182 ( 7.093 0.000 -10.503) 12.674 14.202 ( -2.418 0.000 -5.803) 6.287 14.399 ( -0.096 0.000 -6.802) 6.803 14.553 ( 11.526 0.000 -1.214) 11.589 15.188 ( -0.968 0.000 7.242) 7.306 15.526 ( 0.252 0.000 2.210) 2.225 15.980 ( -2.171 0.000 5.291) 5.719 16.344 ( -0.078 0.000 1.257) 1.259 16.488 ( -14.589 0.000 10.513) 17.982 16.916 ( -0.128 0.000 -3.905) 3.907 24.482 ( -0.668 0.000 0.037) 0.669 24.527 ( 0.105 0.000 -0.853) 0.860 24.607 ( -0.247 0.000 0.793) 0.830 24.659 ( 0.441 0.000 -0.089) 0.450 26.100 ( -0.310 0.000 2.541) 2.560 26.151 ( 1.015 0.000 -0.792) 1.287 26.254 ( -1.788 0.000 -0.538) 1.868 26.333 ( 5.971 0.000 -4.891) 7.718 26.683 ( -0.278 0.000 -0.620) 0.680 26.725 ( -0.106 0.000 3.149) 3.151 27.181 ( 0.365 0.000 -4.960) 4.974 27.251 ( 18.000 0.000 -9.976) 20.579 28.537 ( 0.144 0.000 5.225) 5.227 29.079 ( 0.856 0.000 -3.621) 3.721 29.422 ( -13.833 0.000 9.568) 16.820 29.739 ( -0.834 0.000 0.382) 0.918 ======================= Grid point 47 (18/80) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 15.143 0.000 9.638) 17.950 1.010 ( 11.415 0.000 12.533) 16.952 1.446 ( -11.775 0.000 0.353) 11.781 1.542 ( -18.825 0.000 11.684) 22.156 1.681 ( -2.169 0.000 -3.671) 4.264 1.858 ( 2.301 0.000 1.468) 2.729 1.872 ( -4.823 0.000 -5.048) 6.981 1.927 ( -1.997 0.000 6.311) 6.620 2.001 ( -2.537 0.000 -0.942) 2.706 2.065 ( 18.503 0.000 4.369) 19.012 2.132 ( -6.458 0.000 3.846) 7.517 2.294 ( -0.161 0.000 5.114) 5.117 2.331 ( 3.598 0.000 -2.627) 4.455 2.589 ( -3.637 0.000 5.027) 6.205 2.681 ( 0.205 0.000 -0.721) 0.749 2.948 ( 0.588 0.000 0.427) 0.726 3.040 ( 1.735 0.000 -2.599) 3.125 3.079 ( -2.234 0.000 -3.569) 4.211 3.126 ( 0.050 0.000 -0.924) 0.925 3.168 ( -1.612 0.000 1.603) 2.273 3.249 ( -2.398 0.000 5.993) 6.455 3.325 ( 6.830 0.000 -1.772) 7.056 3.362 ( -0.736 0.000 -3.055) 3.142 3.420 ( -3.819 0.000 0.864) 3.916 3.481 ( 3.901 0.000 1.653) 4.237 3.486 ( 3.499 0.000 -8.509) 9.201 3.632 ( -2.658 0.000 2.434) 3.604 3.695 ( 0.879 0.000 -1.716) 1.928 3.756 ( 3.319 0.000 -0.157) 3.322 3.852 ( 0.113 0.000 0.487) 0.500 4.038 ( -0.751 0.000 -0.236) 0.787 4.066 ( -0.180 0.000 7.002) 7.004 4.403 ( 0.607 0.000 -3.941) 3.987 4.517 ( 1.997 0.000 -8.481) 8.713 4.769 ( -0.648 0.000 -4.677) 4.722 5.038 ( 6.282 0.000 0.168) 6.284 5.144 ( -0.098 0.000 -16.447) 16.447 5.300 ( 0.718 0.000 -3.150) 3.231 5.382 ( -0.163 0.000 9.264) 9.265 5.533 ( -0.772 0.000 3.033) 3.130 5.924 ( -0.993 0.000 2.759) 2.932 6.414 ( 0.811 0.000 -4.962) 5.027 6.558 ( 0.649 0.000 -0.291) 0.711 6.919 ( -0.807 0.000 8.014) 8.055 7.023 ( -0.884 0.000 -2.129) 2.305 7.026 ( -0.746 0.000 4.800) 4.857 7.084 ( 0.511 0.000 -0.477) 0.699 7.195 ( -0.975 0.000 0.370) 1.043 7.378 ( 0.540 0.000 7.154) 7.174 7.591 ( -0.452 0.000 7.367) 7.381 7.621 ( 2.736 0.000 -10.890) 11.228 7.964 ( 8.254 0.000 -16.807) 18.724 7.968 ( 0.535 0.000 -8.778) 8.794 8.082 ( 1.196 0.000 -7.624) 7.717 8.455 ( 5.090 0.000 11.277) 12.373 8.755 ( -17.020 0.000 11.415) 20.494 8.943 ( 0.506 0.000 -2.751) 2.797 9.276 ( 0.233 0.000 2.397) 2.408 9.330 ( -1.545 0.000 -3.539) 3.862 9.572 ( -0.084 0.000 -4.455) 4.456 10.361 ( -0.954 0.000 7.802) 7.860 10.677 ( -1.316 0.000 9.497) 9.588 10.948 ( 0.249 0.000 -4.610) 4.617 12.092 ( 0.650 0.000 -8.413) 8.438 12.549 ( 0.253 0.000 0.148) 0.293 12.864 ( -0.777 0.000 7.354) 7.395 12.933 ( 0.154 0.000 -1.046) 1.057 13.067 ( 0.611 0.000 -0.163) 0.633 13.649 ( -0.228 0.000 -2.170) 2.182 14.061 ( -0.616 0.000 0.011) 0.616 14.183 ( 2.418 0.000 0.452) 2.460 14.268 ( 3.301 0.000 -10.852) 11.343 14.381 ( -0.332 0.000 -9.088) 9.094 14.777 ( 10.027 0.000 -3.872) 10.749 15.182 ( -0.747 0.000 7.113) 7.153 15.529 ( -0.416 0.000 1.262) 1.329 15.939 ( -2.554 0.000 4.730) 5.376 16.258 ( -9.511 0.000 12.512) 15.716 16.333 ( -1.000 0.000 0.366) 1.065 16.912 ( 0.445 0.000 -3.871) 3.896 24.471 ( -0.306 0.000 0.068) 0.314 24.525 ( -0.110 0.000 -1.111) 1.116 24.606 ( 0.045 0.000 1.016) 1.017 24.666 ( 0.197 0.000 -0.248) 0.317 26.091 ( -0.694 0.000 1.894) 2.017 26.179 ( 1.297 0.000 0.380) 1.351 26.210 ( -2.218 0.000 -1.499) 2.677 26.365 ( -0.451 0.000 2.013) 2.063 26.687 ( 0.478 0.000 -1.939) 1.997 26.727 ( -0.261 0.000 3.308) 3.318 27.181 ( 0.388 0.000 -4.948) 4.964 27.584 ( 15.058 0.000 -15.024) 21.271 28.563 ( 1.391 0.000 7.947) 8.068 29.092 ( 0.794 0.000 -3.124) 3.223 29.177 ( -11.459 0.000 8.921) 14.522 29.720 ( -0.800 0.000 -0.449) 0.918 ======================= Grid point 48 (19/80) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -15.823 0.000 10.164) 18.806 1.130 ( -18.801 0.000 -2.903) 19.024 1.225 ( 1.741 0.000 24.420) 24.482 1.488 ( 11.956 0.000 1.776) 12.087 1.528 ( -9.276 0.000 0.377) 9.284 1.780 ( -2.795 0.000 -9.573) 9.973 1.784 ( -3.981 0.000 -2.467) 4.684 1.881 ( 0.396 0.000 0.842) 0.931 1.899 ( -2.321 0.000 -3.632) 4.310 2.063 ( -0.810 0.000 3.298) 3.396 2.224 ( 0.043 0.000 0.723) 0.725 2.319 ( -4.231 0.000 6.852) 8.053 2.455 ( 5.214 0.000 -0.363) 5.227 2.659 ( -1.551 0.000 -1.086) 1.894 2.761 ( 15.828 0.000 11.058) 19.308 3.027 ( 4.212 0.000 -1.001) 4.329 3.081 ( 3.035 0.000 0.117) 3.037 3.084 ( 2.871 0.000 0.804) 2.981 3.124 ( -2.307 0.000 4.049) 4.660 3.129 ( 0.240 0.000 0.031) 0.242 3.205 ( -2.298 0.000 2.498) 3.394 3.337 ( -0.135 0.000 -2.261) 2.265 3.411 ( 1.843 0.000 0.472) 1.902 3.439 ( 0.022 0.000 -6.075) 6.075 3.516 ( 3.729 0.000 -4.715) 6.012 3.561 ( -4.391 0.000 1.697) 4.708 3.569 ( 4.904 0.000 4.130) 6.411 3.717 ( 1.594 0.000 -1.172) 1.978 3.808 ( 1.250 0.000 -0.952) 1.571 3.832 ( -2.144 0.000 0.787) 2.284 4.035 ( 0.799 0.000 -0.664) 1.038 4.055 ( -1.959 0.000 7.307) 7.565 4.387 ( -1.383 0.000 -4.303) 4.520 4.407 ( -9.924 0.000 -10.236) 14.257 4.791 ( 2.480 0.000 -5.038) 5.616 5.142 ( 3.961 0.000 1.619) 4.280 5.142 ( 2.612 0.000 -16.582) 16.787 5.305 ( 0.217 0.000 -3.144) 3.152 5.379 ( -1.745 0.000 8.360) 8.540 5.532 ( 0.182 0.000 3.993) 3.997 5.916 ( -0.172 0.000 2.484) 2.490 6.423 ( 0.810 0.000 -5.503) 5.562 6.564 ( -0.120 0.000 0.435) 0.451 6.895 ( -2.335 0.000 2.460) 3.392 6.997 ( -1.636 0.000 1.265) 2.068 7.019 ( -0.537 0.000 4.808) 4.838 7.101 ( 0.715 0.000 0.915) 1.162 7.179 ( -0.252 0.000 -0.317) 0.405 7.380 ( -2.535 0.000 6.118) 6.622 7.591 ( -0.674 0.000 6.701) 6.735 7.618 ( -0.779 0.000 -7.384) 7.425 7.932 ( -2.720 0.000 -16.138) 16.365 8.028 ( 0.633 0.000 -15.450) 15.463 8.080 ( -0.100 0.000 -7.447) 7.447 8.498 ( -9.451 0.000 8.232) 12.534 8.657 ( 12.614 0.000 18.338) 22.258 8.963 ( 1.528 0.000 -1.189) 1.936 9.276 ( -0.902 0.000 1.714) 1.937 9.314 ( 1.192 0.000 -4.407) 4.566 9.583 ( 1.984 0.000 -3.944) 4.415 10.358 ( -0.491 0.000 7.300) 7.317 10.667 ( -1.073 0.000 9.510) 9.570 10.944 ( 0.105 0.000 -4.890) 4.891 12.092 ( 0.760 0.000 -8.396) 8.430 12.555 ( 0.241 0.000 0.474) 0.532 12.862 ( -0.579 0.000 7.366) 7.389 12.925 ( -0.654 0.000 -1.527) 1.661 13.062 ( -0.912 0.000 -0.180) 0.929 13.638 ( -0.584 0.000 -1.855) 1.945 14.023 ( -2.024 0.000 -0.661) 2.129 14.270 ( 4.106 0.000 3.923) 5.679 14.297 ( 1.450 0.000 -8.327) 8.452 14.358 ( -0.110 0.000 -10.773) 10.773 14.925 ( 4.223 0.000 -9.788) 10.660 15.183 ( -0.292 0.000 7.159) 7.165 15.505 ( -1.855 0.000 -1.747) 2.548 15.914 ( 0.168 0.000 10.594) 10.595 16.133 ( -4.952 0.000 11.750) 12.751 16.315 ( -0.562 0.000 -0.558) 0.792 16.919 ( 0.775 0.000 -3.422) 3.509 24.471 ( 0.295 0.000 0.100) 0.312 24.521 ( -0.048 0.000 -1.173) 1.174 24.610 ( 0.152 0.000 1.100) 1.110 24.664 ( -0.307 0.000 -0.346) 0.463 26.082 ( -0.471 0.000 1.533) 1.603 26.154 ( -3.133 0.000 -3.364) 4.597 26.194 ( -0.082 0.000 1.039) 1.042 26.351 ( -1.118 0.000 3.073) 3.270 26.691 ( 0.238 0.000 -1.675) 1.691 26.725 ( -0.411 0.000 3.186) 3.212 27.181 ( 0.433 0.000 -4.940) 4.959 27.800 ( 8.198 0.000 -19.500) 21.153 28.627 ( 3.058 0.000 12.901) 13.259 28.987 ( -7.770 0.000 8.940) 11.845 29.095 ( -0.021 0.000 -3.009) 3.009 29.714 ( 0.382 0.000 -0.719) 0.814 ======================= Grid point 49 (20/80) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -14.727 0.000 17.646) 22.984 0.679 ( -22.672 0.000 9.606) 24.623 1.022 ( -15.731 0.000 35.478) 38.809 1.590 ( 5.001 0.000 -0.806) 5.065 1.647 ( 2.588 0.000 -3.491) 4.346 1.783 ( 3.832 0.000 -0.783) 3.912 1.784 ( 4.520 0.000 -3.813) 5.913 1.893 ( 0.479 0.000 1.964) 2.022 1.960 ( 7.320 0.000 -1.929) 7.570 2.111 ( 5.341 0.000 -1.386) 5.518 2.176 ( -1.946 0.000 3.381) 3.900 2.294 ( 0.072 0.000 6.288) 6.288 2.491 ( -1.172 0.000 0.233) 1.195 2.635 ( -0.707 0.000 -0.563) 0.904 2.894 ( -2.482 0.000 -7.019) 7.445 2.976 ( -6.561 0.000 5.631) 8.646 3.065 ( 0.004 0.000 0.729) 0.729 3.102 ( -1.352 0.000 -2.273) 2.645 3.169 ( -1.336 0.000 -2.256) 2.622 3.172 ( 2.971 0.000 1.461) 3.311 3.311 ( -4.194 0.000 -8.905) 9.844 3.340 ( 7.213 0.000 4.071) 8.282 3.363 ( -2.341 0.000 -4.454) 5.032 3.485 ( 8.609 0.000 3.007) 9.119 3.485 ( -1.699 0.000 3.957) 4.306 3.595 ( 1.928 0.000 -3.389) 3.899 3.687 ( 2.476 0.000 -1.421) 2.854 3.745 ( 3.139 0.000 1.882) 3.660 3.772 ( -3.414 0.000 3.653) 5.000 3.791 ( -2.386 0.000 0.476) 2.433 4.031 ( -0.972 0.000 5.203) 5.293 4.070 ( 1.981 0.000 -0.600) 2.070 4.121 ( -14.891 0.000 -7.569) 16.704 4.356 ( -0.400 0.000 -4.164) 4.183 4.827 ( 1.837 0.000 -7.160) 7.391 5.177 ( 2.931 0.000 -16.645) 16.902 5.198 ( -1.035 0.000 -1.768) 2.049 5.302 ( 0.191 0.000 -5.161) 5.164 5.341 ( -2.566 0.000 6.856) 7.320 5.548 ( 0.392 0.000 5.812) 5.825 5.930 ( 1.509 0.000 2.499) 2.919 6.425 ( 0.272 0.000 -5.612) 5.619 6.555 ( -0.617 0.000 -0.663) 0.906 6.811 ( -7.876 0.000 -9.555) 12.383 6.946 ( -4.179 0.000 7.615) 8.686 7.022 ( -0.053 0.000 5.711) 5.712 7.103 ( -0.581 0.000 1.793) 1.884 7.189 ( 1.140 0.000 -1.316) 1.741 7.241 ( -10.610 0.000 -2.526) 10.907 7.586 ( -0.751 0.000 6.224) 6.269 7.604 ( 0.289 0.000 -1.020) 1.060 7.750 ( -10.187 0.000 -18.780) 21.365 8.011 ( 0.276 0.000 -9.240) 9.244 8.061 ( -0.252 0.000 -7.768) 7.772 8.394 ( -2.821 0.000 7.153) 7.689 8.985 ( 0.523 0.000 -1.514) 1.602 9.026 ( 19.235 0.000 17.374) 25.920 9.263 ( -0.310 0.000 0.344) 0.463 9.346 ( 2.024 0.000 -2.219) 3.004 9.676 ( 9.545 0.000 2.615) 9.897 10.364 ( -0.210 0.000 7.431) 7.434 10.668 ( -0.445 0.000 9.994) 10.004 10.939 ( 0.305 0.000 -4.697) 4.706 12.094 ( 0.763 0.000 -8.247) 8.282 12.558 ( -0.041 0.000 0.216) 0.220 12.864 ( -0.477 0.000 7.407) 7.423 12.908 ( -0.461 0.000 -2.104) 2.154 13.038 ( -1.181 0.000 0.586) 1.318 13.603 ( -3.153 0.000 -3.205) 4.496 13.992 ( -0.911 0.000 0.501) 1.039 14.302 ( -0.815 0.000 -5.493) 5.553 14.312 ( 1.398 0.000 -5.637) 5.808 14.373 ( 2.526 0.000 -3.503) 4.319 14.776 ( -19.914 0.000 -27.390) 33.864 15.191 ( -0.260 0.000 7.332) 7.336 15.483 ( 0.746 0.000 0.896) 1.166 16.021 ( 2.612 0.000 10.386) 10.709 16.148 ( 12.522 0.000 23.444) 26.579 16.314 ( 0.594 0.000 -0.247) 0.643 16.927 ( 0.462 0.000 -3.175) 3.208 24.480 ( 0.463 0.000 0.125) 0.480 24.521 ( 0.183 0.000 -0.981) 0.998 24.614 ( -0.044 0.000 0.956) 0.957 24.655 ( -0.360 0.000 -0.243) 0.434 26.056 ( -6.152 0.000 -4.185) 7.440 26.079 ( 0.041 0.000 1.356) 1.356 26.181 ( -1.238 0.000 0.881) 1.519 26.331 ( -1.338 0.000 2.568) 2.896 26.694 ( 0.374 0.000 -0.985) 1.053 26.722 ( -0.335 0.000 2.952) 2.971 27.182 ( 0.436 0.000 -4.946) 4.966 27.750 ( -13.209 0.000 -33.988) 36.465 28.627 ( -5.748 0.000 5.069) 7.664 29.079 ( 18.102 0.000 28.086) 33.414 29.084 ( -0.396 0.000 -3.457) 3.479 29.730 ( 1.014 0.000 -0.035) 1.014 ======================= Grid point 50 (21/80) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 2.083 15.339 14.244) 21.036 0.778 ( 1.566 19.815 18.874) 27.410 1.321 ( 2.331 29.000 26.527) 39.371 1.658 ( -1.468 5.075 -4.213) 6.757 1.765 ( 5.244 0.524 -1.110) 5.386 1.865 ( 5.005 7.649 0.456) 9.152 1.874 ( 1.654 0.981 5.911) 6.216 1.947 ( -1.304 6.507 0.478) 6.654 2.052 ( 1.152 -0.786 -1.982) 2.423 2.122 ( -2.163 -0.761 2.927) 3.718 2.233 ( -9.425 3.995 11.850) 15.660 2.302 ( 8.456 2.993 -5.518) 10.532 2.493 ( -5.556 4.052 4.499) 8.218 2.632 ( 0.968 0.723 1.828) 2.191 2.800 ( 2.358 0.039 -1.453) 2.770 2.915 ( -1.585 1.081 1.979) 2.756 3.035 ( -2.379 0.087 -3.446) 4.188 3.078 ( 1.120 -0.064 0.774) 1.363 3.127 ( -0.673 -2.547 -2.696) 3.769 3.167 ( -3.194 -0.757 -3.406) 4.730 3.245 ( 2.609 3.221 -5.760) 7.097 3.332 ( 0.837 -0.199 -5.326) 5.395 3.411 ( -1.372 -1.141 -1.265) 2.187 3.493 ( -5.951 4.027 -4.798) 8.640 3.576 ( 1.414 4.349 1.984) 4.985 3.622 ( -6.686 1.726 -0.095) 6.906 3.653 ( 1.730 -0.487 1.012) 2.062 3.745 ( 0.662 -0.560 1.722) 1.928 3.756 ( -5.993 -1.406 -0.629) 6.187 3.943 ( 13.088 2.416 3.329) 13.719 3.999 ( -6.136 7.241 -1.606) 9.626 4.102 ( 2.052 4.855 1.224) 5.411 4.175 ( -0.643 8.471 -2.976) 9.002 4.405 ( 1.685 4.554 -3.760) 6.141 4.810 ( -7.782 -6.608 0.306) 10.214 4.846 ( 1.182 2.390 -2.640) 3.752 5.242 ( -0.283 -1.171 -1.419) 1.862 5.273 ( 0.209 3.525 -8.649) 9.342 5.390 ( 1.979 3.322 -3.221) 5.033 5.582 ( -1.215 0.005 7.584) 7.681 6.038 ( 0.385 7.429 1.458) 7.581 6.419 ( -0.860 -1.259 -8.004) 8.148 6.558 ( -3.140 -0.631 -2.265) 3.923 6.692 ( 14.063 -3.653 -1.823) 14.644 6.821 ( -2.117 -3.734 7.806) 8.908 6.937 ( -3.486 -5.584 3.329) 7.377 7.100 ( 0.112 -4.405 -0.263) 4.414 7.270 ( 2.055 7.045 -4.708) 8.719 7.300 ( 2.064 9.211 3.452) 10.050 7.565 ( 0.309 -1.041 -1.536) 1.881 7.577 ( -5.015 1.672 0.577) 5.318 7.746 ( 2.807 4.083 -3.730) 6.202 8.039 ( 1.060 5.483 -11.068) 12.397 8.056 ( 0.546 0.443 -7.057) 7.092 8.340 ( -1.139 -2.933 6.623) 7.332 8.910 ( 0.528 -14.863 4.539) 15.549 9.075 ( -0.191 -5.435 8.514) 10.103 9.268 ( 0.554 -1.711 -0.288) 1.822 9.382 ( 0.445 0.371 -0.122) 0.592 9.653 ( -0.947 -7.677 2.254) 8.057 10.336 ( -0.980 -3.653 7.504) 8.403 10.655 ( 0.073 -8.737 6.772) 11.054 11.024 ( -0.071 9.148 -4.455) 10.176 12.025 ( 0.706 -6.385 -7.759) 10.073 12.509 ( -0.101 -3.305 -0.679) 3.375 12.799 ( -0.719 -6.019 6.175) 8.654 13.035 ( 0.492 5.173 -2.474) 5.755 13.223 ( 0.888 14.864 -7.869) 16.842 13.552 ( 1.949 2.599 -2.407) 4.043 13.988 ( 0.866 -1.987 -1.201) 2.478 14.100 ( 2.122 -11.246 -6.044) 12.942 14.157 ( -10.544 -2.134 -0.591) 10.774 14.332 ( -2.910 -0.124 1.285) 3.184 14.544 ( 3.592 5.751 -5.746) 8.888 15.193 ( -0.669 -0.214 6.928) 6.963 15.488 ( 0.824 -2.362 1.935) 3.162 16.013 ( -1.754 0.280 6.988) 7.210 16.225 ( 5.360 -15.726 20.912) 26.709 16.384 ( 1.737 1.208 1.547) 2.621 16.927 ( -0.401 -1.072 -2.525) 2.772 24.471 ( -0.017 -1.163 0.304) 1.202 24.543 ( 0.206 0.653 -1.614) 1.753 24.637 ( -0.191 1.790 0.446) 1.854 24.654 ( 0.090 0.314 -0.113) 0.345 25.988 ( 3.267 -1.761 2.073) 4.251 26.101 ( 0.220 0.986 1.486) 1.797 26.204 ( 2.165 1.178 -0.840) 2.605 26.275 ( -1.892 -2.590 1.735) 3.646 26.640 ( 1.490 -2.607 -0.299) 3.018 26.904 ( 0.217 -1.696 -1.574) 2.324 27.118 ( -1.352 11.012 -12.348) 16.600 27.414 ( -9.159 10.830 -6.513) 15.608 28.561 ( -1.671 1.661 4.924) 5.459 29.050 ( 0.087 -2.494 -3.389) 4.209 29.231 ( 5.770 -12.928 21.836) 26.024 29.746 ( 0.023 -3.525 -0.865) 3.629 ======================= Grid point 51 (22/80) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 8.398 12.302 12.727) 19.592 0.952 ( 11.265 18.910 14.309) 26.254 1.583 ( 16.440 12.272 19.296) 28.164 1.693 ( 3.744 3.053 -1.049) 4.944 1.739 ( -8.858 2.474 0.921) 9.243 1.870 ( -0.629 1.997 -1.657) 2.671 1.921 ( -1.956 3.308 6.833) 7.839 1.950 ( -8.745 6.326 7.026) 12.879 2.018 ( -4.476 4.008 -1.151) 6.118 2.054 ( 7.203 10.680 6.000) 14.211 2.192 ( 4.934 -3.777 5.005) 7.979 2.341 ( -9.128 3.467 4.288) 10.664 2.388 ( -0.238 1.329 -7.082) 7.209 2.638 ( -2.523 2.501 -2.029) 4.091 2.783 ( 0.185 4.670 -1.461) 4.896 2.921 ( -0.647 -1.970 -3.906) 4.422 3.022 ( 2.218 -0.493 -2.470) 3.356 3.094 ( -0.114 -3.641 0.229) 3.650 3.138 ( 1.001 -1.539 -1.672) 2.484 3.176 ( 2.814 -3.320 2.442) 4.991 3.265 ( 0.603 3.354 -8.991) 9.615 3.322 ( -4.802 3.107 -1.799) 5.996 3.366 ( 0.576 0.285 -6.003) 6.037 3.415 ( -0.331 -2.625 2.101) 3.379 3.530 ( -3.498 5.213 0.813) 6.330 3.593 ( -7.373 0.968 -1.358) 7.559 3.615 ( 1.717 3.761 0.136) 4.137 3.668 ( -0.300 1.422 0.884) 1.701 3.809 ( 2.306 2.943 1.626) 4.077 3.845 ( -3.220 5.184 0.279) 6.109 4.075 ( -0.848 5.231 0.011) 5.299 4.142 ( 1.250 4.268 3.115) 5.430 4.284 ( 11.268 -4.116 -1.866) 12.141 4.429 ( 1.208 4.624 -3.282) 5.798 4.763 ( 0.166 -4.241 -3.733) 5.652 4.926 ( 6.110 3.532 -0.876) 7.111 5.228 ( -1.828 -1.412 -0.843) 2.459 5.252 ( 0.350 4.978 -10.243) 11.394 5.408 ( 0.256 1.724 -1.242) 2.140 5.569 ( -1.025 0.453 6.348) 6.446 6.035 ( -0.639 8.424 1.480) 8.577 6.397 ( -0.065 -1.463 -4.151) 4.401 6.538 ( 0.483 -0.850 -2.030) 2.253 6.801 ( -0.703 -5.397 5.480) 7.724 6.876 ( -1.058 -6.069 6.131) 8.692 7.016 ( 9.514 -8.534 -2.367) 12.998 7.095 ( -0.607 -4.933 0.162) 4.973 7.281 ( -0.279 7.602 -1.131) 7.691 7.415 ( 7.387 7.277 -3.777) 11.036 7.509 ( -1.295 0.270 1.383) 1.914 7.588 ( 1.984 -0.924 -2.203) 3.105 7.830 ( 6.130 2.691 -6.428) 9.281 8.037 ( 0.503 6.450 -10.642) 12.454 8.066 ( 1.547 0.251 -7.439) 7.602 8.341 ( 0.342 -3.828 7.287) 8.239 8.853 ( -7.642 -14.772 8.522) 18.688 9.024 ( -3.969 -0.071 2.782) 4.847 9.266 ( -0.474 -1.358 0.011) 1.439 9.367 ( -1.510 0.212 0.019) 1.525 9.602 ( -2.298 -1.880 -1.448) 3.304 10.332 ( -0.616 -3.407 7.407) 8.176 10.640 ( -1.981 -6.920 7.684) 10.529 11.008 ( -0.228 7.374 -3.479) 8.157 12.026 ( 0.627 -6.288 -7.895) 10.112 12.511 ( 0.250 -3.135 -0.103) 3.147 12.796 ( -0.575 -6.246 5.934) 8.635 13.043 ( 0.357 6.267 -2.223) 6.659 13.143 ( -3.178 11.213 0.697) 11.676 13.647 ( 3.017 1.172 -6.066) 6.875 14.008 ( 1.756 -2.596 0.589) 3.189 14.053 ( 0.552 -9.062 -6.409) 11.114 14.264 ( -2.080 1.675 -1.835) 3.240 14.284 ( 9.879 -6.153 -8.302) 14.296 14.625 ( 5.183 4.010 -2.591) 7.046 15.186 ( -1.032 -0.332 6.725) 6.812 15.499 ( -0.011 -2.757 2.027) 3.423 15.986 ( -2.020 0.663 5.997) 6.362 16.269 ( -3.330 -12.269 16.242) 20.625 16.388 ( -1.422 1.650 1.801) 2.826 16.909 ( -0.467 -1.015 -3.368) 3.548 24.466 ( -0.450 -1.079 0.234) 1.192 24.536 ( -0.341 0.520 -1.037) 1.209 24.629 ( -0.441 1.759 0.467) 1.873 24.659 ( 0.370 0.166 -0.109) 0.420 26.062 ( 1.769 -4.118 1.003) 4.593 26.115 ( 0.930 -1.233 0.872) 1.773 26.236 ( -1.810 -1.919 0.312) 2.657 26.280 ( 3.557 -1.811 2.104) 4.512 26.619 ( -2.411 -1.740 2.270) 3.741 27.000 ( 6.874 -9.356 -6.700) 13.405 27.058 ( -1.661 18.927 -9.111) 21.072 27.406 ( 7.537 9.077 -6.572) 13.505 28.555 ( 0.067 1.820 4.941) 5.266 29.053 ( 0.679 -2.578 -2.912) 3.948 29.264 ( -4.720 -9.245 15.087) 18.313 29.717 ( -1.953 -3.333 -0.338) 3.878 ======================= Grid point 52 (23/80) ======================= q-point: ( 0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 10.609 4.748 8.175) 14.210 1.216 ( 9.347 16.200 10.253) 21.329 1.491 ( -10.303 2.711 5.128) 11.824 1.621 ( -16.076 8.855 12.921) 22.446 1.710 ( -3.754 3.640 -4.904) 7.168 1.798 ( 3.613 -3.287 1.464) 5.099 1.899 ( -5.768 3.105 -2.256) 6.929 1.984 ( -1.327 2.053 -3.770) 4.494 2.064 ( 2.527 7.069 3.031) 8.096 2.123 ( 5.868 2.982 4.864) 8.184 2.188 ( -3.905 5.538 7.344) 9.993 2.300 ( 3.258 1.931 2.144) 4.352 2.371 ( 2.784 4.476 -3.101) 6.116 2.536 ( -3.486 1.300 0.947) 3.839 2.866 ( 6.761 8.177 -0.666) 10.631 2.905 ( 0.570 -1.782 0.464) 1.928 3.049 ( -0.267 0.190 -2.287) 2.311 3.090 ( -0.145 -2.983 -0.025) 2.987 3.131 ( -6.009 4.537 0.384) 7.539 3.166 ( -0.292 0.241 -0.257) 0.458 3.218 ( 0.051 -2.864 4.903) 5.678 3.302 ( -0.519 -1.042 -2.600) 2.849 3.374 ( -0.113 0.417 -2.952) 2.983 3.402 ( 4.343 -0.496 -6.675) 7.979 3.514 ( 0.487 0.082 3.976) 4.006 3.544 ( 0.637 2.869 0.014) 2.939 3.650 ( 0.725 2.441 1.062) 2.759 3.681 ( 1.761 6.696 -3.562) 7.786 3.790 ( -0.508 1.333 2.559) 2.930 3.887 ( 2.244 4.664 1.203) 5.314 4.059 ( -0.369 2.265 0.227) 2.306 4.148 ( -1.282 5.262 3.837) 6.638 4.419 ( 1.557 -3.164 -4.336) 5.589 4.445 ( 0.537 -0.081 -4.543) 4.576 4.758 ( 0.565 -1.800 -4.569) 4.943 5.045 ( 4.730 1.740 -0.548) 5.070 5.185 ( -0.750 0.759 -6.931) 7.013 5.249 ( 0.237 2.135 -2.923) 3.627 5.399 ( -0.970 -0.722 -0.816) 1.459 5.568 ( -0.028 1.798 5.860) 6.129 6.024 ( -0.578 9.073 1.114) 9.159 6.396 ( 0.494 -1.705 -3.303) 3.749 6.551 ( 0.785 -0.757 -1.090) 1.542 6.801 ( -0.410 -6.557 1.926) 6.846 6.855 ( -1.427 -6.184 7.585) 9.890 7.076 ( -0.809 -7.038 0.060) 7.084 7.133 ( 2.915 -0.737 2.672) 4.022 7.263 ( -1.289 7.069 1.161) 7.279 7.457 ( -1.280 4.159 2.242) 4.895 7.563 ( 3.794 0.977 -0.515) 3.951 7.620 ( 1.167 -0.897 -5.270) 5.471 7.940 ( 4.716 -1.963 -13.366) 14.309 8.030 ( 0.662 6.165 -10.532) 12.221 8.084 ( 1.138 0.176 -6.865) 6.961 8.396 ( 4.173 -5.096 10.235) 12.171 8.649 ( -11.984 -8.611 11.601) 18.771 8.986 ( 0.097 3.180 -2.686) 4.164 9.261 ( -0.055 -1.505 0.991) 1.803 9.331 ( -1.620 0.034 -2.070) 2.629 9.577 ( 0.022 -0.127 -4.375) 4.376 10.333 ( -0.468 -2.682 7.163) 7.663 10.615 ( -1.658 -6.393 7.709) 10.151 11.005 ( 0.256 5.986 -3.183) 6.785 12.025 ( 0.573 -6.287 -8.116) 10.283 12.516 ( 0.196 -3.044 0.567) 3.103 12.795 ( -0.491 -6.278 6.472) 9.030 13.037 ( -0.405 8.149 -1.538) 8.302 13.120 ( -0.290 5.881 1.395) 6.052 13.660 ( 0.100 1.772 -3.974) 4.352 14.018 ( -0.439 -6.596 -4.956) 8.262 14.093 ( 2.473 -6.862 -1.813) 7.516 14.217 ( -0.302 -1.273 0.322) 1.348 14.436 ( 5.376 1.322 -12.246) 13.440 14.739 ( 5.616 -2.739 -2.092) 6.590 15.177 ( -0.822 -0.540 6.456) 6.531 15.494 ( -0.790 -3.297 1.069) 3.555 15.952 ( -2.198 1.259 5.952) 6.469 16.189 ( -5.707 -5.504 13.651) 15.786 16.362 ( -1.167 2.859 0.307) 3.103 16.904 ( 0.461 -1.014 -3.605) 3.773 24.459 ( -0.228 -0.880 0.206) 0.932 24.529 ( -0.221 0.201 -1.039) 1.081 24.625 ( -0.034 1.643 0.645) 1.766 24.665 ( 0.161 -0.021 -0.173) 0.238 26.073 ( -0.386 -1.898 0.981) 2.171 26.134 ( 0.502 -3.974 -0.461) 4.032 26.202 ( -1.293 -0.489 0.383) 1.434 26.326 ( 0.552 -2.392 4.398) 5.037 26.589 ( -0.918 -1.969 3.081) 3.770 27.015 ( -1.012 15.832 -7.875) 17.711 27.088 ( 2.708 -6.875 -4.531) 8.667 27.598 ( 10.594 2.200 -10.706) 15.221 28.576 ( 0.977 1.391 7.065) 7.266 29.061 ( 0.041 -2.708 -0.998) 2.886 29.149 ( -7.217 -1.828 8.463) 11.271 29.686 ( -0.819 -3.451 -0.269) 3.557 ======================= Grid point 53 (24/80) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -13.514 3.687 10.790) 17.682 1.182 ( -11.692 5.989 0.659) 13.153 1.405 ( 2.150 14.594 18.945) 24.011 1.590 ( 3.410 9.008 3.669) 10.307 1.626 ( 2.523 8.156 -1.875) 8.740 1.758 ( -6.578 4.811 -4.183) 9.161 1.848 ( 1.208 -1.633 -3.663) 4.189 1.878 ( -1.928 3.564 -1.817) 4.441 2.030 ( -5.272 12.225 -2.758) 13.596 2.079 ( -1.279 1.491 3.487) 4.002 2.175 ( -2.176 -3.924 1.925) 4.882 2.325 ( -2.141 1.577 5.136) 5.784 2.466 ( 6.172 0.142 -0.271) 6.179 2.649 ( 4.629 2.689 2.151) 5.769 2.874 ( -0.801 4.097 1.530) 4.446 3.008 ( 1.102 -1.525 0.787) 2.039 3.053 ( 1.752 0.994 -1.470) 2.494 3.094 ( -0.040 -3.771 1.681) 4.129 3.116 ( -1.554 0.753 2.150) 2.758 3.149 ( 8.248 3.276 0.166) 8.876 3.243 ( 2.269 3.517 5.820) 7.168 3.317 ( 1.324 -1.303 0.215) 1.870 3.348 ( -1.176 -2.669 -5.623) 6.334 3.473 ( 3.071 -2.222 -3.383) 5.080 3.529 ( -1.272 1.461 0.353) 1.969 3.585 ( 4.313 1.908 2.372) 5.279 3.634 ( -2.854 7.555 -1.446) 8.205 3.727 ( 3.303 3.572 -0.452) 4.886 3.799 ( -0.134 1.141 3.603) 3.781 3.922 ( 1.361 7.379 -0.021) 7.504 4.060 ( 0.490 1.026 0.418) 1.212 4.104 ( -3.294 4.589 3.129) 6.457 4.359 ( -7.301 -3.511 -6.928) 10.659 4.407 ( -1.558 2.271 -4.732) 5.475 4.778 ( 1.824 -1.290 -4.311) 4.855 5.095 ( 0.231 -2.485 -0.441) 2.534 5.197 ( 2.579 0.182 -4.370) 5.078 5.256 ( 0.997 3.471 -3.919) 5.329 5.369 ( -1.584 -2.069 -1.549) 3.032 5.580 ( 0.041 2.199 6.579) 6.938 6.017 ( -0.167 9.130 0.878) 9.173 6.403 ( 0.692 -1.823 -3.513) 4.018 6.559 ( 0.148 -0.740 -1.205) 1.422 6.773 ( -2.335 -7.945 -2.049) 8.531 6.854 ( -0.555 -4.473 10.724) 11.632 7.065 ( -0.254 -6.363 0.404) 6.380 7.173 ( 0.692 0.068 0.650) 0.952 7.239 ( -1.305 6.988 4.587) 8.460 7.408 ( -4.287 2.025 -0.086) 4.742 7.605 ( -0.612 -0.575 -6.931) 6.982 7.624 ( 1.433 3.922 3.704) 5.582 7.929 ( -3.507 -4.558 -18.468) 19.343 8.029 ( 0.931 5.099 -10.180) 11.424 8.084 ( -0.100 0.070 -6.910) 6.911 8.448 ( -6.694 -5.095 8.036) 11.634 8.568 ( 8.284 -6.586 16.267) 19.406 9.004 ( 1.654 3.148 -1.632) 3.913 9.263 ( -0.327 -1.498 1.892) 2.435 9.313 ( 0.868 0.068 -3.988) 4.082 9.583 ( 1.306 -0.405 -4.202) 4.419 10.337 ( -0.287 -2.289 6.908) 7.283 10.603 ( -0.660 -6.460 7.587) 9.986 11.006 ( 0.439 6.301 -3.169) 7.067 12.024 ( 0.632 -6.382 -8.111) 10.339 12.520 ( -0.006 -3.207 0.535) 3.251 12.798 ( -0.369 -6.079 6.970) 9.257 13.029 ( 0.048 8.404 -2.148) 8.675 13.115 ( -0.409 5.642 1.287) 5.801 13.650 ( -0.514 1.812 -3.704) 4.155 13.995 ( -0.882 -4.424 -3.362) 5.626 14.096 ( -0.720 -10.364 -4.794) 11.442 14.272 ( 3.945 -0.827 3.105) 5.088 14.485 ( 1.836 4.917 -10.454) 11.697 14.794 ( -1.409 -10.650 -6.289) 12.448 15.177 ( -0.188 -0.562 6.545) 6.572 15.471 ( -1.245 -2.983 -0.401) 3.258 15.933 ( -0.234 1.714 10.217) 10.363 16.109 ( -4.018 -2.030 11.588) 12.431 16.345 ( -0.369 3.038 -0.443) 3.092 16.913 ( 0.938 -0.880 -3.090) 3.347 24.459 ( 0.234 -0.874 0.241) 0.936 24.525 ( 0.069 0.177 -1.131) 1.147 24.629 ( 0.238 1.618 0.734) 1.793 24.664 ( -0.221 0.049 -0.237) 0.328 26.055 ( -1.596 -2.875 -0.189) 3.293 26.125 ( -1.176 -1.641 0.188) 2.027 26.190 ( -0.137 -0.668 -0.035) 0.683 26.327 ( -0.992 -1.958 4.596) 5.093 26.586 ( 0.009 -2.365 2.867) 3.716 26.981 ( -1.288 11.948 -5.546) 13.235 27.120 ( 1.497 -3.058 -5.558) 6.518 27.747 ( 4.816 -2.980 -13.631) 14.761 28.614 ( 0.992 -0.337 10.094) 10.148 29.004 ( -5.042 2.047 10.161) 11.526 29.076 ( -0.587 -2.102 -2.904) 3.633 29.686 ( 0.920 -3.023 -0.423) 3.188 ======================= Grid point 54 (25/80) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -13.575 9.270 12.615) 20.721 0.876 ( -13.734 15.051 13.671) 24.536 1.372 ( -9.095 28.954 18.567) 35.577 1.660 ( 8.237 2.393 2.333) 8.889 1.691 ( 1.335 3.935 -1.061) 4.289 1.757 ( 0.246 6.333 -5.148) 8.165 1.858 ( 1.021 3.428 -2.890) 4.599 1.947 ( 4.795 4.798 -1.124) 6.875 1.977 ( 3.703 1.902 1.666) 4.484 2.118 ( -0.475 -1.658 2.310) 2.883 2.141 ( 4.724 1.488 0.513) 4.979 2.315 ( -1.244 2.156 8.452) 8.811 2.539 ( 0.971 1.593 0.340) 1.896 2.631 ( -2.348 2.728 0.301) 3.611 2.847 ( -4.183 -3.223 -2.586) 5.880 2.977 ( -3.678 0.273 5.568) 6.679 3.056 ( 0.078 -0.765 1.968) 2.112 3.090 ( -1.056 -1.382 -2.309) 2.891 3.122 ( 2.297 -1.855 -0.469) 2.990 3.210 ( -0.322 2.880 -1.458) 3.244 3.278 ( -4.306 -1.605 -7.074) 8.436 3.322 ( 1.041 0.137 -4.098) 4.230 3.456 ( 2.024 2.518 1.427) 3.532 3.518 ( 3.295 2.581 1.803) 4.558 3.537 ( 2.722 -0.088 -0.060) 2.725 3.582 ( 1.941 5.578 -0.360) 5.917 3.680 ( 5.483 -0.566 1.489) 5.710 3.748 ( -3.656 1.190 2.464) 4.566 3.784 ( -0.110 2.985 3.025) 4.252 3.912 ( -3.715 3.268 -5.641) 7.503 4.043 ( -2.180 3.296 5.204) 6.534 4.116 ( 4.420 5.490 -0.627) 7.076 4.160 ( -8.322 4.526 -3.999) 10.282 4.386 ( 0.496 3.160 -4.400) 5.440 4.808 ( 1.891 -1.176 -5.554) 5.984 5.040 ( -7.153 -8.468 0.926) 11.123 5.249 ( 2.791 1.349 -5.294) 6.135 5.259 ( -0.502 0.237 -3.000) 3.051 5.354 ( 1.299 1.959 -4.681) 5.238 5.588 ( -0.556 1.198 7.795) 7.906 6.021 ( 0.494 8.574 0.984) 8.644 6.416 ( 1.432 -1.307 -5.229) 5.577 6.561 ( 1.001 -0.379 -1.922) 2.200 6.692 ( -5.758 -7.290 -4.471) 10.310 6.850 ( -1.706 -3.669 10.224) 10.995 7.052 ( -3.272 -5.556 0.016) 6.448 7.124 ( -4.893 -4.120 -0.306) 6.404 7.240 ( 0.541 6.710 4.996) 8.383 7.304 ( -2.789 7.272 -4.796) 9.147 7.575 ( -0.975 -0.878 -1.906) 2.314 7.653 ( -0.202 4.923 4.200) 6.475 7.777 ( -5.956 -2.305 -16.824) 17.995 8.034 ( 1.187 5.094 -10.643) 11.859 8.065 ( -0.277 0.176 -7.004) 7.012 8.366 ( -2.750 -2.652 7.262) 8.206 8.792 ( 9.037 -15.220 16.235) 24.018 9.037 ( 1.685 2.292 1.221) 3.096 9.258 ( 0.045 -1.013 0.557) 1.156 9.349 ( 2.488 0.162 -1.757) 3.051 9.619 ( 2.638 -3.052 -1.103) 4.183 10.341 ( -0.584 -2.937 7.013) 7.625 10.620 ( 1.190 -6.978 7.466) 10.288 11.015 ( 1.026 7.981 -3.510) 8.779 12.024 ( 0.699 -6.440 -7.894) 10.211 12.516 ( -0.353 -3.513 -0.138) 3.534 12.801 ( -0.489 -5.945 6.899) 9.120 13.032 ( 0.492 6.948 -3.544) 7.815 13.132 ( 3.163 10.355 0.687) 10.849 13.615 ( -2.793 1.849 -4.463) 5.580 13.980 ( -0.130 -2.316 -1.072) 2.555 14.078 ( 0.257 -12.018 -6.433) 13.634 14.336 ( 0.924 -1.208 2.771) 3.161 14.500 ( 1.846 6.027 -9.094) 11.065 14.579 ( -18.650 -13.240 -11.490) 25.595 15.189 ( -0.028 -0.322 6.941) 6.949 15.464 ( 0.763 -1.978 1.078) 2.379 16.003 ( 3.891 -1.421 14.154) 14.747 16.075 ( 0.103 -3.135 15.321) 15.639 16.351 ( 1.044 3.334 -0.285) 3.505 16.927 ( 0.702 -0.789 -2.549) 2.759 24.467 ( 0.359 -0.993 0.287) 1.094 24.531 ( 0.767 0.480 -1.207) 1.508 24.635 ( 0.191 1.763 0.616) 1.877 24.657 ( -0.330 0.258 -0.207) 0.467 26.002 ( -3.163 -2.810 -0.683) 4.286 26.104 ( -0.768 1.496 1.610) 2.328 26.188 ( 0.114 -0.433 -0.830) 0.943 26.307 ( -1.598 -2.254 3.450) 4.420 26.601 ( 1.235 -2.320 1.923) 3.256 26.942 ( -1.923 6.379 -3.369) 7.465 27.134 ( 0.907 1.117 -7.827) 7.958 27.688 ( -9.188 -2.185 -18.221) 20.524 28.608 ( -3.181 -0.561 6.864) 7.586 29.031 ( 6.252 -0.562 21.434) 22.334 29.060 ( -0.421 -2.544 -2.994) 3.951 29.718 ( 2.032 -2.660 -0.460) 3.379 ======================= Grid point 55 (26/80) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 3.601 16.822 6.197) 18.285 1.156 ( 1.857 18.025 15.786) 24.032 1.707 ( -0.641 5.595 -1.693) 5.881 1.800 ( 0.795 6.850 0.532) 6.916 1.835 ( 0.685 6.209 -4.334) 7.603 1.845 ( -1.696 -0.192 7.893) 8.076 2.006 ( 2.068 0.280 -0.989) 2.310 2.103 ( -2.221 8.472 1.192) 8.840 2.133 ( 7.460 12.608 3.025) 14.959 2.187 ( 0.810 7.988 2.714) 8.476 2.346 ( -1.748 7.427 10.856) 13.269 2.371 ( 3.035 4.130 -5.271) 7.352 2.574 ( -5.309 3.654 3.119) 7.160 2.686 ( 3.957 4.235 5.548) 8.023 2.804 ( 1.755 0.653 -0.393) 1.914 2.921 ( -2.676 -0.661 3.594) 4.530 3.056 ( -2.106 -0.124 2.216) 3.059 3.064 ( -2.890 2.287 -5.533) 6.648 3.116 ( 0.184 1.105 0.650) 1.295 3.177 ( -2.535 2.178 -2.898) 4.424 3.242 ( -1.062 -3.028 -4.137) 5.236 3.339 ( 0.478 -1.659 0.804) 1.905 3.405 ( -2.202 2.787 -8.650) 9.351 3.578 ( -1.662 1.695 -1.188) 2.654 3.591 ( -0.166 0.583 -0.198) 0.637 3.611 ( 1.238 -1.790 -1.711) 2.768 3.681 ( -2.560 1.121 4.669) 5.441 3.728 ( 1.382 -0.805 4.333) 4.619 3.781 ( -3.635 5.390 -2.796) 7.077 3.967 ( 3.127 0.253 3.827) 4.949 4.142 ( -1.065 5.614 -2.191) 6.120 4.198 ( 2.449 4.394 0.403) 5.047 4.379 ( -3.389 12.816 -5.634) 14.404 4.545 ( 2.639 9.578 -3.059) 10.395 4.742 ( -3.882 0.850 0.827) 4.059 4.929 ( 2.523 5.763 -0.496) 6.311 5.205 ( -0.242 -1.737 3.251) 3.694 5.299 ( 4.132 -1.476 -4.442) 6.243 5.510 ( -1.758 5.263 -4.712) 7.279 5.539 ( -0.062 -2.083 1.557) 2.601 6.223 ( 0.516 10.175 -0.801) 10.220 6.391 ( -0.442 -0.557 -4.652) 4.706 6.518 ( -1.091 -2.358 -0.995) 2.782 6.619 ( 7.204 -4.082 -2.701) 8.710 6.771 ( -3.046 -3.048 1.250) 4.487 6.845 ( -2.986 -2.942 8.212) 9.220 7.004 ( -0.545 -4.439 0.898) 4.561 7.326 ( -0.374 -1.116 -2.331) 2.612 7.384 ( 3.541 -1.481 6.891) 7.888 7.545 ( -1.816 -3.784 -2.131) 4.707 7.635 ( -0.823 7.494 -2.223) 7.860 7.791 ( 2.466 3.121 -3.642) 5.393 8.053 ( 0.587 -0.686 -5.059) 5.139 8.168 ( 1.664 4.813 -11.616) 12.683 8.290 ( -1.623 -1.494 7.028) 7.366 8.597 ( -0.149 -13.303 12.091) 17.977 9.073 ( -0.487 0.914 -3.544) 3.692 9.235 ( 0.092 -1.256 -0.540) 1.370 9.374 ( 0.436 -1.628 0.879) 1.901 9.562 ( 0.001 -4.193 -3.264) 5.314 10.254 ( -0.825 -3.996 5.930) 7.198 10.456 ( -0.022 -10.119 6.487) 12.020 11.211 ( 0.078 9.818 -4.065) 10.627 11.880 ( 0.744 -7.940 -7.666) 11.061 12.434 ( -0.134 -3.972 0.768) 4.048 12.648 ( -0.878 -8.937 7.408) 11.641 13.133 ( 0.234 5.051 -2.850) 5.804 13.455 ( 1.525 9.528 -5.659) 11.186 13.637 ( 0.824 5.722 -3.985) 7.022 13.801 ( 1.373 -12.443 -6.537) 14.122 14.015 ( 0.594 -1.257 0.038) 1.391 14.109 ( -4.228 -2.882 -0.734) 5.169 14.346 ( -2.584 1.673 1.103) 3.270 14.611 ( 3.033 1.180 -5.691) 6.556 15.186 ( -0.649 -0.327 5.712) 5.758 15.423 ( 0.365 -4.171 1.947) 4.617 16.024 ( -1.261 0.681 7.895) 8.024 16.055 ( 1.368 -3.411 16.515) 16.919 16.454 ( 0.677 4.862 0.183) 4.912 16.884 ( -0.385 -3.354 -2.198) 4.029 24.457 ( -0.036 -0.235 0.431) 0.492 24.539 ( 0.279 -0.881 -0.919) 1.303 24.664 ( -0.158 0.915 -0.194) 0.949 24.672 ( -0.011 1.412 -0.076) 1.414 25.966 ( 0.942 -0.520 1.337) 1.716 26.116 ( -1.486 -0.130 -0.162) 1.501 26.185 ( 2.040 -2.425 1.470) 3.493 26.236 ( -0.824 -0.777 3.166) 3.362 26.604 ( 0.662 -0.895 1.410) 1.797 26.792 ( -1.260 -6.024 1.288) 6.287 27.379 ( 3.086 12.311 -15.132) 19.750 27.596 ( -4.040 7.617 -8.207) 11.904 28.610 ( -0.960 3.373 4.051) 5.358 28.983 ( 0.061 -4.278 -2.330) 4.872 29.142 ( 1.832 1.219 15.377) 15.534 29.637 ( -0.319 -7.049 0.546) 7.077 ======================= Grid point 56 (27/80) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 4.032 15.356 7.811) 17.694 1.296 ( 8.790 15.162 14.627) 22.828 1.679 ( -2.692 3.345 0.443) 4.316 1.759 ( -6.562 -0.386 7.701) 10.125 1.848 ( 3.251 5.501 -2.505) 6.863 1.890 ( 2.404 2.784 -1.961) 4.169 2.029 ( -0.467 4.302 1.736) 4.663 2.107 ( 6.549 3.000 -0.882) 7.257 2.110 ( -6.323 5.540 2.857) 8.879 2.205 ( -7.673 10.981 8.030) 15.618 2.326 ( 0.412 9.099 7.770) 11.972 2.432 ( 0.984 4.301 -5.298) 6.895 2.453 ( -1.478 11.730 6.772) 13.625 2.723 ( -3.754 4.620 -0.511) 5.975 2.810 ( -1.571 -0.951 2.170) 2.843 2.911 ( 2.018 -0.090 -1.218) 2.359 3.004 ( -1.202 -5.212 -1.007) 5.443 3.017 ( -0.104 0.794 -1.549) 1.744 3.134 ( 0.508 -0.445 1.346) 1.506 3.151 ( 0.366 2.557 -4.639) 5.310 3.234 ( 2.568 -5.401 -5.753) 8.298 3.330 ( 0.823 -0.560 -2.660) 2.841 3.396 ( -2.166 2.258 -0.276) 3.141 3.485 ( -2.651 6.467 -3.557) 7.843 3.547 ( -3.704 -2.276 -2.828) 5.186 3.589 ( -2.285 2.578 1.594) 3.796 3.734 ( 5.482 3.057 3.885) 7.381 3.755 ( 0.944 8.723 -1.040) 8.835 3.828 ( 4.632 0.211 3.001) 5.523 3.988 ( -1.841 3.054 -1.571) 3.896 4.155 ( 0.374 1.938 0.422) 2.018 4.210 ( -1.190 5.029 -0.410) 5.184 4.305 ( 1.684 8.430 -0.822) 8.636 4.575 ( 0.558 9.970 -2.916) 10.402 4.716 ( 0.213 1.180 -0.930) 1.517 5.007 ( 4.122 4.137 1.115) 5.945 5.201 ( -1.212 -0.838 3.729) 4.010 5.354 ( 2.069 1.566 -6.920) 7.390 5.457 ( -2.142 3.673 -2.746) 5.062 5.540 ( 0.008 -1.665 0.345) 1.701 6.230 ( 0.191 10.509 -0.608) 10.528 6.373 ( -0.502 -0.165 -1.722) 1.801 6.511 ( 0.692 -1.837 -2.467) 3.153 6.717 ( -1.917 -4.509 -0.568) 4.933 6.794 ( 5.177 -9.690 -1.196) 11.051 6.818 ( 1.481 -2.058 8.496) 8.867 6.995 ( -0.235 -4.974 1.987) 5.361 7.313 ( -1.372 -3.210 4.889) 6.008 7.478 ( 3.712 -1.581 2.406) 4.698 7.532 ( 1.302 -2.023 -5.478) 5.983 7.643 ( 1.891 9.420 -3.410) 10.195 7.848 ( 3.711 0.831 -4.622) 5.985 8.065 ( 1.249 -0.641 -4.622) 4.830 8.170 ( 0.331 4.696 -10.964) 11.932 8.279 ( -0.392 -1.582 7.070) 7.256 8.573 ( -3.993 -12.252 10.970) 16.923 9.049 ( -0.928 1.261 -4.356) 4.629 9.233 ( -0.201 -1.477 -0.895) 1.739 9.360 ( -1.724 -1.493 0.979) 2.482 9.552 ( -0.207 -3.692 -3.838) 5.329 10.257 ( 0.076 -3.684 5.854) 6.917 10.463 ( -0.420 -9.652 6.554) 11.674 11.188 ( -1.256 10.189 -3.631) 10.889 11.881 ( 0.641 -7.932 -7.694) 11.069 12.438 ( 0.222 -3.997 1.444) 4.255 12.642 ( -0.799 -8.959 7.011) 11.404 13.140 ( 0.826 4.640 -2.784) 5.474 13.390 ( -4.316 12.247 -1.423) 13.063 13.700 ( 3.075 2.821 -6.571) 7.784 13.816 ( 0.562 -10.631 -5.992) 12.216 13.983 ( 0.403 -2.081 0.916) 2.309 14.157 ( 3.012 -5.787 -3.449) 7.379 14.324 ( 2.247 3.343 -1.709) 4.376 14.668 ( 2.848 0.216 -3.133) 4.239 15.176 ( -1.079 -0.449 5.372) 5.497 15.426 ( -0.399 -4.568 1.812) 4.930 16.006 ( -1.623 1.251 7.298) 7.580 16.098 ( -0.223 -4.902 15.721) 16.469 16.456 ( -0.562 4.660 0.479) 4.718 16.870 ( -0.357 -3.110 -2.894) 4.263 24.454 ( -0.292 -0.112 0.379) 0.492 24.536 ( -0.349 -0.607 -0.787) 1.053 24.660 ( -0.198 1.180 -0.067) 1.198 24.669 ( -0.139 0.909 -0.141) 0.930 25.998 ( 1.655 -2.191 0.938) 2.902 26.086 ( -1.585 -2.332 -0.420) 2.851 26.202 ( -0.120 -0.907 2.537) 2.697 26.260 ( 1.768 -0.719 3.660) 4.128 26.598 ( -1.304 -0.429 2.553) 2.899 26.820 ( 3.278 -7.738 -1.009) 8.464 27.388 ( -0.081 13.654 -15.812) 20.892 27.574 ( 3.465 7.831 -6.354) 10.663 28.607 ( -0.037 3.508 4.144) 5.430 28.986 ( 0.611 -4.201 -2.040) 4.710 29.177 ( -1.038 -0.124 12.988) 13.030 29.616 ( -1.531 -6.584 0.548) 6.782 ======================= Grid point 57 (28/80) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 2.745 8.878 7.498) 11.941 1.480 ( -11.170 3.655 8.543) 14.529 1.523 ( 8.443 7.563 10.811) 15.664 1.740 ( -1.003 2.085 4.497) 5.058 1.804 ( -3.710 7.458 -1.683) 8.498 1.928 ( -5.295 10.594 3.200) 12.268 1.992 ( -4.132 7.289 -1.095) 8.450 1.997 ( 0.308 1.040 1.486) 1.840 2.111 ( -0.868 -1.222 4.579) 4.818 2.198 ( -3.605 6.239 2.405) 7.596 2.330 ( 5.655 6.804 4.998) 10.162 2.384 ( -1.621 6.330 -6.234) 9.031 2.537 ( -2.271 10.833 -3.005) 11.469 2.598 ( -0.110 2.788 1.387) 3.116 2.820 ( 2.426 -4.079 1.563) 4.996 2.962 ( 0.427 -3.479 1.812) 3.946 3.025 ( 5.410 -0.514 -0.986) 5.523 3.032 ( 0.458 -0.528 -3.624) 3.690 3.150 ( 0.864 -0.816 -2.200) 2.501 3.172 ( 3.217 0.027 2.195) 3.894 3.266 ( -2.148 2.684 0.402) 3.462 3.285 ( -1.665 -3.315 -4.444) 5.789 3.362 ( -5.331 5.349 -3.185) 8.196 3.442 ( 3.563 0.862 -3.257) 4.904 3.527 ( -0.113 3.689 2.848) 4.662 3.575 ( 1.659 2.474 0.435) 3.011 3.770 ( 0.505 8.091 0.194) 8.109 3.849 ( 2.515 6.102 -0.587) 6.626 3.878 ( 2.184 5.231 4.016) 6.948 3.993 ( 2.249 6.170 0.373) 6.578 4.108 ( -1.802 3.078 -2.679) 4.461 4.219 ( -0.629 1.895 4.025) 4.493 4.366 ( 2.233 3.812 -1.028) 4.536 4.552 ( -2.290 8.431 -3.690) 9.484 4.725 ( 0.958 0.281 -1.690) 1.963 5.082 ( 2.922 0.850 1.701) 3.486 5.162 ( -3.054 -1.251 4.007) 5.191 5.360 ( -0.823 0.129 -5.697) 5.757 5.423 ( 0.159 8.851 -7.296) 11.471 5.552 ( 0.878 -3.120 3.064) 4.460 6.228 ( -0.246 10.930 -0.917) 10.971 6.368 ( 0.073 -0.577 0.207) 0.617 6.525 ( 0.804 -1.959 -3.202) 3.839 6.682 ( -1.430 -5.832 -1.619) 6.220 6.798 ( -0.513 -0.895 9.067) 9.126 6.902 ( 1.331 -9.958 -0.088) 10.047 7.027 ( 2.571 -6.824 5.185) 8.948 7.291 ( -1.594 -3.292 8.433) 9.192 7.497 ( -0.906 0.339 -2.456) 2.640 7.575 ( 2.235 -3.431 -3.365) 5.300 7.686 ( 2.641 8.827 -7.689) 12.000 7.905 ( 1.707 -1.216 -7.261) 7.557 8.080 ( 0.747 -0.728 -3.978) 4.113 8.151 ( -0.135 4.057 -10.715) 11.458 8.305 ( 1.669 -2.986 8.952) 9.584 8.488 ( -5.114 -7.289 9.068) 12.709 9.035 ( 0.515 1.667 -4.897) 5.198 9.227 ( -0.067 -1.486 -0.581) 1.597 9.323 ( -1.598 -1.264 -0.387) 2.074 9.546 ( 0.286 -3.323 -4.551) 5.643 10.271 ( 0.173 -3.187 5.987) 6.784 10.459 ( -0.988 -8.627 6.336) 10.749 11.164 ( -0.340 9.857 -3.023) 10.316 11.880 ( 0.506 -7.994 -7.877) 11.235 12.445 ( 0.123 -3.925 1.908) 4.366 12.640 ( -0.525 -8.978 7.445) 11.675 13.151 ( 0.615 4.496 -3.085) 5.487 13.323 ( -2.002 12.973 0.556) 13.139 13.722 ( 0.693 3.182 -6.042) 6.864 13.806 ( -0.176 -10.944 -6.586) 12.774 14.016 ( 0.641 -3.041 0.882) 3.230 14.171 ( 1.276 -4.435 -2.534) 5.265 14.424 ( 5.739 -0.747 -5.185) 7.770 14.700 ( 0.200 -1.790 -1.738) 2.503 15.165 ( -0.710 -0.400 4.997) 5.063 15.415 ( -0.819 -4.591 1.172) 4.808 15.984 ( -1.633 1.860 7.577) 7.971 16.098 ( -1.956 -3.348 13.281) 13.835 16.439 ( -0.942 4.952 0.095) 5.042 16.866 ( 0.447 -3.032 -3.069) 4.337 24.449 ( -0.182 -0.019 0.316) 0.366 24.527 ( -0.325 -0.489 -0.893) 1.069 24.657 ( 0.001 1.476 0.107) 1.480 24.668 ( 0.008 0.330 -0.081) 0.340 26.025 ( 0.168 -2.623 -0.021) 2.628 26.058 ( -0.247 -3.465 -0.280) 3.485 26.201 ( -0.529 0.374 2.444) 2.529 26.291 ( 0.312 -1.485 5.192) 5.409 26.578 ( -0.872 0.346 3.008) 3.151 26.878 ( 2.046 -9.817 -2.420) 10.315 27.354 ( -0.396 14.768 -12.784) 19.537 27.667 ( 5.519 4.108 -8.196) 10.700 28.619 ( 0.413 3.149 5.280) 6.161 28.997 ( 0.545 -4.145 -1.450) 4.425 29.144 ( -3.628 1.860 9.274) 10.131 29.592 ( -0.618 -6.018 0.732) 6.094 ======================= Grid point 58 (29/80) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -8.343 4.777 8.212) 12.644 1.319 ( -5.160 6.412 4.633) 9.445 1.608 ( -1.755 7.655 13.290) 15.437 1.777 ( 2.012 9.867 -0.984) 10.118 1.796 ( 7.474 2.651 5.153) 9.458 1.864 ( -2.384 3.324 -3.940) 5.679 1.929 ( 1.976 11.920 0.651) 12.100 1.992 ( -3.602 6.794 -1.976) 7.939 2.080 ( -2.281 1.851 4.817) 5.642 2.118 ( -2.940 2.899 3.696) 5.542 2.324 ( -3.175 11.611 -3.978) 12.678 2.403 ( -3.038 6.030 0.944) 6.818 2.479 ( 5.226 2.988 -1.704) 6.256 2.699 ( 3.518 0.727 0.824) 3.686 2.856 ( -0.509 -3.895 1.304) 4.138 2.969 ( 0.381 -4.948 3.504) 6.075 3.014 ( -0.787 -1.621 -0.783) 1.965 3.104 ( 0.364 0.807 -1.155) 1.455 3.164 ( -0.399 4.482 -0.892) 4.587 3.193 ( 0.151 2.558 -0.702) 2.657 3.266 ( 1.654 -3.354 -3.524) 5.139 3.295 ( 2.438 0.209 -0.794) 2.572 3.358 ( 6.499 2.788 4.104) 8.177 3.483 ( 0.953 1.533 -4.494) 4.843 3.522 ( 0.438 2.170 3.051) 3.769 3.618 ( 0.516 2.723 0.843) 2.897 3.774 ( 0.380 5.323 -1.229) 5.476 3.849 ( -1.611 6.525 0.126) 6.722 3.916 ( -1.108 7.655 4.855) 9.132 4.028 ( -0.625 2.800 -1.116) 3.078 4.108 ( 3.192 4.048 -0.041) 5.155 4.186 ( -2.623 3.478 2.228) 4.893 4.370 ( -1.139 8.042 -1.335) 8.231 4.489 ( -2.035 6.627 -5.568) 8.892 4.754 ( 2.069 0.138 -0.927) 2.271 5.082 ( -4.066 0.210 1.938) 4.509 5.150 ( 2.158 -2.944 3.828) 5.289 5.302 ( -3.327 -2.489 -5.010) 6.509 5.446 ( 2.894 10.169 -8.805) 13.759 5.573 ( 0.255 -2.575 3.930) 4.705 6.221 ( -0.208 10.854 -1.027) 10.904 6.374 ( 0.513 -0.565 0.211) 0.792 6.524 ( -0.144 -2.769 -5.032) 5.745 6.647 ( -1.980 -4.868 0.033) 5.255 6.812 ( -0.005 -0.942 8.820) 8.870 6.912 ( 0.270 -8.646 0.376) 8.658 7.062 ( -0.849 -7.493 5.925) 9.590 7.287 ( -0.140 -2.181 9.675) 9.919 7.450 ( -3.121 0.516 -5.786) 6.594 7.593 ( 0.132 -2.674 -2.030) 3.360 7.717 ( 1.901 6.103 -9.818) 11.715 7.857 ( -5.108 -0.677 -5.971) 7.887 8.077 ( -0.339 -0.918 -4.097) 4.212 8.141 ( 1.002 4.031 -11.840) 12.548 8.339 ( -1.268 -4.321 9.293) 10.327 8.458 ( 2.019 -4.933 9.645) 11.020 9.052 ( 1.667 1.570 -4.333) 4.901 9.230 ( 0.195 -1.433 0.370) 1.493 9.308 ( 0.631 -1.002 -1.771) 2.130 9.549 ( 0.788 -3.372 -4.559) 5.725 10.279 ( -0.550 -3.220 6.068) 6.891 10.449 ( -0.891 -8.373 6.177) 10.443 11.167 ( 1.084 9.725 -2.917) 10.211 11.878 ( 0.588 -8.028 -7.953) 11.316 12.447 ( -0.261 -3.921 1.586) 4.238 12.645 ( -0.345 -8.954 8.106) 12.083 13.151 ( -0.070 4.767 -3.348) 5.826 13.310 ( 0.764 12.728 0.263) 12.753 13.719 ( -0.143 4.710 -5.685) 7.384 13.794 ( 0.207 -12.272 -7.258) 14.259 13.996 ( -1.675 -3.021 0.136) 3.457 14.227 ( 3.341 -4.627 -0.490) 5.729 14.492 ( 1.236 -3.137 -4.605) 5.707 14.654 ( -4.334 -2.515 -3.189) 5.940 15.168 ( 0.135 -0.160 5.205) 5.209 15.403 ( -0.333 -3.986 0.799) 4.079 15.972 ( -0.750 2.100 9.678) 9.932 16.073 ( -2.257 -1.424 11.072) 11.389 16.427 ( -0.068 5.301 -0.374) 5.315 16.876 ( 0.873 -3.143 -2.569) 4.152 24.449 ( 0.129 -0.083 0.330) 0.364 24.522 ( 0.095 -0.504 -1.021) 1.143 24.661 ( 0.263 1.432 0.190) 1.468 24.668 ( 0.048 0.428 -0.075) 0.438 25.998 ( -1.790 -2.346 -0.547) 3.001 26.085 ( 1.991 -2.782 0.422) 3.446 26.185 ( -1.318 0.514 1.544) 2.094 26.290 ( -1.217 -1.816 5.433) 5.856 26.573 ( -0.132 0.466 2.800) 2.842 26.887 ( -0.802 -9.695 -1.930) 9.917 27.337 ( 0.733 14.309 -11.860) 18.600 27.735 ( 2.028 1.203 -9.475) 9.764 28.634 ( -0.109 2.416 6.242) 6.694 29.000 ( -0.030 -4.196 -1.284) 4.388 29.084 ( -2.942 4.712 8.732) 10.349 29.597 ( 0.946 -5.936 0.753) 6.058 ======================= Grid point 59 (30/80) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -5.295 12.114 5.810) 14.441 1.185 ( -6.884 15.120 12.062) 20.531 1.663 ( 3.308 2.129 6.039) 7.207 1.829 ( -0.753 9.060 1.857) 9.279 1.846 ( -0.028 4.138 -8.294) 9.269 1.887 ( -1.448 -1.734 0.824) 2.405 1.920 ( 4.983 14.167 6.674) 16.434 2.000 ( 0.862 5.150 -2.731) 5.893 2.101 ( 3.294 8.597 -1.554) 9.337 2.121 ( 4.997 5.561 2.334) 7.832 2.290 ( 1.873 10.510 -0.744) 10.701 2.379 ( -2.313 4.900 9.261) 10.729 2.554 ( 3.035 2.790 1.030) 4.250 2.709 ( -2.111 0.848 0.561) 2.343 2.808 ( -2.774 -0.460 0.043) 2.813 2.963 ( -1.899 -3.222 4.566) 5.902 3.036 ( 2.647 0.942 1.681) 3.275 3.101 ( -0.370 1.942 -2.393) 3.104 3.134 ( -1.423 4.100 3.735) 5.726 3.229 ( 0.013 -0.042 -3.430) 3.430 3.258 ( -0.726 -1.752 -3.965) 4.395 3.330 ( 0.709 -0.684 -0.241) 1.014 3.465 ( -0.504 -0.643 -5.403) 5.465 3.505 ( 5.604 -0.623 -0.560) 5.666 3.578 ( 2.876 1.796 1.120) 3.571 3.602 ( -1.458 0.466 0.421) 1.587 3.735 ( -3.993 2.629 2.503) 5.396 3.791 ( -4.483 2.569 3.712) 6.362 3.897 ( -2.429 2.484 -2.293) 4.163 3.944 ( -3.807 6.808 2.541) 8.203 4.152 ( -0.412 6.579 -0.730) 6.633 4.173 ( 1.027 0.505 -1.192) 1.653 4.366 ( 2.214 14.952 -1.070) 15.153 4.490 ( 2.722 8.076 -4.310) 9.550 4.792 ( 1.029 0.352 -0.985) 1.467 4.976 ( -6.354 0.858 1.747) 6.645 5.201 ( 1.539 -2.821 4.105) 5.213 5.242 ( -0.147 -2.828 -6.307) 6.913 5.495 ( 2.975 8.428 -8.346) 12.228 5.566 ( -1.679 -2.684 4.323) 5.358 6.218 ( 0.102 10.566 -0.996) 10.613 6.390 ( 1.025 -0.716 -2.290) 2.609 6.516 ( 0.646 -3.266 -4.529) 5.621 6.598 ( -2.642 -2.967 -0.410) 3.994 6.813 ( -1.408 -1.205 6.882) 7.128 6.903 ( -2.259 -8.081 1.819) 8.586 7.023 ( -2.413 -4.508 4.240) 6.642 7.316 ( 1.398 -0.624 8.570) 8.706 7.368 ( -2.846 -0.615 -6.343) 6.980 7.582 ( -0.940 -2.128 -1.001) 2.532 7.700 ( -3.834 0.627 -9.592) 10.349 7.763 ( -0.073 6.041 -0.896) 6.107 8.060 ( -0.403 -0.824 -4.853) 4.939 8.150 ( 1.773 4.241 -11.866) 12.725 8.314 ( -1.879 -1.873 7.428) 7.887 8.544 ( 3.113 -10.100 12.020) 16.006 9.075 ( 0.934 1.241 -3.758) 4.067 9.233 ( 0.103 -1.108 0.193) 1.129 9.341 ( 2.328 -1.381 -0.640) 2.782 9.560 ( 0.765 -3.844 -3.849) 5.493 10.268 ( -1.301 -3.786 5.990) 7.205 10.447 ( -0.273 -9.248 6.308) 11.197 11.195 ( 1.823 9.829 -3.425) 10.567 11.878 ( 0.697 -7.993 -7.830) 11.211 12.440 ( -0.485 -3.960 0.881) 4.085 12.650 ( -0.555 -8.955 8.131) 12.108 13.140 ( -0.363 5.056 -3.190) 5.989 13.364 ( 4.772 11.828 -1.992) 12.909 13.687 ( -2.269 5.187 -5.580) 7.949 13.791 ( 0.746 -12.640 -7.278) 14.605 13.981 ( 0.634 -1.771 0.493) 1.945 14.250 ( -3.127 -7.670 -1.174) 8.366 14.423 ( -6.339 -1.671 0.826) 6.608 14.584 ( 0.098 1.884 -7.262) 7.503 15.182 ( 0.105 -0.180 5.708) 5.712 15.408 ( 0.603 -3.717 1.424) 4.026 15.993 ( 1.059 0.501 13.053) 13.105 16.048 ( -1.839 -0.335 9.870) 10.045 16.436 ( 0.889 5.331 -0.312) 5.414 16.887 ( 0.464 -3.334 -2.068) 3.951 24.454 ( 0.231 -0.211 0.400) 0.508 24.529 ( 0.675 -0.677 -0.983) 1.371 24.665 ( 0.093 0.825 -0.055) 0.832 24.670 ( 0.127 1.372 -0.011) 1.378 25.966 ( -1.042 -0.913 0.199) 1.400 26.129 ( 1.854 -0.329 2.122) 2.838 26.156 ( -1.232 -1.394 -0.997) 2.111 26.263 ( -1.993 -1.816 4.560) 5.297 26.583 ( 0.702 0.083 2.165) 2.278 26.844 ( -2.950 -8.114 -0.103) 8.635 27.346 ( 2.153 13.154 -12.560) 18.315 27.703 ( -3.437 2.436 -10.556) 11.366 28.628 ( -1.336 2.531 5.212) 5.946 28.991 ( -0.430 -4.434 -2.172) 4.956 29.081 ( 0.921 4.874 13.243) 14.141 29.624 ( 1.257 -6.507 0.679) 6.662 ======================= Grid point 60 (31/80) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 4.891 14.126 2.336) 15.131 1.430 ( 2.093 9.264 10.091) 13.857 1.720 ( -3.257 -4.180 8.344) 9.884 1.777 ( 3.303 -3.029 3.710) 5.818 1.887 ( -2.312 3.543 -1.685) 4.554 1.962 ( 0.007 4.615 -1.474) 4.845 2.071 ( 4.606 5.378 -4.275) 8.271 2.225 ( 1.745 2.656 -0.681) 3.250 2.246 ( -4.399 5.891 -0.144) 7.354 2.393 ( -0.209 5.204 0.078) 5.209 2.459 ( 2.923 4.689 -0.081) 5.526 2.513 ( 1.973 8.354 3.940) 9.445 2.612 ( 0.626 1.151 1.062) 1.687 2.701 ( 1.631 -2.521 4.016) 5.015 2.835 ( 0.729 1.810 3.842) 4.309 2.911 ( -0.961 -0.143 1.678) 1.939 3.008 ( -3.326 -3.674 -1.197) 5.098 3.084 ( -4.540 -3.308 -5.509) 7.867 3.169 ( -1.401 3.190 -2.594) 4.343 3.223 ( -0.597 1.647 -1.230) 2.140 3.281 ( -4.284 2.205 0.746) 4.875 3.353 ( 2.092 10.848 2.042) 11.235 3.419 ( -0.411 -2.579 -1.762) 3.150 3.574 ( 1.032 1.025 -0.329) 1.491 3.587 ( -0.559 -0.910 -0.575) 1.213 3.656 ( 0.023 2.729 1.274) 3.012 3.684 ( -1.277 -0.174 4.846) 5.015 3.719 ( 2.178 1.472 1.004) 2.814 3.889 ( -1.879 2.459 1.548) 3.460 3.942 ( -3.118 -3.578 1.777) 5.068 4.177 ( -0.027 1.881 -3.653) 4.109 4.265 ( 0.029 1.186 -1.624) 2.011 4.655 ( -1.992 13.203 -4.956) 14.243 4.714 ( 1.253 6.903 -2.490) 7.444 4.893 ( 0.432 13.147 2.618) 13.412 5.040 ( 2.348 4.598 0.112) 5.164 5.172 ( 1.026 -1.347 3.207) 3.626 5.245 ( 4.556 -3.732 -1.832) 6.168 5.423 ( -1.963 -4.165 1.541) 4.855 5.610 ( -0.591 -0.624 -5.247) 5.316 6.360 ( -0.052 3.387 -1.926) 3.897 6.422 ( 0.872 2.690 -1.745) 3.323 6.494 ( -1.729 -1.259 -1.521) 2.625 6.544 ( 3.513 -2.110 -5.071) 6.519 6.705 ( -2.542 -1.626 -0.038) 3.018 6.808 ( -0.652 -2.416 4.081) 4.788 6.974 ( -1.614 2.432 7.910) 8.432 7.240 ( -0.927 -6.840 6.240) 9.305 7.340 ( 2.475 -1.610 -0.442) 2.985 7.446 ( -0.068 -5.516 -2.546) 6.076 7.787 ( 0.523 7.392 -0.680) 7.442 7.889 ( 0.691 6.378 -4.612) 7.901 8.020 ( 0.532 -2.814 -3.735) 4.707 8.174 ( 1.282 -5.168 -6.469) 8.378 8.297 ( -1.313 2.049 7.059) 7.467 8.410 ( -0.584 -5.407 7.031) 8.889 9.091 ( -0.120 1.458 -6.212) 6.382 9.223 ( 0.067 -1.070 -2.464) 2.687 9.322 ( 0.354 -2.275 -0.046) 2.303 9.464 ( 0.140 -5.814 -3.530) 6.803 10.202 ( -0.656 -1.193 5.066) 5.246 10.293 ( -0.255 -6.312 5.782) 8.564 11.402 ( 0.428 9.675 -4.911) 10.858 11.731 ( 0.787 -7.481 -7.488) 10.613 12.373 ( -0.390 -1.832 3.022) 3.555 12.483 ( -0.808 -7.423 7.026) 10.253 13.236 ( 0.201 5.767 -4.345) 7.223 13.520 ( 0.568 -7.068 -5.773) 9.144 13.677 ( 1.529 4.375 -4.300) 6.322 13.744 ( 1.006 4.145 -4.144) 5.947 13.990 ( -0.174 -1.294 0.016) 1.306 14.042 ( -1.735 -3.866 -1.123) 4.383 14.405 ( -1.145 4.395 0.783) 4.609 14.592 ( 1.904 -3.052 -3.228) 4.833 15.193 ( -0.591 1.401 3.905) 4.190 15.333 ( -0.043 -4.865 2.041) 5.276 16.029 ( -0.020 0.179 11.484) 11.486 16.038 ( -1.043 0.277 9.272) 9.335 16.562 ( 0.310 6.062 -0.429) 6.085 16.798 ( -0.191 -5.348 -1.887) 5.674 24.463 ( 0.050 0.828 0.334) 0.894 24.515 ( 0.250 -1.477 -0.412) 1.554 24.682 ( -0.080 0.832 -0.306) 0.890 24.692 ( -0.091 0.572 -0.400) 0.704 25.969 ( 0.186 0.912 0.791) 1.221 26.067 ( -1.211 -3.784 -0.782) 4.049 26.179 ( 0.895 1.169 3.471) 3.771 26.224 ( -0.021 -0.737 3.275) 3.357 26.604 ( 0.056 0.814 2.210) 2.355 26.695 ( -0.662 -3.997 2.152) 4.588 27.578 ( 2.209 8.111 -14.118) 16.432 27.697 ( -0.867 2.490 -10.486) 10.813 28.689 ( -0.506 4.666 2.710) 5.419 28.889 ( 0.012 -5.206 -0.901) 5.283 29.217 ( 0.223 5.699 9.526) 11.103 29.490 ( -0.406 -7.767 2.632) 8.210 ======================= Grid point 61 (32/80) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.609 13.418 5.914) 14.676 1.507 ( 3.643 7.072 12.107) 14.487 1.707 ( 1.340 -4.556 3.204) 5.729 1.710 ( -9.285 -2.987 8.188) 12.735 1.918 ( 5.003 4.263 -1.389) 6.718 1.972 ( 0.952 3.917 -1.156) 4.194 2.129 ( -2.963 7.781 1.707) 8.499 2.199 ( 1.757 5.544 -1.420) 5.987 2.219 ( -0.795 3.857 -0.202) 3.944 2.358 ( -1.691 4.330 -0.292) 4.658 2.412 ( -6.339 3.545 3.044) 7.875 2.571 ( 0.837 8.149 0.873) 8.239 2.613 ( -0.920 -0.001 1.959) 2.164 2.744 ( -0.106 -1.983 2.919) 3.530 2.806 ( -3.674 1.257 4.593) 6.015 2.896 ( -1.976 -2.357 2.197) 3.780 2.920 ( -0.807 -2.095 -5.551) 5.988 3.005 ( -0.182 -4.378 -5.780) 7.253 3.152 ( 0.799 -1.097 -3.001) 3.293 3.184 ( -2.335 0.406 -2.038) 3.126 3.235 ( -0.994 9.671 0.540) 9.737 3.380 ( 2.204 5.036 -3.061) 6.292 3.409 ( -1.943 -0.080 3.516) 4.018 3.517 ( -4.065 0.057 -2.649) 4.852 3.571 ( -0.217 1.446 -2.369) 2.784 3.669 ( 0.576 5.007 0.344) 5.051 3.763 ( 6.199 -0.986 2.235) 6.663 3.832 ( 7.306 2.882 1.356) 7.970 3.905 ( -0.538 -0.073 -0.616) 0.821 3.956 ( 6.158 -0.233 2.215) 6.548 4.163 ( -1.091 0.161 -1.897) 2.194 4.247 ( -1.376 -0.183 0.255) 1.412 4.606 ( -0.874 16.428 -4.287) 17.001 4.725 ( 0.051 5.824 -2.827) 6.474 4.902 ( -0.583 15.618 3.427) 16.000 5.056 ( -0.451 0.349 3.944) 3.985 5.182 ( -1.810 -1.420 2.021) 3.063 5.309 ( 2.176 -4.299 0.503) 4.845 5.439 ( 2.810 -1.437 -0.941) 3.294 5.583 ( -0.844 0.151 -6.428) 6.485 6.361 ( 0.281 2.594 -0.441) 2.646 6.427 ( -0.345 4.107 -1.491) 4.382 6.476 ( 0.465 -1.555 -3.124) 3.521 6.588 ( 0.487 -6.370 -4.804) 7.993 6.685 ( 1.415 -0.801 0.779) 1.803 6.797 ( -0.921 -2.565 4.469) 5.235 6.960 ( -0.860 2.851 8.796) 9.286 7.217 ( -2.038 -5.918 7.416) 9.704 7.416 ( 3.937 -3.762 -0.502) 5.468 7.461 ( 1.776 -4.455 -3.824) 6.134 7.811 ( 1.769 7.224 -1.796) 7.651 7.903 ( 1.446 4.900 -5.244) 7.321 8.031 ( 1.061 -2.769 -3.654) 4.706 8.170 ( -0.741 -5.406 -4.423) 7.025 8.292 ( -0.260 2.331 5.912) 6.360 8.403 ( -1.066 -4.539 5.970) 7.575 9.073 ( -0.382 1.802 -6.551) 6.806 9.216 ( -0.219 -1.323 -3.051) 3.332 9.311 ( -1.225 -2.050 0.255) 2.402 9.458 ( -0.087 -5.804 -3.571) 6.815 10.209 ( 0.425 -1.062 5.047) 5.175 10.304 ( 0.198 -6.333 5.808) 8.596 11.388 ( -0.759 10.199 -4.758) 11.280 11.732 ( 0.471 -7.627 -7.456) 10.676 12.375 ( -0.001 -1.974 3.456) 3.980 12.478 ( -0.706 -7.292 6.752) 9.963 13.237 ( 0.574 5.544 -4.340) 7.064 13.513 ( -0.202 -5.784 -5.051) 7.682 13.664 ( -0.776 5.834 -3.223) 6.710 13.811 ( 3.592 3.504 -5.322) 7.315 13.941 ( -1.416 -2.108 0.101) 2.542 14.044 ( 0.046 -5.980 -2.633) 6.534 14.409 ( 1.537 5.469 0.284) 5.687 14.631 ( 1.860 -3.951 -1.597) 4.650 15.183 ( -0.856 1.510 3.520) 3.925 15.330 ( -0.514 -5.070 1.851) 5.421 16.028 ( -1.189 0.910 8.530) 8.660 16.050 ( -0.260 -0.941 12.206) 12.245 16.560 ( -0.402 5.881 -0.327) 5.904 16.789 ( -0.244 -5.116 -2.280) 5.606 24.462 ( -0.162 0.942 0.301) 1.002 24.515 ( -0.141 -1.379 -0.387) 1.439 24.678 ( -0.193 0.753 -0.274) 0.825 24.686 ( -0.352 0.557 -0.381) 0.761 25.975 ( 0.361 -0.206 0.552) 0.691 26.032 ( -1.780 -2.798 -0.570) 3.365 26.203 ( 0.686 0.789 3.463) 3.617 26.245 ( 1.056 -0.946 3.963) 4.209 26.603 ( -0.540 0.934 2.526) 2.746 26.702 ( 0.967 -4.596 1.276) 4.867 27.594 ( 1.340 7.857 -15.105) 17.079 27.687 ( 1.876 3.348 -9.341) 10.099 28.688 ( -0.009 4.789 2.828) 5.562 28.893 ( 0.459 -5.278 -0.856) 5.366 29.229 ( -0.726 4.743 8.962) 10.166 29.478 ( -1.065 -7.302 2.596) 7.823 ======================= Grid point 62 (33/80) ======================= q-point: ( 0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -4.432 7.443 8.590) 12.199 1.467 ( -8.038 -1.362 7.826) 11.301 1.681 ( 4.552 4.554 9.683) 11.629 1.754 ( 1.093 -1.442 4.045) 4.431 1.942 ( -2.731 4.677 -0.016) 5.416 1.969 ( -2.333 0.059 1.940) 3.034 2.070 ( -3.763 6.502 0.845) 7.560 2.154 ( 0.837 6.970 2.858) 7.580 2.242 ( 0.713 10.417 3.106) 10.893 2.295 ( -4.763 3.833 2.784) 6.718 2.410 ( 4.563 4.866 -4.250) 7.910 2.546 ( -0.787 1.038 -1.845) 2.258 2.606 ( -2.881 4.022 -1.011) 5.050 2.690 ( -0.646 3.551 2.103) 4.178 2.743 ( -2.957 -3.205 2.492) 5.022 2.827 ( -2.056 -7.900 2.565) 8.557 3.002 ( 5.378 -2.035 -3.355) 6.658 3.035 ( 1.654 -0.924 -3.106) 3.639 3.135 ( -0.455 -0.385 -2.793) 2.856 3.178 ( 1.733 -2.825 -4.596) 5.666 3.256 ( 0.800 4.084 0.134) 4.164 3.340 ( -0.885 4.934 0.510) 5.039 3.416 ( -1.230 -1.153 -1.217) 2.079 3.442 ( -0.637 0.759 -2.581) 2.764 3.630 ( 3.787 3.766 -1.857) 5.654 3.682 ( 1.249 9.103 0.127) 9.189 3.846 ( 1.395 -2.232 -4.851) 5.519 3.906 ( 1.350 0.592 -1.014) 1.789 3.991 ( 6.665 6.198 4.107) 9.985 4.042 ( 0.219 2.870 1.751) 3.369 4.150 ( 0.874 -0.271 0.515) 1.050 4.223 ( -1.243 -1.453 3.855) 4.304 4.612 ( 1.486 15.855 -3.502) 16.305 4.699 ( -2.109 5.766 -2.542) 6.645 4.879 ( -1.793 16.068 3.422) 16.526 5.056 ( -0.307 -3.355 5.815) 6.721 5.128 ( -2.868 -2.979 1.113) 4.282 5.316 ( -1.881 -3.822 -1.510) 4.519 5.491 ( 1.941 -1.236 0.145) 2.305 5.573 ( 1.192 2.825 -7.145) 7.775 6.369 ( 0.417 1.813 0.734) 2.000 6.409 ( -0.994 4.113 -0.408) 4.251 6.488 ( 0.931 -0.722 -5.274) 5.404 6.577 ( -0.186 -4.579 -2.819) 5.381 6.727 ( 1.544 -4.316 1.738) 4.902 6.791 ( -0.465 -2.703 5.559) 6.199 6.973 ( 0.400 2.127 10.163) 10.391 7.194 ( -1.310 -5.853 8.316) 10.253 7.460 ( 0.247 -3.524 -2.955) 4.605 7.490 ( 1.438 -4.671 -4.052) 6.349 7.840 ( 1.227 6.490 -4.533) 8.010 7.922 ( 0.832 3.351 -5.660) 6.630 8.044 ( 0.584 -2.899 -3.358) 4.475 8.143 ( -0.776 -5.104 -4.414) 6.792 8.302 ( 0.142 2.027 6.867) 7.162 8.389 ( -0.980 -2.494 4.348) 5.108 9.062 ( 0.616 1.862 -6.626) 6.910 9.207 ( 0.038 -1.769 -3.537) 3.956 9.285 ( -1.008 -1.003 0.192) 1.434 9.452 ( 0.187 -5.975 -3.667) 7.012 10.227 ( 0.345 -1.031 5.283) 5.394 10.314 ( -0.292 -5.856 5.704) 8.180 11.366 ( -0.340 10.583 -4.546) 11.523 11.727 ( 0.348 -7.930 -7.637) 11.015 12.382 ( -0.001 -2.073 3.793) 4.323 12.478 ( -0.453 -7.136 7.067) 10.054 13.243 ( 0.655 5.266 -4.315) 6.840 13.500 ( -0.238 -2.728 -3.946) 4.803 13.646 ( -0.477 5.246 -3.646) 6.407 13.825 ( -0.046 4.268 -4.588) 6.266 13.957 ( 0.412 -3.026 -0.675) 3.128 14.039 ( 1.521 -8.719 -4.486) 9.923 14.454 ( 2.147 3.763 0.587) 4.372 14.646 ( -0.413 -3.997 -0.752) 4.088 15.175 ( -0.355 1.704 3.271) 3.706 15.322 ( -0.497 -4.892 1.531) 5.150 16.017 ( -1.232 1.460 8.673) 8.881 16.058 ( -0.864 -1.164 11.388) 11.480 16.549 ( -0.494 6.179 -0.511) 6.220 16.785 ( 0.272 -5.172 -2.353) 5.688 24.459 ( -0.178 0.986 0.175) 1.018 24.510 ( -0.268 -1.213 -0.586) 1.374 24.675 ( 0.041 0.550 -0.134) 0.568 24.680 ( -0.129 0.607 -0.210) 0.655 25.985 ( 0.043 -1.285 -0.131) 1.292 26.004 ( -0.252 -2.080 -0.033) 2.096 26.215 ( -0.211 1.026 3.386) 3.544 26.264 ( -0.059 -1.342 4.771) 4.956 26.596 ( -0.435 1.495 2.651) 3.074 26.725 ( 0.821 -5.945 0.616) 6.033 27.585 ( 0.439 9.075 -14.242) 16.893 27.727 ( 2.906 1.458 -9.912) 10.432 28.696 ( 0.172 4.637 3.326) 5.709 28.902 ( 0.385 -5.420 -0.695) 5.478 29.217 ( -1.671 5.204 7.667) 9.415 29.464 ( -0.529 -6.897 2.694) 7.424 ======================= Grid point 63 (34/80) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -4.317 6.263 6.601) 10.071 1.388 ( -1.044 0.063 5.210) 5.314 1.717 ( -2.045 3.159 10.189) 10.862 1.795 ( 1.923 -1.895 6.542) 7.077 1.881 ( -2.770 0.980 -1.651) 3.371 1.944 ( 2.102 2.423 0.828) 3.313 2.045 ( -1.664 6.122 -1.089) 6.437 2.113 ( -1.800 8.705 0.701) 8.917 2.239 ( 0.340 7.346 3.234) 8.034 2.320 ( 2.244 14.137 4.211) 14.920 2.425 ( -1.487 3.368 -4.918) 6.143 2.527 ( -1.606 7.431 0.605) 7.627 2.570 ( 2.444 -1.604 -0.757) 3.020 2.684 ( -1.476 -0.611 -1.014) 1.892 2.758 ( 2.375 -5.837 2.827) 6.906 2.839 ( 2.394 -6.512 3.095) 7.597 3.027 ( -0.382 1.990 -0.839) 2.193 3.095 ( 3.344 -0.957 0.904) 3.593 3.175 ( 3.363 -2.272 -2.873) 4.972 3.198 ( 0.313 -3.783 -4.240) 5.691 3.238 ( 1.641 2.334 -2.293) 3.661 3.350 ( -2.585 3.660 -2.402) 5.084 3.404 ( 2.100 1.794 2.199) 3.530 3.465 ( 1.817 -1.607 -1.666) 2.943 3.653 ( -0.112 5.969 -1.952) 6.281 3.708 ( -0.549 7.798 1.769) 8.015 3.850 ( 0.076 1.949 -4.637) 5.030 3.911 ( -1.672 0.756 -1.653) 2.470 3.992 ( -4.014 1.377 2.447) 4.899 4.107 ( 1.584 4.986 4.855) 7.137 4.136 ( -1.698 -1.151 1.798) 2.728 4.229 ( 1.413 0.577 1.333) 2.026 4.633 ( 0.871 11.740 -2.889) 12.122 4.658 ( -0.186 10.687 -2.684) 11.020 4.864 ( 0.165 13.185 2.875) 13.496 5.036 ( -2.860 -4.796 5.453) 7.805 5.107 ( 1.025 -2.247 0.193) 2.477 5.247 ( -3.670 -3.366 -3.058) 5.844 5.508 ( -0.406 -1.598 -0.630) 1.765 5.598 ( 1.899 2.393 -5.149) 5.987 6.378 ( 0.261 2.354 -0.656) 2.457 6.392 ( -0.354 3.020 0.687) 3.117 6.491 ( 0.493 0.950 -6.272) 6.362 6.569 ( -0.634 -3.363 -0.699) 3.493 6.749 ( 0.467 -5.053 1.809) 5.387 6.796 ( -0.030 -2.663 5.893) 6.466 6.995 ( -0.267 1.284 10.446) 10.528 7.196 ( 0.203 -6.003 8.326) 10.267 7.423 ( -2.917 -2.407 -4.834) 6.138 7.495 ( -0.357 -5.804 -3.982) 7.047 7.838 ( -0.759 5.711 -5.264) 7.804 7.907 ( -1.050 4.894 -4.465) 6.708 8.040 ( -0.365 -2.928 -3.269) 4.404 8.135 ( 0.881 -4.901 -6.884) 8.496 8.315 ( -0.325 1.398 8.374) 8.496 8.386 ( 0.061 -2.068 4.639) 5.080 9.076 ( 1.531 1.524 -6.261) 6.623 9.209 ( 0.703 -1.907 -3.185) 3.778 9.278 ( 0.414 -0.367 -0.268) 0.615 9.454 ( 0.625 -6.068 -3.729) 7.149 10.233 ( -0.788 -1.192 5.448) 5.632 10.310 ( -0.996 -5.536 5.616) 7.949 11.366 ( 1.016 10.401 -4.554) 11.400 11.723 ( 0.629 -7.982 -7.781) 11.165 12.385 ( -0.370 -2.007 3.589) 4.129 12.482 ( -0.369 -7.165 7.539) 10.407 13.246 ( 0.295 5.292 -4.281) 6.813 13.496 ( 0.519 -1.414 -3.848) 4.132 13.632 ( -0.120 3.707 -4.362) 5.725 13.822 ( 0.018 5.000 -5.301) 7.287 13.932 ( -1.105 -3.736 -0.831) 3.984 14.087 ( 2.432 -8.860 -3.129) 9.706 14.476 ( -0.465 1.953 1.340) 2.414 14.614 ( -2.053 -2.740 -1.872) 3.902 15.181 ( 0.258 1.696 3.572) 3.963 15.319 ( 0.019 -4.527 1.497) 4.768 16.009 ( -0.930 1.721 9.421) 9.622 16.054 ( -1.203 -0.756 10.241) 10.339 16.544 ( 0.165 6.523 -0.698) 6.563 16.792 ( 0.630 -5.411 -2.034) 5.814 24.457 ( 0.021 0.899 0.134) 0.909 24.505 ( 0.008 -1.169 -0.717) 1.371 24.677 ( 0.142 0.580 -0.093) 0.604 24.683 ( 0.378 0.592 -0.119) 0.712 25.972 ( -0.627 -0.341 -0.189) 0.739 26.027 ( 1.780 -2.823 0.197) 3.343 26.204 ( -1.312 1.261 2.955) 3.470 26.258 ( -1.232 -1.496 4.773) 5.151 26.594 ( -0.178 1.686 2.581) 3.088 26.731 ( -0.390 -6.176 0.870) 6.249 27.571 ( 0.510 9.656 -13.582) 16.673 27.754 ( 1.137 -0.170 -10.556) 10.619 28.702 ( -0.230 4.353 3.553) 5.624 28.903 ( -0.162 -5.448 -0.660) 5.491 29.197 ( -1.237 6.518 7.459) 9.982 29.468 ( 0.417 -7.100 2.730) 7.619 ======================= Grid point 64 (35/80) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 1.120 11.201 2.389) 11.508 1.393 ( 0.176 4.836 7.201) 8.676 1.716 ( 0.777 1.652 8.537) 8.730 1.781 ( -3.275 -4.390 7.153) 9.009 1.887 ( 2.124 1.880 -5.121) 5.854 1.979 ( -1.637 1.750 1.037) 2.610 2.008 ( 2.589 5.736 -2.708) 6.851 2.138 ( 3.777 4.566 -1.885) 6.218 2.316 ( 4.716 12.235 0.402) 13.119 2.352 ( 0.656 12.046 1.274) 12.131 2.386 ( -0.451 1.879 -2.536) 3.189 2.505 ( -1.082 6.323 4.710) 7.959 2.615 ( 0.461 -3.272 -0.381) 3.326 2.671 ( 0.496 -0.150 3.703) 3.739 2.795 ( 1.644 -1.122 1.602) 2.555 2.894 ( 2.051 -2.973 2.206) 4.232 3.032 ( 0.459 -1.079 0.706) 1.369 3.149 ( 1.140 3.060 -2.296) 3.992 3.170 ( -1.130 -4.137 0.021) 4.289 3.233 ( 0.798 0.071 -2.647) 2.766 3.298 ( 3.056 -0.105 -0.273) 3.070 3.323 ( 0.193 7.976 0.470) 7.992 3.424 ( 0.406 -2.625 -1.327) 2.969 3.500 ( 2.849 -1.182 -1.672) 3.509 3.623 ( -2.683 3.825 0.350) 4.685 3.685 ( -0.936 6.828 -1.535) 7.061 3.767 ( -7.318 1.311 2.146) 7.738 3.810 ( -7.731 -0.083 2.037) 7.995 3.940 ( -1.720 1.142 1.414) 2.502 4.026 ( -5.239 -0.727 4.405) 6.884 4.174 ( 1.328 2.247 -2.107) 3.355 4.255 ( 0.957 2.451 -1.203) 2.893 4.668 ( 0.878 13.447 -3.235) 13.858 4.673 ( 3.215 8.815 -2.615) 9.741 4.887 ( 0.707 10.457 1.890) 10.650 4.996 ( -0.274 -0.163 2.239) 2.261 5.145 ( 2.313 -2.833 0.746) 3.733 5.191 ( -0.712 -2.268 -2.136) 3.196 5.476 ( -2.464 -2.939 0.104) 3.837 5.618 ( 0.674 0.517 -4.601) 4.679 6.369 ( -0.429 3.578 -2.505) 4.389 6.404 ( 0.901 1.896 0.638) 2.194 6.499 ( 1.505 1.733 -5.584) 6.038 6.540 ( -2.024 -2.732 -1.144) 3.588 6.747 ( -1.158 -4.102 1.015) 4.381 6.806 ( 0.047 -2.590 4.820) 5.472 6.993 ( -1.447 1.938 9.232) 9.544 7.223 ( 0.932 -6.944 7.590) 10.330 7.350 ( -2.664 -0.901 -4.179) 5.037 7.469 ( -1.335 -6.448 -3.084) 7.271 7.800 ( -1.554 6.562 -2.291) 7.121 7.889 ( 0.051 6.672 -4.448) 8.019 8.025 ( -0.381 -2.933 -3.557) 4.626 8.151 ( 1.767 -4.802 -7.513) 9.090 8.313 ( -1.172 1.559 7.748) 7.990 8.402 ( 0.241 -4.129 6.636) 7.820 9.093 ( 0.938 1.297 -6.066) 6.274 9.220 ( 0.597 -1.384 -2.337) 2.781 9.300 ( 1.498 -1.263 -0.558) 2.037 9.462 ( 0.612 -5.980 -3.643) 7.029 10.216 ( -1.453 -1.286 5.296) 5.640 10.297 ( -0.984 -5.841 5.685) 8.210 11.387 ( 1.571 9.869 -4.761) 11.070 11.726 ( 0.864 -7.712 -7.696) 10.930 12.379 ( -0.620 -1.858 3.113) 3.678 12.485 ( -0.588 -7.351 7.527) 10.538 13.241 ( 0.030 5.608 -4.296) 7.064 13.508 ( 1.272 -3.989 -4.930) 6.468 13.637 ( 1.576 3.882 -4.362) 6.048 13.785 ( -2.431 3.724 -5.502) 7.075 13.948 ( 2.355 -1.299 0.042) 2.690 14.097 ( -1.405 -7.467 -1.544) 7.753 14.442 ( -2.452 2.863 1.714) 4.141 14.581 ( -0.400 -2.078 -3.647) 4.216 15.192 ( 0.060 1.493 3.965) 4.237 15.326 ( 0.323 -4.524 1.837) 4.893 16.013 ( -0.328 1.270 10.697) 10.777 16.045 ( -1.176 -0.195 9.381) 9.457 16.552 ( 0.634 6.459 -0.642) 6.522 16.800 ( 0.374 -5.518 -1.754) 5.802 24.460 ( 0.173 0.803 0.234) 0.854 24.509 ( 0.372 -1.317 -0.601) 1.495 24.681 ( 0.181 0.761 -0.184) 0.804 24.690 ( 0.295 0.571 -0.253) 0.691 25.966 ( -0.005 0.845 0.331) 0.907 26.064 ( 1.497 -3.958 -0.085) 4.232 26.178 ( -1.343 1.746 2.688) 3.475 26.235 ( -1.452 -1.266 4.049) 4.483 26.598 ( 0.092 1.397 2.395) 2.774 26.714 ( -1.277 -5.169 1.709) 5.592 27.565 ( 1.222 9.208 -13.447) 16.343 27.737 ( -0.857 0.277 -10.987) 11.024 28.697 ( -0.694 4.376 3.133) 5.427 28.895 ( -0.376 -5.297 -0.791) 5.369 29.197 ( -0.029 6.815 8.647) 11.010 29.484 ( 0.496 -7.621 2.699) 8.100 ======================= Grid point 65 (36/80) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 5.796 -7.396 1.177) 9.470 1.456 ( 5.796 7.396 1.177) 9.470 1.692 ( -3.896 -3.530 11.411) 12.564 1.692 ( -3.896 3.530 11.411) 12.564 1.965 ( 1.293 -3.064 -2.795) 4.344 1.965 ( 1.293 3.064 -2.795) 4.344 2.201 ( 3.135 -5.393 -1.826) 6.499 2.201 ( 3.135 5.393 -1.826) 6.499 2.368 ( -3.018 -5.736 0.015) 6.481 2.368 ( -3.018 5.736 0.015) 6.481 2.538 ( 1.784 -4.174 -1.870) 4.910 2.538 ( 1.784 4.174 -1.870) 4.910 2.674 ( 1.429 -3.234 4.363) 5.616 2.674 ( 1.429 3.234 4.363) 5.616 2.868 ( 0.064 -3.351 3.756) 5.034 2.868 ( 0.064 3.351 3.756) 5.034 3.005 ( -4.367 -3.300 -4.689) 7.207 3.005 ( -4.367 3.300 -4.689) 7.207 3.224 ( -1.825 -1.628 -2.747) 3.678 3.224 ( -1.825 1.628 -2.747) 3.678 3.338 ( -0.262 -4.771 -0.117) 4.780 3.338 ( -0.262 4.771 -0.117) 4.780 3.536 ( 4.630 -4.479 3.214) 7.199 3.536 ( 4.630 4.479 3.214) 7.199 3.647 ( -4.409 -3.473 1.285) 5.757 3.647 ( -4.409 3.473 1.285) 5.757 3.720 ( 1.024 -4.780 0.622) 4.928 3.720 ( 1.024 4.780 0.622) 4.928 3.881 ( -2.713 -2.227 2.860) 4.528 3.881 ( -2.713 2.227 2.860) 4.528 4.243 ( -0.661 -3.205 -3.159) 4.548 4.243 ( -0.661 3.205 -3.159) 4.548 4.803 ( 0.308 -0.216 -3.500) 3.520 4.803 ( 0.308 0.216 -3.500) 3.520 5.052 ( 0.958 -3.346 1.896) 3.964 5.052 ( 0.958 3.346 1.896) 3.964 5.188 ( 3.711 -1.757 0.450) 4.131 5.188 ( 3.711 1.757 0.450) 4.131 5.481 ( -1.518 -9.746 -0.803) 9.896 5.481 ( -1.518 9.746 -0.803) 9.896 6.417 ( 0.037 -3.038 -1.574) 3.421 6.417 ( 0.037 3.038 -1.574) 3.421 6.497 ( 0.106 -3.348 -3.795) 5.062 6.497 ( 0.106 3.348 -3.795) 5.062 6.744 ( -0.777 -3.802 0.366) 3.897 6.744 ( -0.777 3.802 0.366) 3.897 7.088 ( -0.876 -8.072 9.940) 12.835 7.088 ( -0.876 8.072 9.940) 12.835 7.355 ( 0.910 -3.255 -2.680) 4.314 7.355 ( 0.910 3.255 -2.680) 4.314 7.929 ( 0.670 -6.475 -4.638) 7.992 7.929 ( 0.670 6.475 -4.638) 7.992 8.024 ( 0.322 -7.538 -1.055) 7.618 8.024 ( 0.322 7.538 -1.055) 7.618 8.348 ( -0.632 -2.632 5.355) 6.000 8.348 ( -0.632 2.632 5.355) 6.000 9.151 ( 0.174 -4.662 -5.416) 7.148 9.151 ( 0.174 4.662 -5.416) 7.148 9.355 ( 0.131 -4.738 -1.768) 5.059 9.355 ( 0.131 4.738 -1.768) 5.059 10.212 ( -0.479 -2.270 5.151) 5.649 10.212 ( -0.479 2.270 5.151) 5.649 11.579 ( 0.699 -8.465 -6.411) 10.642 11.579 ( 0.699 8.465 -6.411) 10.642 12.380 ( -0.630 -2.829 5.278) 6.021 12.380 ( -0.630 2.829 5.278) 6.021 13.363 ( 0.309 -7.474 -5.312) 9.175 13.363 ( 0.309 7.474 -5.312) 9.175 13.768 ( 1.306 -2.365 -4.138) 4.942 13.768 ( 1.306 2.365 -4.138) 4.942 13.983 ( -0.867 -1.349 -0.516) 1.685 13.983 ( -0.867 1.349 -0.516) 1.685 14.505 ( 0.450 -5.403 -0.583) 5.453 14.505 ( 0.450 5.403 -0.583) 5.453 15.245 ( -0.355 -3.877 2.551) 4.654 15.245 ( -0.355 3.877 2.551) 4.654 16.037 ( -0.647 -0.364 9.867) 9.895 16.037 ( -0.647 0.364 9.867) 9.895 16.683 ( 0.038 -6.313 -1.229) 6.432 16.683 ( 0.038 6.313 -1.229) 6.432 24.486 ( 0.158 -1.443 0.013) 1.451 24.486 ( 0.158 1.443 0.013) 1.451 24.694 ( -0.082 -0.330 -0.429) 0.547 24.694 ( -0.082 0.330 -0.429) 0.547 26.003 ( -0.413 -2.572 0.210) 2.613 26.003 ( -0.413 2.572 0.210) 2.613 26.204 ( 0.241 -1.232 3.325) 3.554 26.204 ( 0.241 1.232 3.325) 3.554 26.634 ( -0.300 -2.294 2.429) 3.354 26.634 ( -0.300 2.294 2.429) 3.354 27.689 ( 0.947 -3.214 -12.639) 13.075 27.689 ( 0.947 3.214 -12.639) 13.075 28.786 ( -0.193 -5.295 0.959) 5.384 28.786 ( -0.193 5.295 0.959) 5.384 29.344 ( -0.302 -7.185 5.563) 9.092 29.344 ( -0.302 7.185 5.563) 9.092 ======================= Grid point 67 (37/80) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -3.432 -10.274 6.228) 12.495 1.552 ( -3.432 10.274 6.228) 12.495 1.621 ( 1.344 -4.900 7.844) 9.346 1.621 ( 1.344 4.900 7.844) 9.346 1.994 ( 1.728 -1.969 -0.345) 2.643 1.994 ( 1.728 1.969 -0.345) 2.643 2.228 ( -1.764 -2.356 0.557) 2.996 2.228 ( -1.764 2.356 0.557) 2.996 2.353 ( 3.102 -6.374 -1.368) 7.219 2.353 ( 3.102 6.374 -1.368) 7.219 2.494 ( -6.168 -5.693 -0.267) 8.398 2.494 ( -6.168 5.693 -0.267) 8.398 2.717 ( 0.905 -2.736 4.661) 5.480 2.717 ( 0.905 2.736 4.661) 5.480 2.831 ( -3.927 -3.101 3.029) 5.849 2.831 ( -3.927 3.101 3.029) 5.849 2.922 ( 0.013 -1.951 -6.672) 6.952 2.922 ( 0.013 1.951 -6.672) 6.952 3.168 ( -2.193 -1.532 -2.722) 3.817 3.168 ( -2.193 1.532 -2.722) 3.817 3.366 ( 1.617 -3.297 1.217) 3.868 3.366 ( 1.617 3.297 1.217) 3.868 3.492 ( -6.155 -3.525 -0.426) 7.106 3.492 ( -6.155 3.525 -0.426) 7.106 3.657 ( 4.004 -7.020 -2.763) 8.541 3.657 ( 4.004 7.020 -2.763) 8.541 3.790 ( 3.018 -5.608 0.524) 6.389 3.790 ( 3.018 5.608 0.524) 6.389 3.930 ( 7.090 -4.425 3.612) 9.105 3.930 ( 7.090 4.425 3.612) 9.105 4.211 ( -1.910 -3.368 -1.783) 4.263 4.211 ( -1.910 3.368 -1.783) 4.263 4.802 ( 0.100 -1.308 -3.505) 3.743 4.802 ( 0.100 1.308 -3.505) 3.743 5.044 ( -1.485 -2.306 4.157) 4.980 5.044 ( -1.485 2.306 4.157) 4.980 5.237 ( -0.234 -5.634 1.523) 5.841 5.237 ( -0.234 5.634 1.523) 5.841 5.483 ( 2.001 -7.024 -2.437) 7.699 5.483 ( 2.001 7.024 -2.437) 7.699 6.411 ( -0.378 -2.922 -0.807) 3.055 6.411 ( -0.378 2.922 -0.807) 3.055 6.501 ( 0.812 -3.391 -4.369) 5.590 6.501 ( 0.812 3.391 -4.369) 5.590 6.729 ( -0.529 -3.824 1.222) 4.049 6.729 ( -0.529 3.824 1.222) 4.049 7.081 ( -1.343 -7.892 10.250) 13.006 7.081 ( -1.343 7.892 10.250) 13.006 7.391 ( 2.556 -1.831 -2.941) 4.306 7.391 ( 2.556 1.831 -2.941) 4.306 7.944 ( 1.428 -5.797 -5.100) 7.852 7.944 ( 1.428 5.797 -5.100) 7.852 8.023 ( -0.286 -6.792 -0.861) 6.852 8.023 ( -0.286 6.792 -0.861) 6.852 8.348 ( -0.213 -2.770 4.808) 5.553 8.348 ( -0.213 2.770 4.808) 5.553 9.139 ( -0.268 -4.927 -5.827) 7.635 9.139 ( -0.268 4.927 -5.827) 7.635 9.348 ( -0.474 -4.845 -1.589) 5.121 9.348 ( -0.474 4.845 -1.589) 5.121 10.221 ( 0.412 -2.363 5.156) 5.686 10.221 ( 0.412 2.363 5.156) 5.686 11.574 ( -0.044 -8.843 -6.346) 10.884 11.574 ( -0.044 8.843 -6.346) 10.885 12.379 ( -0.364 -2.657 5.334) 5.970 12.379 ( -0.364 2.657 5.334) 5.970 13.361 ( 0.421 -7.425 -5.261) 9.109 13.361 ( 0.421 7.425 -5.261) 9.109 13.806 ( 2.763 -5.357 -3.883) 7.170 13.806 ( 2.763 5.357 -3.883) 7.170 13.943 ( -2.590 -3.446 -1.309) 4.505 13.943 ( -2.590 3.446 -1.309) 4.505 14.527 ( 1.449 -6.269 0.092) 6.435 14.527 ( 1.449 6.269 0.092) 6.435 15.239 ( -0.594 -4.065 2.272) 4.695 15.239 ( -0.594 4.065 2.272) 4.695 16.040 ( -0.724 -0.397 9.948) 9.982 16.040 ( -0.724 0.397 9.948) 9.982 16.678 ( -0.270 -6.127 -1.354) 6.281 16.678 ( -0.270 6.127 -1.354) 6.281 24.487 ( -0.085 -1.482 0.006) 1.484 24.487 ( -0.085 1.482 0.006) 1.484 24.688 ( -0.302 -0.279 -0.408) 0.579 24.688 ( -0.302 0.279 -0.408) 0.579 25.988 ( -0.803 -1.519 0.037) 1.719 25.988 ( -0.803 1.519 0.037) 1.719 26.224 ( 0.774 -1.167 3.750) 4.003 26.224 ( 0.774 1.167 3.750) 4.003 26.635 ( -0.014 -2.465 2.238) 3.329 26.635 ( -0.014 2.465 2.238) 3.329 27.695 ( 1.634 -2.515 -12.672) 13.022 27.695 ( 1.634 2.515 -12.672) 13.022 28.788 ( 0.183 -5.417 1.018) 5.515 28.788 ( 0.183 5.417 1.018) 5.515 29.342 ( -0.815 -6.611 5.447) 8.604 29.342 ( -0.815 6.611 5.447) 8.604 ======================= Grid point 69 (38/80) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -7.712 -5.301 8.562) 12.684 1.406 ( -7.712 5.301 8.562) 12.684 1.721 ( 3.661 -1.163 6.310) 7.387 1.721 ( 3.661 1.163 6.310) 7.387 1.978 ( -4.080 -0.071 2.159) 4.617 1.978 ( -4.080 0.071 2.159) 4.617 2.189 ( -0.863 -4.657 -0.370) 4.751 2.189 ( -0.863 4.657 -0.370) 4.751 2.397 ( -1.158 -10.034 0.657) 10.122 2.397 ( -1.158 10.034 0.657) 10.122 2.450 ( 4.733 -5.116 -0.088) 6.970 2.450 ( 4.733 5.116 -0.088) 6.970 2.683 ( -4.117 -2.321 4.671) 6.644 2.683 ( -4.117 2.321 4.671) 6.644 2.744 ( -3.585 -2.396 -0.646) 4.360 2.744 ( -3.585 2.396 -0.646) 4.360 2.988 ( 5.091 -1.678 -3.393) 6.344 2.988 ( 5.091 1.678 -3.393) 6.344 3.143 ( -0.043 -1.031 -3.502) 3.651 3.143 ( -0.043 1.031 -3.502) 3.651 3.343 ( -2.596 -4.193 -2.665) 5.605 3.343 ( -2.596 4.193 -2.665) 5.605 3.433 ( 0.055 -2.128 1.307) 2.498 3.433 ( 0.055 2.128 1.307) 2.498 3.738 ( 3.547 -6.248 -4.361) 8.404 3.738 ( 3.547 6.248 -4.361) 8.404 3.840 ( 2.598 -5.732 -2.856) 6.911 3.840 ( 2.598 5.732 -2.856) 6.911 4.087 ( 5.902 -3.741 4.322) 8.216 4.087 ( 5.902 3.741 4.322) 8.216 4.162 ( -2.785 -4.668 1.922) 5.765 4.162 ( -2.785 4.668 1.922) 5.765 4.788 ( -1.007 -0.895 -2.246) 2.619 4.788 ( -1.007 0.895 -2.246) 2.619 5.027 ( -0.745 -3.476 3.484) 4.978 5.027 ( -0.745 3.476 3.484) 4.978 5.193 ( -3.365 -10.586 1.063) 11.159 5.193 ( -3.365 10.586 1.063) 11.159 5.527 ( 2.035 -4.773 -2.404) 5.718 5.527 ( 2.035 4.773 -2.404) 5.718 6.403 ( -0.155 -1.915 -0.348) 1.952 6.403 ( -0.155 1.915 -0.348) 1.952 6.513 ( 0.918 -2.247 -3.780) 4.492 6.513 ( 0.918 2.247 -3.780) 4.492 6.729 ( 0.075 -3.065 2.893) 4.215 6.729 ( 0.075 3.065 2.893) 4.215 7.073 ( -0.943 -6.579 10.308) 12.265 7.073 ( -0.943 6.579 10.308) 12.265 7.425 ( 0.881 -1.093 -3.841) 4.090 7.425 ( 0.881 1.093 -3.841) 4.090 7.962 ( 0.981 -5.778 -5.869) 8.294 7.962 ( 0.981 5.778 -5.869) 8.294 8.013 ( -0.327 -5.684 -1.313) 5.843 8.013 ( -0.327 5.684 -1.313) 5.843 8.352 ( -0.184 -2.337 4.621) 5.181 8.352 ( -0.184 2.337 4.621) 5.181 9.128 ( 0.298 -4.791 -6.124) 7.781 9.128 ( 0.298 4.791 -6.124) 7.781 9.336 ( -0.224 -5.223 -1.449) 5.425 9.336 ( -0.224 5.223 -1.449) 5.425 10.237 ( 0.146 -2.131 5.257) 5.675 10.237 ( 0.146 2.131 5.257) 5.675 11.562 ( 0.000 -9.317 -6.438) 11.325 11.562 ( 0.000 9.317 -6.438) 11.325 12.382 ( -0.223 -2.437 5.621) 6.130 12.382 ( -0.223 2.437 5.621) 6.130 13.362 ( 0.535 -7.190 -5.148) 8.859 13.362 ( 0.535 7.190 -5.148) 8.859 13.846 ( 0.507 -10.904 -3.592) 11.492 13.846 ( 0.507 10.904 -3.592) 11.492 13.898 ( -0.217 -3.246 -2.490) 4.097 13.898 ( -0.217 3.246 -2.490) 4.097 14.550 ( 0.432 -5.532 0.782) 5.603 14.550 ( 0.432 5.532 0.782) 5.603 15.233 ( -0.282 -4.031 2.093) 4.551 15.233 ( -0.282 4.031 2.093) 4.551 16.040 ( -0.896 -0.933 9.791) 9.876 16.040 ( -0.896 0.933 9.791) 9.876 16.672 ( -0.057 -6.325 -1.436) 6.486 16.672 ( -0.057 6.325 -1.436) 6.486 24.483 ( -0.201 -1.431 -0.176) 1.456 24.483 ( -0.201 1.431 -0.176) 1.456 24.683 ( -0.061 -0.181 -0.247) 0.312 24.683 ( -0.061 0.181 -0.247) 0.312 25.978 ( -0.125 -0.529 -0.007) 0.544 25.978 ( -0.125 0.529 -0.007) 0.544 26.238 ( -0.153 -1.300 4.050) 4.257 26.238 ( -0.153 1.300 4.050) 4.257 26.639 ( 0.038 -3.116 2.069) 3.740 26.639 ( 0.038 3.116 2.069) 3.740 27.708 ( 1.481 -3.614 -12.691) 13.279 27.708 ( 1.481 3.614 -12.691) 13.279 28.795 ( 0.193 -5.449 1.221) 5.587 28.795 ( 0.193 5.449 1.221) 5.587 29.333 ( -0.812 -6.539 5.163) 8.371 29.333 ( -0.812 6.539 5.163) 8.371 ======================= Grid point 71 (39/80) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -1.466 -6.197 5.701) 8.547 1.320 ( -1.466 6.197 5.701) 8.547 1.755 ( -1.205 -1.732 7.543) 7.832 1.755 ( -1.205 1.732 7.543) 7.832 1.922 ( -0.429 -2.430 1.072) 2.691 1.922 ( -0.429 2.430 1.072) 2.691 2.167 ( -1.392 -4.265 -2.155) 4.977 2.167 ( -1.392 4.265 -2.155) 4.978 2.410 ( 1.716 -11.143 1.488) 11.373 2.410 ( 1.716 11.143 1.488) 11.373 2.521 ( 0.468 -7.885 0.298) 7.904 2.521 ( 0.468 7.885 0.298) 7.904 2.604 ( -1.802 -9.788 2.992) 10.393 2.604 ( -1.802 9.788 2.992) 10.393 2.737 ( 2.608 -5.555 0.836) 6.194 2.737 ( 2.608 5.555 0.836) 6.194 3.073 ( 2.636 -2.076 -0.037) 3.356 3.073 ( 2.636 2.076 -0.037) 3.356 3.144 ( 1.409 -0.886 -2.819) 3.274 3.144 ( 1.409 0.886 -2.819) 3.274 3.320 ( 0.766 -4.687 -3.982) 6.197 3.320 ( 0.766 4.687 -3.982) 6.197 3.439 ( 0.193 -1.667 0.188) 1.689 3.439 ( 0.193 1.667 0.188) 1.689 3.763 ( -0.455 -4.007 -2.981) 5.015 3.763 ( -0.455 4.007 -2.981) 5.015 3.882 ( 0.925 -2.984 -3.483) 4.679 3.882 ( 0.925 2.984 -3.483) 4.679 4.065 ( -6.083 -5.260 5.429) 9.703 4.065 ( -6.083 5.260 5.429) 9.703 4.197 ( 3.280 -3.637 2.114) 5.334 4.197 ( 3.280 3.637 2.114) 5.334 4.771 ( 0.231 -3.240 -1.291) 3.495 4.771 ( 0.231 3.240 -1.291) 3.495 5.011 ( -1.349 -4.474 1.649) 4.955 5.011 ( -1.349 4.474 1.649) 4.955 5.140 ( -1.325 -9.204 0.002) 9.299 5.140 ( -1.325 9.204 0.002) 9.299 5.545 ( 0.030 -5.204 -1.743) 5.488 5.545 ( 0.030 5.204 -1.743) 5.488 6.405 ( 0.372 -0.706 -0.773) 1.111 6.405 ( 0.372 0.706 -0.773) 1.111 6.521 ( 0.226 -1.613 -2.847) 3.280 6.521 ( 0.226 1.613 -2.847) 3.280 6.738 ( 0.282 -2.855 3.182) 4.284 6.738 ( 0.282 2.855 3.182) 4.284 7.078 ( -0.388 -5.925 10.165) 11.772 7.078 ( -0.388 5.925 10.165) 11.772 7.410 ( -1.430 -2.073 -4.454) 5.116 7.410 ( -1.430 2.073 -4.454) 5.116 7.956 ( -0.502 -6.059 -5.549) 8.231 7.956 ( -0.502 6.059 -5.549) 8.231 8.010 ( 0.291 -5.921 -2.177) 6.316 8.010 ( 0.291 5.921 -2.177) 6.316 8.355 ( -0.385 -1.913 5.140) 5.498 8.355 ( -0.385 1.913 5.140) 5.498 9.134 ( 1.136 -4.377 -5.870) 7.410 9.134 ( 1.136 4.377 -5.870) 7.410 9.337 ( 0.489 -5.370 -1.578) 5.618 9.337 ( 0.489 5.370 -1.578) 5.618 10.238 ( -0.905 -1.879 5.319) 5.714 10.238 ( -0.905 1.879 5.319) 5.714 11.558 ( 0.775 -9.254 -6.559) 11.370 11.558 ( 0.775 9.254 -6.559) 11.370 12.386 ( -0.386 -2.472 5.747) 6.268 12.386 ( -0.386 2.472 5.747) 6.268 13.364 ( 0.480 -7.083 -5.109) 8.746 13.364 ( 0.480 7.083 -5.109) 8.746 13.810 ( -2.007 -8.557 -4.178) 9.732 13.810 ( -2.007 8.557 -4.178) 9.732 13.932 ( 2.570 -5.952 -2.021) 6.791 13.932 ( 2.570 5.952 -2.021) 6.791 14.543 ( -1.127 -4.211 0.595) 4.400 14.543 ( -1.127 4.211 0.595) 4.400 15.235 ( 0.168 -3.801 2.277) 4.434 15.235 ( 0.168 3.801 2.277) 4.434 16.037 ( -0.933 -1.119 9.612) 9.721 16.037 ( -0.933 1.120 9.612) 9.721 16.673 ( 0.385 -6.616 -1.359) 6.765 16.673 ( 0.385 6.616 -1.359) 6.765 24.480 ( -0.030 -1.356 -0.273) 1.383 24.480 ( -0.030 1.356 -0.273) 1.383 24.686 ( 0.294 -0.222 -0.175) 0.407 24.686 ( 0.294 0.222 -0.175) 0.407 25.984 ( 0.625 -1.511 0.107) 1.638 25.984 ( 0.625 1.511 0.107) 1.638 26.230 ( -1.178 -1.376 3.846) 4.251 26.230 ( -1.178 1.376 3.846) 4.251 26.641 ( -0.222 -3.310 2.150) 3.953 26.641 ( -0.222 3.310 2.150) 3.953 27.709 ( 0.715 -4.647 -12.671) 13.515 27.709 ( 0.715 4.647 -12.671) 13.515 28.797 ( -0.201 -5.331 1.287) 5.488 28.797 ( -0.201 5.331 1.287) 5.488 29.330 ( -0.276 -7.087 5.104) 8.739 29.330 ( -0.276 7.087 5.104) 8.739 ======================= Grid point 73 (40/80) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 3.659 -7.485 2.147) 8.604 1.355 ( 3.659 7.485 2.147) 8.604 1.732 ( -2.218 -1.513 9.778) 10.140 1.732 ( -2.218 1.513 9.778) 10.140 1.938 ( 1.554 -2.930 -1.876) 3.810 1.938 ( 1.554 2.930 -1.876) 3.810 2.154 ( 1.204 -4.329 -2.163) 4.987 2.154 ( 1.204 4.329 -2.163) 4.987 2.422 ( -1.425 -4.637 -2.832) 5.617 2.422 ( -1.425 4.637 -2.832) 5.617 2.513 ( 0.448 -7.286 0.393) 7.310 2.513 ( 0.448 7.286 0.393) 7.310 2.625 ( 2.027 -6.087 5.856) 8.687 2.625 ( 2.027 6.087 5.856) 8.687 2.816 ( 3.891 -4.717 2.426) 6.578 2.816 ( 3.891 4.717 2.426) 6.578 3.069 ( -1.807 -4.585 -1.992) 5.315 3.069 ( -1.807 4.585 -1.992) 5.315 3.211 ( 3.534 -2.085 -0.156) 4.106 3.211 ( 3.534 2.085 -0.156) 4.106 3.340 ( 1.198 -3.622 -3.358) 5.082 3.340 ( 1.198 3.622 -3.358) 5.082 3.450 ( 1.682 -3.688 0.187) 4.058 3.450 ( 1.682 3.688 0.187) 4.058 3.726 ( -2.395 -3.421 -0.935) 4.279 3.726 ( -2.395 3.421 -0.935) 4.279 3.803 ( -7.762 -2.136 0.580) 8.071 3.803 ( -7.762 2.136 0.580) 8.071 3.961 ( -4.629 -3.620 5.481) 8.036 3.961 ( -4.629 3.620 5.481) 8.036 4.244 ( 1.137 -3.139 -1.512) 3.665 4.244 ( 1.137 3.139 -1.512) 3.665 4.792 ( 1.456 -2.410 -2.771) 3.951 4.792 ( 1.456 2.410 -2.771) 3.951 5.006 ( 1.544 -3.047 1.126) 3.597 5.006 ( 1.544 3.047 1.126) 3.597 5.139 ( 1.022 -3.631 -0.028) 3.772 5.139 ( 1.022 3.631 -0.028) 3.772 5.523 ( -1.843 -7.457 -1.065) 7.754 5.523 ( -1.843 7.457 -1.065) 7.754 6.413 ( 0.534 -1.434 -1.556) 2.182 6.413 ( 0.534 1.434 -1.556) 2.182 6.510 ( -0.621 -1.555 -2.891) 3.341 6.510 ( -0.621 1.555 -2.891) 3.341 6.749 ( 0.179 -3.088 1.791) 3.574 6.749 ( 0.179 3.088 1.791) 3.574 7.086 ( -0.558 -6.744 9.804) 11.913 7.086 ( -0.558 6.744 9.804) 11.913 7.368 ( -1.481 -3.359 -3.720) 5.227 7.368 ( -1.481 3.359 -3.720) 5.227 7.935 ( -0.459 -6.618 -4.817) 8.199 7.935 ( -0.459 6.618 -4.817) 8.199 8.016 ( 0.597 -6.939 -1.973) 7.239 8.016 ( 0.597 6.939 -1.973) 7.239 8.353 ( -0.665 -2.116 5.601) 6.025 8.353 ( -0.665 2.116 5.601) 6.025 9.148 ( 0.994 -4.332 -5.428) 7.015 9.148 ( 0.994 4.332 -5.428) 7.015 9.348 ( 0.743 -5.111 -1.792) 5.466 9.348 ( 0.743 5.111 -1.792) 5.466 10.223 ( -1.302 -1.975 5.256) 5.763 10.223 ( -1.302 1.975 5.256) 5.763 11.569 ( 1.199 -8.735 -6.543) 10.980 11.569 ( 1.199 8.735 -6.543) 10.980 12.385 ( -0.637 -2.714 5.539) 6.201 12.385 ( -0.637 2.714 5.539) 6.201 13.365 ( 0.374 -7.270 -5.202) 8.947 13.365 ( 0.374 7.270 -5.202) 8.947 13.771 ( -0.846 -5.417 -4.472) 7.075 13.771 ( -0.846 5.417 -4.472) 7.075 13.975 ( 1.616 -4.538 -0.858) 4.893 13.975 ( 1.616 4.538 -0.858) 4.893 14.516 ( -1.256 -4.147 -0.247) 4.340 14.516 ( -1.256 4.147 -0.247) 4.340 15.243 ( 0.106 -3.711 2.563) 4.511 15.243 ( 0.106 3.711 2.563) 4.511 16.035 ( -0.779 -0.904 9.656) 9.730 16.035 ( -0.779 0.904 9.656) 9.730 16.680 ( 0.442 -6.608 -1.232) 6.737 16.680 ( 0.442 6.608 -1.232) 6.737 24.482 ( 0.205 -1.363 -0.153) 1.387 24.482 ( 0.205 1.363 -0.153) 1.387 24.692 ( 0.278 -0.318 -0.290) 0.512 24.692 ( 0.278 0.318 -0.290) 0.512 25.999 ( 0.667 -2.600 0.251) 2.696 25.999 ( 0.667 2.600 0.251) 2.696 26.210 ( -1.178 -1.468 3.394) 3.881 26.210 ( -1.178 1.468 3.394) 3.881 26.638 ( -0.418 -2.878 2.366) 3.749 26.638 ( -0.418 2.878 2.366) 3.749 27.698 ( 0.377 -4.443 -12.640) 13.403 27.698 ( 0.377 4.443 -12.640) 13.403 28.792 ( -0.437 -5.237 1.119) 5.373 28.792 ( -0.437 5.237 1.119) 5.373 29.337 ( 0.036 -7.466 5.357) 9.189 29.337 ( 0.036 7.466 5.357) 9.189 ======================= Grid point 90 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -3.390 0.000 24.641) 24.873 0.954 ( 0.045 0.000 20.976) 20.976 1.508 ( 1.604 0.000 -6.812) 6.998 1.688 ( 4.218 0.000 -12.209) 12.917 1.713 ( 3.938 0.000 24.769) 25.080 1.809 ( 10.338 0.000 5.869) 11.888 1.873 ( 3.353 0.000 1.862) 3.835 1.989 ( -1.610 0.000 7.214) 7.392 1.993 ( -2.282 0.000 -2.997) 3.767 2.151 ( 1.984 0.000 -6.179) 6.489 2.187 ( -1.953 0.000 1.434) 2.423 2.483 ( -3.355 0.000 -1.229) 3.573 2.493 ( -4.005 0.000 17.581) 18.031 2.665 ( 2.558 0.000 2.700) 3.719 2.759 ( -5.655 0.000 -1.051) 5.752 2.833 ( -3.291 0.000 -10.173) 10.692 2.856 ( -0.762 0.000 -2.770) 2.873 3.071 ( -4.986 0.000 -5.179) 7.189 3.088 ( 5.329 0.000 -3.691) 6.482 3.154 ( 0.309 0.000 -4.554) 4.565 3.215 ( 0.233 0.000 6.829) 6.833 3.253 ( 0.963 0.000 -2.332) 2.523 3.397 ( -4.624 0.000 0.195) 4.628 3.495 ( 0.114 0.000 2.839) 2.841 3.508 ( -3.754 0.000 -1.813) 4.169 3.609 ( 3.894 0.000 2.081) 4.415 3.669 ( -0.408 0.000 1.121) 1.193 3.763 ( -1.317 0.000 0.555) 1.429 3.792 ( 1.491 0.000 -0.625) 1.617 3.802 ( -8.029 0.000 0.106) 8.029 4.047 ( 2.085 0.000 4.740) 5.178 4.110 ( 0.239 0.000 2.500) 2.511 4.113 ( 5.103 0.000 2.022) 5.489 4.300 ( 0.533 0.000 -1.122) 1.242 4.675 ( 1.891 0.000 -10.627) 10.794 4.783 ( 1.633 0.000 -23.939) 23.995 4.946 ( -6.970 0.000 3.566) 7.829 5.166 ( 1.237 0.000 -6.909) 7.019 5.547 ( 1.465 0.000 10.363) 10.466 5.669 ( -2.361 0.000 4.539) 5.116 6.031 ( 0.016 0.000 5.057) 5.057 6.289 ( 1.032 0.000 -7.365) 7.437 6.532 ( -1.738 0.000 0.889) 1.952 6.664 ( 11.098 0.000 -4.416) 11.944 7.005 ( -2.555 0.000 0.826) 2.685 7.100 ( -0.555 0.000 -1.231) 1.351 7.178 ( -0.110 0.000 4.436) 4.437 7.217 ( -0.329 0.000 7.533) 7.541 7.218 ( -1.183 0.000 9.234) 9.309 7.425 ( -2.532 0.000 -5.417) 5.980 7.644 ( 1.275 0.000 -2.538) 2.840 7.697 ( 2.137 0.000 -1.957) 2.898 7.806 ( 0.931 0.000 -7.286) 7.346 7.902 ( -0.262 0.000 -5.370) 5.377 8.538 ( -0.853 0.000 10.241) 10.277 8.878 ( -0.753 0.000 -6.138) 6.184 9.210 ( 1.263 0.000 -4.806) 4.969 9.224 ( -0.795 0.000 -5.866) 5.920 9.447 ( 2.091 0.000 9.100) 9.337 9.800 ( -2.612 0.000 -7.213) 7.671 10.547 ( -0.274 0.000 9.427) 9.431 10.847 ( 1.064 0.000 -6.122) 6.214 10.968 ( -1.290 0.000 19.432) 19.475 11.815 ( 1.542 0.000 -20.036) 20.095 12.595 ( -1.338 0.000 5.234) 5.403 12.835 ( 1.211 0.000 -5.283) 5.420 13.018 ( -0.515 0.000 6.768) 6.787 13.061 ( -0.001 0.000 2.097) 2.097 13.557 ( -0.328 0.000 4.797) 4.808 13.992 ( 1.219 0.000 -8.316) 8.405 14.061 ( 0.396 0.000 -4.097) 4.116 14.140 ( -5.509 0.000 -2.505) 6.051 14.376 ( -2.658 0.000 -0.066) 2.659 14.386 ( 4.885 0.000 -0.236) 4.891 15.340 ( -0.761 0.000 7.183) 7.224 15.516 ( 1.085 0.000 -1.540) 1.884 16.181 ( -3.034 0.000 9.628) 10.094 16.348 ( 1.826 0.000 0.329) 1.856 16.637 ( 4.122 0.000 1.742) 4.475 16.830 ( -0.487 0.000 -6.291) 6.310 24.490 ( -0.007 0.000 0.162) 0.162 24.508 ( 0.273 0.000 -0.785) 0.831 24.628 ( -0.326 0.000 0.845) 0.906 24.650 ( 0.193 0.000 -0.272) 0.334 26.058 ( 5.402 0.000 1.841) 5.707 26.116 ( 0.271 0.000 0.026) 0.273 26.171 ( -1.117 0.000 2.528) 2.764 26.302 ( -2.169 0.000 -1.811) 2.825 26.727 ( 0.166 0.000 3.780) 3.784 26.798 ( -0.109 0.000 4.457) 4.458 27.060 ( 0.589 0.000 -6.908) 6.933 27.106 ( -4.745 0.000 -6.191) 7.800 28.675 ( -2.008 0.000 7.899) 8.150 28.973 ( 0.419 0.000 -6.596) 6.609 29.631 ( 2.003 0.000 4.724) 5.131 29.748 ( 0.483 0.000 -0.683) 0.837 ======================= Grid point 91 (42/80) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 4.110 0.000 17.859) 18.326 1.067 ( 7.385 0.000 18.096) 19.545 1.534 ( 2.410 0.000 -9.996) 10.282 1.672 ( -5.975 0.000 -3.188) 6.772 1.767 ( -1.291 0.000 -0.318) 1.330 1.915 ( -3.587 0.000 -3.029) 4.695 1.927 ( 0.611 0.000 2.756) 2.823 2.020 ( 5.566 0.000 5.712) 7.976 2.048 ( -6.263 0.000 -19.563) 20.541 2.079 ( 7.044 0.000 14.100) 15.761 2.142 ( -4.165 0.000 9.176) 10.077 2.412 ( -3.839 0.000 2.658) 4.670 2.488 ( 0.658 0.000 21.987) 21.997 2.581 ( -4.073 0.000 2.434) 4.744 2.674 ( -0.365 0.000 1.177) 1.232 2.866 ( 4.830 0.000 -7.468) 8.894 2.904 ( 3.628 0.000 -6.439) 7.390 3.030 ( 3.036 0.000 -4.363) 5.316 3.153 ( -3.654 0.000 1.907) 4.122 3.163 ( 1.714 0.000 -4.606) 4.915 3.283 ( 1.823 0.000 -2.066) 2.755 3.300 ( 3.295 0.000 -1.516) 3.627 3.325 ( 3.451 0.000 5.377) 6.389 3.428 ( -3.458 0.000 0.509) 3.495 3.508 ( -2.268 0.000 2.605) 3.454 3.555 ( -11.426 0.000 5.342) 12.613 3.670 ( 1.245 0.000 0.646) 1.403 3.679 ( 0.281 0.000 1.335) 1.364 3.743 ( -0.724 0.000 2.150) 2.268 3.825 ( 1.746 0.000 -2.285) 2.876 4.060 ( -0.697 0.000 0.637) 0.944 4.132 ( 1.223 0.000 1.596) 2.011 4.283 ( 8.530 0.000 -0.733) 8.562 4.317 ( 1.389 0.000 -1.563) 2.091 4.673 ( -0.324 0.000 -9.356) 9.362 4.766 ( 0.807 0.000 -23.852) 23.866 4.940 ( 4.128 0.000 4.157) 5.859 5.201 ( 2.760 0.000 -4.425) 5.215 5.579 ( 0.101 0.000 11.387) 11.387 5.618 ( -2.667 0.000 2.303) 3.523 6.025 ( -1.223 0.000 5.356) 5.494 6.297 ( 0.806 0.000 -6.705) 6.753 6.527 ( 1.186 0.000 0.083) 1.189 6.962 ( -2.087 0.000 -1.120) 2.369 6.999 ( 19.016 0.000 -12.478) 22.744 7.080 ( -0.903 0.000 -0.695) 1.139 7.184 ( -0.402 0.000 8.756) 8.766 7.214 ( -0.624 0.000 8.227) 8.251 7.222 ( -0.254 0.000 3.867) 3.875 7.395 ( 0.255 0.000 -3.958) 3.967 7.671 ( 1.257 0.000 -0.833) 1.508 7.729 ( 1.826 0.000 -6.475) 6.727 7.813 ( 0.453 0.000 -3.663) 3.691 7.898 ( 1.047 0.000 -7.155) 7.231 8.567 ( 2.248 0.000 11.044) 11.271 8.866 ( 0.601 0.000 -4.679) 4.718 9.164 ( -6.314 0.000 -1.323) 6.451 9.198 ( -0.730 0.000 -6.900) 6.939 9.455 ( -2.517 0.000 8.456) 8.823 9.604 ( -11.069 0.000 -4.088) 11.800 10.541 ( -1.688 0.000 8.797) 8.958 10.843 ( -0.125 0.000 -6.797) 6.799 10.968 ( -1.880 0.000 19.285) 19.377 11.811 ( 1.405 0.000 -20.148) 20.196 12.596 ( 0.323 0.000 5.400) 5.410 12.860 ( 1.737 0.000 -5.076) 5.364 13.017 ( -0.691 0.000 6.703) 6.738 13.070 ( 0.435 0.000 1.806) 1.857 13.596 ( 2.300 0.000 2.341) 3.281 13.990 ( 0.335 0.000 -11.276) 11.281 14.100 ( 1.142 0.000 -1.476) 1.867 14.114 ( 4.760 0.000 2.413) 5.336 14.310 ( -3.394 0.000 -2.247) 4.070 14.523 ( 7.842 0.000 -2.427) 8.209 15.331 ( -1.154 0.000 6.932) 7.027 15.524 ( -0.081 0.000 -2.252) 2.254 16.131 ( -3.110 0.000 8.869) 9.398 16.364 ( -0.535 0.000 0.487) 0.724 16.603 ( -6.269 0.000 4.558) 7.751 16.806 ( -0.373 0.000 -7.473) 7.482 24.483 ( -0.577 0.000 0.155) 0.597 24.509 ( -0.103 0.000 -0.948) 0.954 24.624 ( -0.109 0.000 0.930) 0.936 24.655 ( 0.318 0.000 -0.280) 0.424 26.126 ( 0.539 0.000 -1.475) 1.571 26.170 ( 0.652 0.000 4.286) 4.335 26.222 ( 7.532 0.000 -3.195) 8.182 26.253 ( -1.712 0.000 -1.897) 2.555 26.729 ( -0.719 0.000 4.768) 4.822 26.809 ( 0.254 0.000 5.075) 5.081 27.061 ( 0.544 0.000 -6.689) 6.711 27.120 ( 6.747 0.000 -6.762) 9.552 28.682 ( 1.227 0.000 8.951) 9.034 28.986 ( 1.729 0.000 -5.893) 6.141 29.554 ( -8.773 0.000 5.924) 10.586 29.729 ( -1.862 0.000 -1.873) 2.641 ======================= Grid point 92 (43/80) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 5.737 0.000 7.929) 9.787 1.278 ( 8.647 0.000 13.553) 16.076 1.473 ( -10.884 0.000 2.629) 11.197 1.553 ( 0.118 0.000 -5.580) 5.581 1.699 ( -3.690 0.000 -3.785) 5.286 1.726 ( -10.267 0.000 -10.548) 14.719 1.895 ( -3.460 0.000 3.294) 4.777 1.925 ( -3.198 0.000 -6.547) 7.286 2.044 ( -9.117 0.000 11.147) 14.401 2.131 ( 1.655 0.000 -1.580) 2.288 2.188 ( 2.544 0.000 2.766) 3.758 2.348 ( -0.490 0.000 2.152) 2.207 2.443 ( 1.695 0.000 9.385) 9.537 2.668 ( -0.849 0.000 -0.521) 0.996 2.850 ( 17.984 0.000 18.973) 26.142 2.966 ( 6.631 0.000 -5.377) 8.537 2.972 ( 0.270 0.000 -5.611) 5.617 3.005 ( -5.808 0.000 5.878) 8.263 3.094 ( 1.374 0.000 -2.329) 2.704 3.239 ( -3.732 0.000 5.569) 6.703 3.246 ( 5.436 0.000 -4.166) 6.849 3.338 ( 1.490 0.000 -3.006) 3.355 3.366 ( -5.606 0.000 6.212) 8.367 3.392 ( -0.235 0.000 0.763) 0.799 3.441 ( -1.465 0.000 1.030) 1.791 3.500 ( 5.076 0.000 -0.012) 5.076 3.654 ( -2.474 0.000 -0.098) 2.476 3.696 ( 0.647 0.000 2.228) 2.320 3.745 ( 0.707 0.000 -1.692) 1.833 3.844 ( 0.311 0.000 -2.394) 2.414 4.040 ( -1.089 0.000 0.630) 1.258 4.143 ( -0.387 0.000 -1.054) 1.123 4.347 ( 1.165 0.000 0.529) 1.279 4.374 ( -0.146 0.000 -4.663) 4.665 4.655 ( 0.390 0.000 -7.116) 7.126 4.747 ( 1.302 0.000 -22.086) 22.124 5.054 ( 5.685 0.000 1.689) 5.931 5.238 ( 0.831 0.000 -3.168) 3.275 5.587 ( -1.404 0.000 10.340) 10.435 5.595 ( 0.503 0.000 3.097) 3.138 6.009 ( -1.068 0.000 6.018) 6.112 6.297 ( 0.344 0.000 -6.855) 6.863 6.568 ( 2.178 0.000 1.908) 2.895 6.902 ( -3.525 0.000 -3.643) 5.069 7.069 ( 0.057 0.000 -0.477) 0.481 7.191 ( -0.488 0.000 10.840) 10.851 7.203 ( -0.717 0.000 11.652) 11.674 7.217 ( -0.798 0.000 2.935) 3.041 7.274 ( 6.802 0.000 -20.803) 21.887 7.434 ( 4.837 0.000 -1.525) 5.071 7.677 ( -0.606 0.000 -0.182) 0.633 7.756 ( 2.225 0.000 -10.243) 10.482 7.796 ( -2.187 0.000 -2.991) 3.705 7.919 ( 1.910 0.000 -7.809) 8.039 8.675 ( 6.174 0.000 10.982) 12.599 8.890 ( 2.249 0.000 -2.331) 3.239 8.947 ( -12.662 0.000 8.294) 15.137 9.178 ( 0.266 0.000 -7.962) 7.967 9.391 ( -4.296 0.000 4.958) 6.560 9.471 ( -1.326 0.000 -5.529) 5.686 10.518 ( -1.627 0.000 8.083) 8.245 10.829 ( 0.020 0.000 -7.534) 7.534 10.959 ( -2.015 0.000 19.463) 19.567 11.808 ( 1.582 0.000 -20.153) 20.215 12.613 ( 0.320 0.000 5.899) 5.908 12.875 ( 0.368 0.000 -5.009) 5.023 13.014 ( -0.682 0.000 6.848) 6.882 13.079 ( 0.076 0.000 1.241) 1.243 13.631 ( 0.713 0.000 2.068) 2.187 13.976 ( 0.151 0.000 -9.535) 9.536 14.142 ( 2.731 0.000 -2.825) 3.929 14.225 ( 0.406 0.000 -2.289) 2.325 14.253 ( 2.712 0.000 3.476) 4.408 14.657 ( 5.027 0.000 -8.352) 9.749 15.321 ( -0.797 0.000 6.698) 6.745 15.504 ( -1.438 0.000 -2.841) 3.184 16.100 ( -0.902 0.000 9.365) 9.409 16.332 ( -2.155 0.000 -0.794) 2.296 16.471 ( -6.778 0.000 10.283) 12.316 16.801 ( 1.127 0.000 -7.743) 7.825 24.474 ( -0.261 0.000 0.273) 0.378 24.503 ( -0.226 0.000 -1.104) 1.127 24.627 ( 0.153 0.000 1.042) 1.053 24.659 ( 0.066 0.000 -0.436) 0.441 26.129 ( -0.194 0.000 1.346) 1.360 26.193 ( -2.934 0.000 -0.525) 2.981 26.201 ( 1.315 0.000 2.419) 2.753 26.333 ( 3.078 0.000 -4.201) 5.208 26.721 ( -0.749 0.000 5.229) 5.283 26.819 ( -0.291 0.000 5.854) 5.861 27.060 ( 0.509 0.000 -6.621) 6.641 27.283 ( 8.976 0.000 -15.231) 17.679 28.748 ( 3.343 0.000 9.457) 10.031 29.013 ( 1.416 0.000 -4.936) 5.135 29.367 ( -9.417 0.000 10.875) 14.386 29.685 ( -1.467 0.000 -3.809) 4.082 ======================= Grid point 93 (44/80) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -2.902 0.000 8.720) 9.190 1.190 ( -12.309 0.000 13.369) 18.172 1.482 ( 3.649 0.000 -5.807) 6.858 1.513 ( -3.034 0.000 0.095) 3.036 1.611 ( 1.680 0.000 -4.387) 4.698 1.676 ( 2.102 0.000 0.595) 2.184 1.832 ( -10.279 0.000 17.273) 20.100 1.865 ( 0.167 0.000 0.028) 0.169 1.866 ( 1.409 0.000 -0.691) 1.569 2.126 ( -1.248 0.000 3.104) 3.345 2.254 ( 1.947 0.000 2.768) 3.384 2.398 ( 4.445 0.000 -5.153) 6.806 2.481 ( -1.529 0.000 9.351) 9.476 2.645 ( -1.174 0.000 -0.583) 1.311 2.851 ( -2.921 0.000 -0.378) 2.945 3.045 ( 1.801 0.000 -0.674) 1.923 3.061 ( 0.435 0.000 -4.974) 4.993 3.114 ( 2.898 0.000 -3.348) 4.428 3.153 ( -4.696 0.000 3.343) 5.764 3.252 ( 13.538 0.000 16.240) 21.143 3.254 ( -1.244 0.000 -1.726) 2.128 3.273 ( -3.659 0.000 3.389) 4.988 3.344 ( -3.230 0.000 -4.143) 5.253 3.421 ( 1.818 0.000 0.628) 1.924 3.452 ( 5.440 0.000 -0.936) 5.520 3.590 ( -2.980 0.000 -0.204) 2.987 3.614 ( 4.407 0.000 0.534) 4.440 3.716 ( 1.330 0.000 1.663) 2.129 3.762 ( 1.320 0.000 -5.016) 5.186 3.827 ( -1.485 0.000 -2.218) 2.669 4.030 ( 0.265 0.000 0.649) 0.701 4.125 ( -0.803 0.000 -1.267) 1.500 4.274 ( -7.948 0.000 -2.527) 8.340 4.345 ( -1.614 0.000 1.928) 2.515 4.658 ( 0.709 0.000 -8.141) 8.172 4.753 ( 2.715 0.000 -21.089) 21.263 5.157 ( 3.700 0.000 0.760) 3.777 5.218 ( -1.595 0.000 -5.491) 5.718 5.547 ( -3.907 0.000 7.637) 8.579 5.640 ( 2.376 0.000 6.255) 6.691 6.005 ( -0.402 0.000 6.768) 6.780 6.290 ( 0.190 0.000 -7.623) 7.625 6.600 ( 0.018 0.000 4.054) 4.054 6.800 ( -5.934 0.000 -7.113) 9.263 7.080 ( 0.967 0.000 -1.102) 1.466 7.183 ( -3.135 0.000 5.558) 6.381 7.191 ( -1.091 0.000 5.455) 5.563 7.210 ( -0.534 0.000 8.442) 8.459 7.273 ( -2.031 0.000 -8.855) 9.085 7.541 ( 4.449 0.000 -4.864) 6.592 7.655 ( -1.118 0.000 -1.649) 1.992 7.695 ( -6.457 0.000 -1.146) 6.558 7.785 ( 2.026 0.000 -11.830) 12.002 7.933 ( 0.424 0.000 -6.359) 6.373 8.667 ( -7.799 0.000 9.204) 12.064 8.926 ( 0.802 0.000 -2.531) 2.655 8.945 ( 10.063 0.000 9.822) 14.062 9.204 ( 3.847 0.000 -6.586) 7.627 9.323 ( -2.412 0.000 2.685) 3.609 9.504 ( 5.420 0.000 -3.418) 6.407 10.510 ( -0.429 0.000 8.255) 8.266 10.821 ( 0.486 0.000 -7.496) 7.512 10.954 ( -1.602 0.000 19.703) 19.768 11.810 ( 1.830 0.000 -20.067) 20.150 12.624 ( -0.256 0.000 6.111) 6.116 12.860 ( -0.780 0.000 -5.130) 5.189 13.013 ( -0.503 0.000 6.965) 6.984 13.075 ( -0.577 0.000 1.255) 1.381 13.633 ( -0.902 0.000 2.565) 2.719 13.969 ( 0.618 0.000 -7.502) 7.527 14.162 ( -2.967 0.000 -6.288) 6.953 14.191 ( 2.479 0.000 -2.589) 3.585 14.361 ( 3.724 0.000 5.669) 6.783 14.649 ( -4.846 0.000 -15.058) 15.818 15.324 ( -0.048 0.000 6.844) 6.844 15.475 ( -0.327 0.000 -1.568) 1.602 16.146 ( 3.708 0.000 10.469) 11.106 16.297 ( -0.635 0.000 -1.575) 1.698 16.385 ( -2.990 0.000 13.249) 13.582 16.820 ( 1.678 0.000 -6.939) 7.139 24.475 ( 0.301 0.000 0.337) 0.451 24.499 ( 0.067 0.000 -1.051) 1.053 24.631 ( 0.087 0.000 1.027) 1.031 24.656 ( -0.279 0.000 -0.498) 0.571 26.125 ( -3.813 0.000 -0.092) 3.814 26.125 ( -0.504 0.000 2.820) 2.865 26.216 ( -0.261 0.000 1.333) 1.358 26.357 ( 0.222 0.000 -2.787) 2.796 26.717 ( -0.469 0.000 4.774) 4.797 26.814 ( -1.059 0.000 5.715) 5.812 27.060 ( 0.538 0.000 -6.828) 6.849 27.372 ( 1.689 0.000 -20.654) 20.723 28.803 ( -0.884 0.000 6.283) 6.345 29.015 ( -0.373 0.000 -5.182) 5.195 29.285 ( 1.191 0.000 17.348) 17.389 29.676 ( 1.371 0.000 -3.679) 3.927 ======================= Grid point 94 (45/80) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -7.841 0.000 18.697) 20.275 1.012 ( -10.296 0.000 23.038) 25.234 1.472 ( 0.566 0.000 1.433) 1.541 1.570 ( 7.832 0.000 -9.000) 11.930 1.659 ( 3.394 0.000 -3.390) 4.797 1.682 ( -3.353 0.000 8.278) 8.931 1.787 ( 3.795 0.000 6.965) 7.932 1.958 ( 5.989 0.000 0.852) 6.049 1.964 ( 5.003 0.000 6.807) 8.448 2.110 ( 0.090 0.000 0.685) 0.691 2.238 ( -3.046 0.000 3.714) 4.804 2.475 ( 0.515 0.000 11.846) 11.857 2.482 ( 3.407 0.000 -1.776) 3.842 2.627 ( 0.010 0.000 0.376) 0.376 2.811 ( -2.267 0.000 -2.540) 3.405 2.979 ( -6.449 0.000 -11.268) 12.982 2.994 ( -6.860 0.000 -1.766) 7.084 3.076 ( -2.310 0.000 -2.946) 3.744 3.140 ( 0.126 0.000 -5.037) 5.039 3.206 ( -1.014 0.000 7.580) 7.647 3.211 ( -4.429 0.000 0.394) 4.447 3.269 ( -2.116 0.000 -5.307) 5.713 3.405 ( 1.467 0.000 2.450) 2.856 3.516 ( 2.705 0.000 -0.129) 2.708 3.544 ( 2.243 0.000 3.575) 4.221 3.572 ( -0.121 0.000 -0.958) 0.965 3.654 ( 0.404 0.000 0.763) 0.863 3.772 ( 0.424 0.000 -1.427) 1.489 3.786 ( 5.807 0.000 1.324) 5.956 3.792 ( -1.260 0.000 -2.330) 2.648 4.052 ( 1.093 0.000 -0.682) 1.288 4.099 ( -7.152 0.000 4.552) 8.478 4.112 ( -0.472 0.000 0.728) 0.867 4.308 ( -1.590 0.000 1.627) 2.275 4.658 ( 1.039 0.000 -9.697) 9.753 4.776 ( 2.770 0.000 -22.385) 22.556 5.141 ( -7.309 0.000 -2.176) 7.626 5.177 ( -1.009 0.000 -7.329) 7.398 5.500 ( -0.043 0.000 8.208) 8.208 5.683 ( 0.294 0.000 6.602) 6.609 6.014 ( 0.241 0.000 6.503) 6.507 6.284 ( 0.595 0.000 -7.913) 7.935 6.578 ( -2.494 0.000 3.503) 4.300 6.645 ( -6.296 0.000 -6.541) 9.079 7.084 ( -5.407 0.000 -0.638) 5.445 7.098 ( 0.865 0.000 -1.829) 2.024 7.179 ( -0.609 0.000 2.818) 2.883 7.213 ( -0.689 0.000 10.106) 10.129 7.232 ( -1.643 0.000 6.714) 6.912 7.516 ( -4.925 0.000 -7.687) 9.129 7.636 ( -0.155 0.000 -2.816) 2.820 7.649 ( 2.139 0.000 2.054) 2.965 7.800 ( 1.254 0.000 -10.338) 10.413 7.920 ( -0.530 0.000 -5.115) 5.142 8.565 ( -3.683 0.000 10.094) 10.745 8.910 ( -1.179 0.000 -5.569) 5.692 9.139 ( 6.526 0.000 -0.780) 6.572 9.246 ( -0.084 0.000 -5.757) 5.758 9.353 ( 4.760 0.000 6.412) 7.985 9.686 ( 11.303 0.000 -1.789) 11.444 10.526 ( 0.473 0.000 8.989) 9.001 10.828 ( 1.362 0.000 -6.561) 6.701 10.960 ( -1.156 0.000 19.686) 19.720 11.814 ( 1.813 0.000 -19.990) 20.072 12.619 ( -1.347 0.000 5.575) 5.735 12.836 ( -0.439 0.000 -5.257) 5.276 13.016 ( -0.394 0.000 6.935) 6.946 13.064 ( -0.597 0.000 1.758) 1.857 13.598 ( -3.009 0.000 3.442) 4.572 13.977 ( 1.190 0.000 -6.172) 6.286 14.095 ( -2.259 0.000 -7.438) 7.774 14.231 ( 1.036 0.000 -2.740) 2.929 14.405 ( -0.105 0.000 2.960) 2.962 14.435 ( -10.800 0.000 -10.758) 15.244 15.336 ( -0.076 0.000 7.177) 7.177 15.490 ( 1.510 0.000 -0.983) 1.802 16.211 ( -0.751 0.000 9.666) 9.695 16.307 ( 1.693 0.000 -0.829) 1.885 16.459 ( 8.800 0.000 10.603) 13.779 16.837 ( 0.869 0.000 -6.119) 6.181 24.484 ( 0.443 0.000 0.317) 0.545 24.502 ( 0.375 0.000 -0.860) 0.938 24.632 ( -0.192 0.000 0.908) 0.929 24.650 ( -0.147 0.000 -0.372) 0.400 26.046 ( -3.283 0.000 1.663) 3.680 26.118 ( -0.554 0.000 2.554) 2.613 26.198 ( -1.513 0.000 0.930) 1.776 26.341 ( -1.245 0.000 -2.205) 2.532 26.719 ( -0.076 0.000 4.156) 4.156 26.801 ( -0.906 0.000 4.821) 4.905 27.060 ( 0.591 0.000 -6.994) 7.019 27.274 ( -7.284 0.000 -17.227) 18.703 28.737 ( -4.865 0.000 6.351) 8.000 28.990 ( -0.842 0.000 -6.258) 6.315 29.462 ( 10.726 0.000 13.753) 17.441 29.716 ( 2.432 0.000 -1.718) 2.978 ======================= Grid point 95 (46/80) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -1.014 6.421 19.867) 20.904 1.128 ( 0.296 14.784 17.461) 22.881 1.553 ( 0.314 4.117 -7.634) 8.679 1.693 ( 4.436 1.400 -8.321) 9.533 1.748 ( 1.481 2.887 12.237) 12.660 1.885 ( 0.774 6.598 2.259) 7.017 1.969 ( 7.707 5.985 0.105) 9.758 1.991 ( -1.691 0.276 -1.435) 2.234 2.049 ( 4.128 7.823 12.620) 15.411 2.170 ( -1.855 -0.180 1.063) 2.145 2.200 ( 2.236 4.347 -2.537) 5.508 2.513 ( -2.638 3.340 6.179) 7.503 2.528 ( -3.489 2.186 5.435) 6.818 2.715 ( -1.665 3.722 6.576) 7.738 2.766 ( 2.888 2.575 -0.267) 3.879 2.875 ( -9.547 6.029 -5.222) 12.441 2.954 ( 2.688 4.656 -1.011) 5.470 3.050 ( -2.939 -1.816 -5.049) 6.118 3.084 ( -0.444 0.801 -3.860) 3.967 3.138 ( 0.626 -0.104 -4.921) 4.962 3.207 ( 0.786 -0.669 3.188) 3.351 3.255 ( 0.259 -0.147 2.839) 2.854 3.392 ( -4.043 0.232 -3.295) 5.221 3.452 ( 0.374 0.387 3.180) 3.225 3.577 ( -1.480 -1.297 -1.987) 2.797 3.609 ( -1.356 3.921 -1.487) 4.407 3.654 ( -1.692 -1.749 0.902) 2.596 3.768 ( -0.512 0.391 -0.266) 0.697 3.806 ( 0.554 1.838 3.961) 4.401 3.907 ( -2.867 7.100 -3.222) 8.308 4.065 ( 2.095 2.430 3.427) 4.694 4.102 ( 2.718 0.554 0.649) 2.848 4.177 ( 1.287 4.839 1.445) 5.212 4.356 ( 0.872 6.184 0.234) 6.250 4.652 ( 0.068 -0.960 -11.304) 11.345 4.834 ( 0.296 4.507 -8.763) 9.859 5.005 ( -3.098 6.478 -6.473) 9.667 5.169 ( 1.777 0.501 -6.493) 6.750 5.501 ( 0.860 -3.320 9.698) 10.287 5.692 ( -1.848 -0.220 2.817) 3.376 6.090 ( -0.047 5.440 4.368) 6.977 6.296 ( 1.085 0.876 -5.568) 5.740 6.532 ( -2.260 -0.473 0.083) 2.311 6.633 ( 9.807 -2.796 -3.712) 10.852 6.904 ( -3.387 -6.700 2.344) 7.865 7.055 ( 0.627 -6.825 -2.529) 7.305 7.121 ( -2.950 -1.522 9.130) 9.715 7.250 ( 0.391 4.681 4.660) 6.616 7.326 ( 0.449 5.573 -1.111) 5.701 7.500 ( -1.503 5.087 -0.729) 5.354 7.651 ( 0.508 0.543 -0.212) 0.773 7.736 ( 2.517 1.436 1.030) 3.075 7.806 ( 1.079 2.583 -11.988) 12.311 7.908 ( -0.112 0.742 -6.130) 6.176 8.507 ( -1.192 -2.765 10.253) 10.686 8.847 ( -0.389 -3.551 -5.790) 6.803 9.169 ( 0.720 -4.287 -0.854) 4.430 9.206 ( -0.742 -1.644 -4.710) 5.044 9.436 ( 1.436 -1.287 6.368) 6.654 9.656 ( -1.018 -10.570 -2.262) 10.857 10.502 ( -0.851 -4.505 9.032) 10.129 10.760 ( 0.655 -7.959 -0.486) 8.001 11.039 ( -1.091 6.036 10.543) 12.198 11.764 ( 1.549 -4.946 -18.644) 19.351 12.558 ( -0.483 -2.750 5.299) 5.990 12.806 ( 0.070 -2.893 -5.204) 5.955 13.095 ( -0.197 5.838 7.694) 9.660 13.181 ( 0.388 10.129 0.990) 10.185 13.520 ( -0.193 -2.198 0.511) 2.265 13.869 ( 1.608 -11.458 -11.884) 16.587 14.045 ( 1.311 -0.623 1.181) 1.871 14.127 ( -5.212 -1.401 -2.131) 5.802 14.361 ( -4.532 0.120 1.647) 4.823 14.450 ( 5.765 3.505 -3.721) 7.705 15.330 ( -0.721 -1.033 6.769) 6.886 15.496 ( 0.854 -2.113 -1.346) 2.647 16.186 ( -2.597 0.640 9.580) 9.946 16.377 ( 1.547 2.800 -0.136) 3.202 16.509 ( 3.050 -9.281 9.281) 13.475 16.839 ( -0.579 -0.416 -6.662) 6.700 24.480 ( -0.102 -0.770 0.591) 0.976 24.516 ( 0.272 0.441 -1.256) 1.359 24.644 ( -0.216 1.311 0.328) 1.369 24.652 ( 0.124 0.301 -0.086) 0.336 26.031 ( 2.523 -1.907 2.408) 3.975 26.115 ( -0.436 -0.372 -0.814) 0.995 26.206 ( 2.047 2.208 1.826) 3.521 26.295 ( -2.448 -0.465 -0.382) 2.521 26.680 ( 0.259 -1.958 4.483) 4.899 26.926 ( -0.432 3.747 4.241) 5.675 26.942 ( -0.633 -0.116 -7.829) 7.856 27.249 ( -1.888 8.068 -9.982) 12.973 28.683 ( -1.706 0.829 7.342) 7.583 28.957 ( 0.403 -1.551 -6.047) 6.256 29.522 ( 1.646 -7.799 10.252) 12.986 29.724 ( 0.118 -3.177 -1.758) 3.633 ======================= Grid point 96 (47/80) ======================= q-point: ( 0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 4.022 7.633 15.358) 17.616 1.230 ( 7.122 14.462 13.756) 21.192 1.574 ( 2.843 3.913 -8.061) 9.401 1.721 ( -1.757 4.245 -2.884) 5.425 1.780 ( -0.402 1.246 0.114) 1.314 1.880 ( -2.158 0.393 2.795) 3.553 1.961 ( -1.859 3.579 -3.303) 5.213 2.031 ( 1.070 1.833 -4.936) 5.373 2.122 ( -1.521 0.331 5.211) 5.439 2.166 ( -3.324 7.008 0.834) 7.801 2.234 ( 5.529 11.436 4.826) 13.588 2.431 ( -3.813 2.243 6.042) 7.489 2.473 ( -4.594 -0.001 16.758) 17.376 2.615 ( -5.595 3.884 1.499) 6.974 2.746 ( 0.473 4.359 -4.501) 6.283 2.843 ( 1.888 1.921 0.380) 2.720 2.998 ( 4.634 1.239 -0.664) 4.842 3.052 ( 1.233 5.034 -5.287) 7.404 3.096 ( -0.819 -4.849 -1.012) 5.021 3.139 ( 1.803 -1.564 -5.001) 5.542 3.255 ( 2.462 -2.787 2.066) 4.254 3.277 ( 1.485 0.077 0.890) 1.733 3.330 ( 0.023 2.180 2.577) 3.375 3.466 ( -2.284 -4.548 4.033) 6.494 3.534 ( -2.639 3.453 -1.292) 4.534 3.596 ( -0.607 5.610 -1.065) 5.743 3.612 ( -1.799 -1.646 2.044) 3.182 3.706 ( -3.865 4.557 3.181) 6.769 3.830 ( -0.123 5.222 0.799) 5.284 3.856 ( 2.100 3.185 0.027) 3.815 4.067 ( -0.963 0.496 -0.741) 1.313 4.184 ( 1.522 3.145 -1.300) 3.728 4.267 ( 6.858 -0.003 1.427) 7.005 4.379 ( 1.185 6.182 -0.099) 6.296 4.634 ( 0.200 -1.635 -9.313) 9.458 4.858 ( 1.962 7.898 -15.055) 17.114 4.984 ( 2.299 4.600 -1.712) 5.420 5.208 ( 2.465 0.756 -4.179) 4.911 5.510 ( -1.188 -3.692 9.069) 9.863 5.659 ( -1.414 -0.033 2.478) 2.853 6.088 ( -0.770 5.878 4.085) 7.199 6.308 ( 0.823 1.235 -4.909) 5.128 6.522 ( 1.035 -0.685 0.353) 1.291 6.845 ( -1.284 -8.680 -1.492) 8.901 6.903 ( 12.476 -7.280 -6.248) 15.738 7.067 ( 0.558 -7.158 2.347) 7.553 7.098 ( 0.405 -0.220 5.731) 5.749 7.262 ( -0.110 5.089 4.377) 6.713 7.340 ( 1.326 6.437 -2.649) 7.086 7.483 ( -0.190 5.795 -0.181) 5.801 7.663 ( 0.246 -0.822 1.415) 1.655 7.782 ( 1.731 0.988 -0.515) 2.059 7.808 ( 0.967 3.612 -11.697) 12.280 7.905 ( 1.112 0.818 -7.640) 7.763 8.524 ( 1.361 -3.723 11.016) 11.708 8.838 ( 0.269 -3.565 -4.063) 5.412 9.114 ( -6.407 -4.533 2.649) 8.284 9.186 ( -0.520 -1.171 -6.122) 6.255 9.428 ( -2.825 -2.330 4.780) 6.022 9.558 ( -5.811 -4.063 -3.003) 7.700 10.494 ( -1.229 -4.349 8.596) 9.711 10.761 ( -0.478 -7.461 -0.186) 7.479 11.028 ( -1.434 5.360 10.644) 12.003 11.762 ( 1.341 -4.773 -18.737) 19.382 12.571 ( 0.500 -2.161 5.668) 6.087 12.812 ( 1.148 -3.981 -4.430) 6.066 13.096 ( -0.865 6.342 6.662) 9.238 13.175 ( -0.857 8.667 2.405) 9.035 13.552 ( 2.403 -2.609 -1.766) 3.962 13.869 ( 0.341 -10.694 -11.468) 15.684 14.054 ( 1.748 -2.526 1.259) 3.320 14.174 ( 6.497 1.173 -1.003) 6.678 14.267 ( -4.526 -1.085 0.209) 4.659 14.564 ( 5.739 2.596 -3.586) 7.248 15.320 ( -1.272 -1.154 6.585) 6.805 15.499 ( -0.345 -2.537 -1.952) 3.220 16.146 ( -2.659 1.433 9.080) 9.569 16.389 ( -0.602 2.388 -0.230) 2.474 16.514 ( -3.562 -7.089 9.473) 12.357 16.807 ( -0.817 -0.504 -7.475) 7.536 24.473 ( -0.515 -0.713 0.535) 1.029 24.513 ( -0.224 0.301 -1.241) 1.297 24.639 ( -0.229 1.225 0.506) 1.345 24.657 ( 0.287 0.231 -0.135) 0.392 26.069 ( 1.150 -3.667 -0.366) 3.861 26.136 ( 0.507 -2.751 1.198) 3.043 26.255 ( -0.821 0.600 1.603) 1.899 26.280 ( 4.552 2.842 -1.615) 5.604 26.685 ( -0.632 -1.867 4.923) 5.303 26.936 ( 1.345 -0.559 -6.819) 6.973 26.941 ( 1.066 3.810 3.309) 5.157 27.254 ( 3.852 7.791 -9.671) 13.003 28.689 ( 0.965 0.758 8.217) 8.308 28.969 ( 1.595 -1.643 -5.457) 5.918 29.486 ( -6.109 -5.332 8.968) 12.090 29.697 ( -1.933 -3.270 -2.186) 4.383 ======================= Grid point 97 (48/80) ======================= q-point: ( 0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 4.123 5.509 9.499) 11.730 1.436 ( 8.932 13.721 9.886) 19.126 1.564 ( -8.084 7.728 2.793) 11.527 1.615 ( -2.538 4.990 -4.330) 7.077 1.741 ( -2.903 6.245 -3.502) 7.726 1.819 ( -6.045 4.068 -6.791) 9.960 1.844 ( -2.446 1.136 2.384) 3.600 2.029 ( -4.921 5.574 1.584) 7.603 2.078 ( -4.163 4.355 4.817) 7.714 2.146 ( 2.717 1.939 -0.231) 3.345 2.238 ( -4.622 5.676 0.317) 7.327 2.356 ( -2.697 0.618 2.306) 3.602 2.436 ( 1.456 -1.393 8.854) 9.080 2.616 ( 2.524 -0.808 3.883) 4.701 2.861 ( 7.795 -1.251 -5.576) 9.665 2.917 ( 6.062 -0.354 5.077) 7.915 2.997 ( -4.149 0.001 -3.343) 5.329 3.078 ( 1.075 -2.281 -2.217) 3.358 3.099 ( 3.478 4.230 1.552) 5.692 3.236 ( 2.724 2.494 3.640) 5.186 3.275 ( 3.522 0.388 -1.854) 3.999 3.304 ( -2.392 -3.671 2.709) 5.151 3.340 ( -2.699 -4.100 7.200) 8.714 3.354 ( -0.400 3.388 1.345) 3.667 3.534 ( 1.055 2.715 -1.763) 3.404 3.579 ( -0.892 0.734 1.351) 1.778 3.630 ( 2.793 7.666 -0.530) 8.176 3.671 ( -0.638 2.248 0.504) 2.390 3.832 ( -0.087 4.531 0.891) 4.618 3.892 ( 0.915 5.882 -1.048) 6.044 4.050 ( -0.470 -0.427 -0.103) 0.643 4.180 ( -1.301 3.488 -2.553) 4.514 4.347 ( 0.032 -1.496 -2.081) 2.563 4.394 ( -0.187 4.308 0.763) 4.379 4.637 ( 1.480 -0.338 -7.673) 7.822 4.855 ( 1.421 10.140 -17.400) 20.189 5.064 ( 4.210 1.294 0.853) 4.486 5.236 ( 0.519 -0.202 -3.043) 3.094 5.495 ( -1.652 -4.291 9.046) 10.147 5.654 ( 0.591 0.304 2.522) 2.608 6.079 ( -0.740 6.410 4.627) 7.940 6.310 ( 0.201 1.366 -5.303) 5.480 6.557 ( 1.569 -1.368 1.946) 2.849 6.801 ( -2.360 -7.598 -1.245) 8.053 7.014 ( 0.577 -6.352 -0.085) 6.379 7.082 ( 0.227 -6.750 3.882) 7.791 7.199 ( 5.701 -3.046 -0.637) 6.495 7.258 ( -0.821 5.219 3.234) 6.195 7.364 ( 1.008 7.100 -6.481) 9.666 7.499 ( 2.344 3.872 0.752) 4.588 7.657 ( -1.119 -2.125 1.772) 2.984 7.787 ( -1.161 -0.504 -4.126) 4.315 7.808 ( 0.815 5.276 -10.732) 11.986 7.926 ( 1.877 0.623 -8.243) 8.477 8.608 ( 4.744 -5.681 11.054) 13.303 8.813 ( -4.513 -6.614 4.022) 8.960 8.975 ( -3.795 1.348 2.771) 4.889 9.170 ( 0.444 -0.855 -7.292) 7.355 9.363 ( -3.572 -1.876 2.245) 4.617 9.477 ( -1.230 -0.578 -5.149) 5.326 10.485 ( -0.931 -3.153 8.145) 8.783 10.746 ( -0.829 -7.114 0.386) 7.173 11.021 ( -0.986 5.105 10.299) 11.537 11.758 ( 1.385 -4.814 -18.830) 19.485 12.587 ( 0.018 -2.288 6.104) 6.518 12.829 ( 0.984 -3.906 -3.808) 5.543 13.085 ( -1.088 6.249 6.443) 9.041 13.163 ( -0.712 6.940 2.686) 7.476 13.585 ( 1.030 -2.910 -2.035) 3.697 13.857 ( 0.375 -10.538 -10.470) 14.860 14.107 ( 1.048 -3.038 1.112) 3.401 14.197 ( -0.286 -3.176 -3.340) 4.618 14.313 ( 5.983 4.458 1.316) 7.577 14.648 ( 2.420 -0.694 -6.766) 7.219 15.306 ( -0.926 -1.427 6.375) 6.599 15.477 ( -1.283 -2.556 -2.288) 3.663 16.121 ( -0.871 1.981 9.447) 9.692 16.355 ( -2.181 2.184 -1.170) 3.300 16.436 ( -5.021 -2.965 12.008) 13.349 16.797 ( 1.102 -0.578 -7.620) 7.721 24.466 ( -0.235 -0.604 0.543) 0.846 24.505 ( -0.279 0.123 -1.295) 1.331 24.639 ( 0.088 1.071 0.706) 1.286 24.661 ( 0.067 0.169 -0.276) 0.331 26.090 ( 0.323 -3.200 0.477) 3.251 26.123 ( -0.842 -4.246 -0.405) 4.348 26.243 ( -0.986 1.904 3.479) 4.087 26.358 ( 2.496 1.447 -1.498) 3.251 26.677 ( -0.895 -1.930 5.973) 6.340 26.942 ( 0.196 9.015 -1.655) 9.168 26.976 ( 1.493 -6.130 -3.295) 7.118 27.349 ( 6.224 4.990 -14.247) 16.328 28.741 ( 2.391 -0.415 8.689) 9.021 28.994 ( 1.311 -1.881 -4.710) 5.238 29.352 ( -7.375 -1.142 11.246) 13.497 29.657 ( -1.143 -2.732 -3.399) 4.508 ======================= Grid point 98 (49/80) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -2.179 5.116 11.824) 13.066 1.315 ( -11.478 9.567 10.551) 18.292 1.554 ( 0.355 6.066 -6.776) 9.101 1.598 ( -2.203 8.004 -1.124) 8.378 1.675 ( -0.145 7.929 -0.330) 7.937 1.776 ( 1.777 7.996 -0.237) 8.194 1.831 ( 2.316 1.481 2.752) 3.890 1.922 ( -6.945 8.258 16.151) 19.424 1.988 ( -0.106 8.150 -2.581) 8.550 2.147 ( -1.730 2.325 3.474) 4.524 2.227 ( 0.227 -2.542 3.389) 4.242 2.390 ( 4.590 0.297 -1.427) 4.816 2.456 ( 0.627 -1.947 2.503) 3.232 2.686 ( 2.269 3.015 1.879) 4.215 2.865 ( -4.092 0.483 -3.045) 5.124 2.994 ( 5.005 -3.872 -0.932) 6.396 3.022 ( 0.574 -2.073 -6.480) 6.828 3.091 ( -0.044 -1.377 -2.375) 2.746 3.114 ( -1.851 -0.792 3.585) 4.112 3.261 ( -0.975 -0.437 2.853) 3.046 3.286 ( -4.031 0.684 -1.255) 4.277 3.293 ( -0.125 -0.469 4.852) 4.876 3.399 ( 7.351 0.949 7.350) 10.438 3.415 ( 5.927 1.571 -0.020) 6.132 3.525 ( -0.190 6.118 -1.044) 6.210 3.597 ( 0.678 -1.371 -0.237) 1.547 3.632 ( -0.108 5.562 0.655) 5.602 3.720 ( 3.687 3.744 -1.586) 5.489 3.830 ( -0.290 4.226 -1.833) 4.615 3.879 ( -1.799 5.792 -2.595) 6.597 4.051 ( 0.684 1.836 0.500) 2.022 4.145 ( -1.129 1.836 -1.780) 2.795 4.270 ( -6.321 0.867 -1.058) 6.467 4.369 ( -2.001 2.489 2.144) 3.847 4.655 ( 1.199 0.939 -7.947) 8.092 4.868 ( 2.333 10.445 -17.168) 20.230 5.126 ( 1.207 -1.555 0.670) 2.080 5.226 ( -0.593 -0.068 -4.740) 4.778 5.465 ( -2.794 -4.983 9.379) 10.982 5.685 ( 1.549 0.585 3.201) 3.604 6.076 ( -0.347 6.449 5.356) 8.390 6.301 ( -0.083 1.207 -6.207) 6.324 6.573 ( -0.580 -2.833 3.088) 4.231 6.735 ( -4.148 -4.951 -3.309) 7.258 7.015 ( -0.222 -5.520 0.460) 5.543 7.078 ( -1.422 -6.680 2.327) 7.216 7.236 ( -1.475 2.191 7.847) 8.280 7.256 ( -0.344 -0.037 -5.819) 5.829 7.336 ( -2.001 7.987 -0.933) 8.287 7.577 ( 4.179 1.411 -1.180) 4.566 7.623 ( -2.523 -2.665 1.977) 4.168 7.725 ( -3.518 2.295 -4.299) 6.010 7.805 ( 0.865 3.278 -11.992) 12.462 7.938 ( 0.401 0.460 -6.939) 6.966 8.619 ( -6.039 -4.612 9.351) 12.049 8.810 ( 5.044 -7.641 6.792) 11.400 8.993 ( 3.526 1.369 1.156) 3.956 9.197 ( 3.338 -1.093 -6.716) 7.579 9.310 ( -1.312 -0.791 2.313) 2.775 9.489 ( 3.211 -1.694 -4.842) 6.052 10.485 ( -0.340 -2.551 8.255) 8.647 10.735 ( -0.202 -7.203 0.591) 7.230 11.023 ( -0.479 5.482 10.246) 11.630 11.758 ( 1.632 -4.986 -18.795) 19.514 12.588 ( -0.885 -2.963 5.982) 6.733 12.835 ( 0.147 -2.767 -4.138) 4.980 13.078 ( -0.682 5.850 7.257) 9.346 13.155 ( -0.430 6.811 2.431) 7.245 13.588 ( -0.503 -2.984 -1.415) 3.341 13.851 ( 0.817 -10.957 -10.399) 15.128 14.072 ( -2.726 -3.440 0.912) 4.483 14.255 ( 4.747 -0.879 -5.321) 7.185 14.399 ( 1.567 4.020 3.125) 5.328 14.602 ( -5.951 -3.542 -10.937) 12.946 15.309 ( 0.132 -1.388 6.536) 6.683 15.456 ( -0.022 -1.929 -1.344) 2.351 16.155 ( 2.525 0.972 10.403) 10.749 16.319 ( -0.780 1.652 0.209) 1.839 16.372 ( -2.832 -0.509 11.909) 12.252 16.818 ( 1.894 -0.471 -6.910) 7.180 24.467 ( 0.256 -0.601 0.599) 0.886 24.501 ( 0.143 0.088 -1.237) 1.249 24.643 ( 0.147 1.029 0.675) 1.239 24.659 ( -0.209 0.269 -0.335) 0.478 26.059 ( -2.532 -3.606 0.758) 4.471 26.136 ( 1.350 -2.059 0.258) 2.476 26.216 ( -2.275 1.130 2.900) 3.855 26.375 ( -0.460 0.996 -0.392) 1.165 26.671 ( -0.681 -2.020 5.989) 6.357 26.938 ( -0.439 9.459 0.259) 9.472 26.988 ( 0.447 -6.201 -5.746) 8.465 27.409 ( 1.469 3.148 -18.021) 18.353 28.780 ( -0.861 -1.755 6.803) 7.078 28.996 ( -0.370 -1.947 -4.994) 5.373 29.287 ( 0.193 0.406 15.813) 15.819 29.654 ( 1.514 -2.298 -3.384) 4.362 ======================= Grid point 99 (50/80) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -10.624 4.327 20.172) 23.206 1.165 ( -6.338 13.070 15.588) 21.307 1.567 ( -0.205 6.600 -6.247) 9.090 1.599 ( 4.553 3.865 -7.797) 9.822 1.739 ( 7.312 9.461 4.377) 12.733 1.758 ( -1.907 5.554 1.447) 6.048 1.866 ( 1.374 6.906 7.325) 10.161 1.971 ( 4.741 4.261 6.796) 9.317 2.020 ( 0.760 2.248 2.938) 3.777 2.144 ( 1.905 4.511 1.365) 5.083 2.201 ( -2.296 -2.540 4.282) 5.483 2.476 ( 3.320 2.501 6.512) 7.725 2.519 ( 3.910 0.566 -1.732) 4.313 2.696 ( -0.363 6.142 6.417) 8.890 2.795 ( -2.998 -1.221 -2.964) 4.389 2.965 ( -2.630 0.629 -5.829) 6.426 3.040 ( -3.948 2.725 -2.575) 5.445 3.096 ( 2.414 -1.983 -2.889) 4.255 3.113 ( -0.427 -0.558 -1.720) 1.858 3.172 ( -5.899 -0.680 -4.501) 7.451 3.210 ( -1.763 -0.015 -0.455) 1.821 3.260 ( -1.944 1.089 6.975) 7.323 3.447 ( -1.168 -1.559 -2.991) 3.569 3.492 ( -2.658 5.975 0.364) 6.550 3.559 ( 2.986 0.590 -0.132) 3.047 3.624 ( 1.809 -2.830 0.398) 3.382 3.690 ( 1.611 4.050 0.814) 4.434 3.768 ( 0.837 1.327 -1.110) 1.922 3.810 ( -0.607 2.664 -2.208) 3.513 3.844 ( 1.553 4.714 2.052) 5.371 4.065 ( 0.069 1.896 -0.846) 2.077 4.120 ( -3.218 1.952 -0.791) 3.846 4.162 ( -1.032 5.325 3.007) 6.202 4.346 ( -0.288 4.186 2.209) 4.742 4.658 ( 0.751 1.172 -9.576) 9.677 4.870 ( 0.104 7.860 -16.774) 18.524 5.106 ( -3.763 -0.908 -1.204) 4.054 5.179 ( -2.297 -0.198 -7.033) 7.401 5.454 ( 1.035 -3.402 9.354) 10.007 5.709 ( -0.071 0.079 3.628) 3.630 6.081 ( -0.045 5.985 5.425) 8.078 6.291 ( 0.299 0.887 -6.532) 6.599 6.555 ( -0.514 -2.688 1.040) 2.928 6.620 ( -5.766 -1.637 -2.667) 6.561 6.982 ( -3.940 -6.018 1.684) 7.387 7.051 ( -0.051 -6.270 -3.408) 7.136 7.180 ( -4.285 -1.383 7.390) 8.654 7.238 ( -0.130 4.478 3.559) 5.721 7.322 ( -0.035 6.170 0.854) 6.229 7.551 ( -3.223 1.591 -2.031) 4.128 7.645 ( 0.913 0.945 0.004) 1.314 7.686 ( 1.302 2.138 -0.203) 2.511 7.805 ( 1.049 2.422 -12.190) 12.472 7.925 ( -0.448 0.477 -5.839) 5.875 8.535 ( -3.370 -2.825 9.883) 10.817 8.863 ( 0.113 -5.106 -3.541) 6.215 9.103 ( 5.403 -3.186 1.580) 6.468 9.225 ( -0.100 -2.072 -4.591) 5.038 9.358 ( 4.551 0.118 4.354) 6.300 9.588 ( 6.260 -7.298 -1.992) 9.819 10.496 ( -0.126 -3.351 8.681) 9.306 10.743 ( 0.815 -7.521 0.167) 7.567 11.034 ( -0.257 6.079 10.413) 12.061 11.761 ( 1.720 -5.063 -18.685) 19.435 12.572 ( -1.470 -3.449 5.441) 6.608 12.822 ( -0.509 -2.141 -5.015) 5.477 13.083 ( -0.104 5.670 7.999) 9.805 13.161 ( 0.756 8.324 2.001) 8.594 13.557 ( -2.308 -2.588 -0.551) 3.511 13.856 ( 1.359 -11.561 -10.990) 16.009 14.033 ( -0.872 -2.231 0.771) 2.516 14.330 ( -10.186 -2.281 -5.986) 12.033 14.347 ( 5.071 2.688 -5.183) 7.734 14.443 ( -4.664 0.672 0.256) 4.719 15.325 ( 0.103 -1.134 6.728) 6.823 15.472 ( 1.433 -1.812 -0.895) 2.477 16.208 ( -0.448 -0.037 9.510) 9.521 16.341 ( 2.062 2.752 -1.088) 3.607 16.392 ( 4.052 -4.585 13.831) 15.124 16.842 ( 1.253 -0.295 -6.344) 6.473 24.475 ( 0.359 -0.668 0.638) 0.991 24.507 ( 0.594 0.275 -1.195) 1.362 24.645 ( -0.009 1.137 0.464) 1.228 24.654 ( -0.182 0.399 -0.203) 0.483 26.014 ( -1.439 -2.136 1.599) 3.031 26.153 ( -1.842 2.589 3.156) 4.478 26.175 ( 0.255 -2.308 -0.599) 2.399 26.346 ( -2.218 0.219 -0.122) 2.232 26.670 ( -0.230 -1.980 5.364) 5.723 26.930 ( -0.445 9.023 1.355) 9.135 26.975 ( -0.716 -5.842 -6.908) 9.075 27.345 ( -4.145 5.210 -15.800) 17.146 28.731 ( -3.838 -0.324 6.396) 7.466 28.972 ( -0.744 -1.727 -5.788) 6.086 29.402 ( 6.654 -4.187 15.066) 16.993 29.696 ( 2.497 -2.514 -2.180) 4.160 ======================= Grid point 100 (51/80) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 1.796 10.624 13.176) 17.021 1.439 ( 1.538 14.595 11.379) 18.570 1.646 ( 0.617 5.980 -6.220) 8.650 1.774 ( 0.776 6.066 -3.850) 7.226 1.807 ( -0.095 3.288 4.582) 5.640 1.976 ( 2.530 -0.027 -1.534) 2.959 2.011 ( 0.930 3.527 1.567) 3.970 2.079 ( -1.151 7.068 -1.329) 7.283 2.129 ( 0.232 0.185 1.231) 1.267 2.289 ( 1.996 5.308 0.733) 5.718 2.318 ( 5.104 10.419 5.948) 13.038 2.563 ( -1.005 2.198 -2.447) 3.440 2.596 ( -0.622 4.341 10.040) 10.956 2.802 ( -0.453 4.812 5.081) 7.013 2.828 ( 2.026 1.551 2.801) 3.789 2.947 ( -7.156 -0.200 -2.047) 7.446 2.994 ( 0.765 -0.209 -1.940) 2.095 3.053 ( -0.775 -1.511 -1.400) 2.201 3.068 ( -3.224 2.083 -4.735) 6.095 3.172 ( -2.114 0.864 -2.905) 3.695 3.244 ( -1.060 6.112 6.639) 9.085 3.301 ( 0.688 5.359 1.477) 5.601 3.359 ( 0.666 -1.264 0.484) 1.508 3.519 ( -3.205 0.582 -4.075) 5.217 3.566 ( -3.261 1.574 -1.928) 4.102 3.614 ( 0.644 1.998 1.784) 2.755 3.718 ( -0.312 5.178 -0.517) 5.213 3.774 ( 1.562 -0.063 1.478) 2.151 3.826 ( -0.190 1.151 5.579) 5.700 3.983 ( -1.414 0.783 -1.841) 2.450 4.112 ( 1.577 0.982 -1.453) 2.359 4.166 ( 1.155 4.342 -4.329) 6.239 4.313 ( -0.720 10.880 0.700) 10.926 4.517 ( 0.483 8.551 -1.493) 8.693 4.703 ( -0.568 7.939 -1.800) 8.161 4.940 ( 0.832 6.096 0.728) 6.196 5.149 ( 1.489 4.513 -8.554) 9.786 5.209 ( 0.633 5.268 -8.060) 9.650 5.445 ( 0.996 -1.602 5.679) 5.984 5.617 ( -1.888 -7.030 2.016) 7.553 6.216 ( 0.219 6.735 0.457) 6.754 6.322 ( 1.013 1.662 -3.255) 3.792 6.511 ( -2.081 -1.309 0.479) 2.504 6.561 ( 5.848 -4.648 -2.352) 7.832 6.787 ( -3.664 -5.194 1.334) 6.495 6.919 ( 0.464 -6.315 -2.579) 6.837 7.129 ( -2.575 2.109 10.923) 11.419 7.298 ( 0.830 0.096 2.827) 2.948 7.380 ( 1.099 -0.566 -5.735) 5.867 7.622 ( 0.101 -1.320 4.301) 4.501 7.643 ( -0.792 6.678 6.025) 9.029 7.728 ( 1.557 0.385 -5.137) 5.382 7.895 ( 0.829 2.309 -9.884) 10.183 7.951 ( 1.434 4.748 -9.462) 10.683 8.455 ( -1.401 -1.929 9.784) 10.070 8.729 ( -0.334 -8.241 0.225) 8.251 9.065 ( -0.479 -5.279 2.640) 5.921 9.176 ( -0.304 -1.437 -4.246) 4.493 9.391 ( 0.943 -3.548 0.402) 3.693 9.482 ( 0.337 -7.492 -4.172) 8.582 10.402 ( -1.123 -4.900 8.732) 10.076 10.581 ( 0.192 -9.596 4.150) 10.456 11.169 ( -0.493 7.079 2.040) 7.384 11.648 ( 1.478 -6.372 -15.672) 16.983 12.507 ( -0.100 -2.347 6.170) 6.602 12.729 ( -0.879 -5.306 -0.902) 5.454 13.150 ( -0.267 0.455 6.830) 6.850 13.393 ( 0.964 10.262 -0.577) 10.323 13.543 ( 0.263 4.603 -5.314) 7.035 13.628 ( 1.782 -11.853 -11.271) 16.454 14.027 ( 1.007 -1.385 1.117) 2.044 14.085 ( -3.374 -2.910 -1.594) 4.732 14.377 ( -4.299 1.652 2.084) 5.055 14.503 ( 4.960 1.974 -4.974) 7.296 15.301 ( -0.691 -1.816 5.738) 6.059 15.437 ( 0.404 -3.819 -0.813) 3.926 16.206 ( -1.874 1.399 9.857) 10.131 16.362 ( 1.366 -5.222 13.405) 14.451 16.448 ( 0.989 4.138 -0.191) 4.259 16.804 ( -0.540 -3.000 -6.467) 7.149 24.469 ( -0.111 -0.198 0.905) 0.933 24.517 ( 0.331 -0.375 -1.347) 1.437 24.662 ( -0.067 0.704 0.009) 0.707 24.668 ( -0.078 1.037 -0.227) 1.065 26.000 ( 0.974 -1.143 2.120) 2.598 26.092 ( -1.191 -2.045 -2.161) 3.204 26.235 ( 2.539 1.063 3.322) 4.314 26.292 ( -1.778 0.055 1.818) 2.544 26.663 ( 0.030 0.080 4.904) 4.905 26.835 ( -1.098 -4.148 2.289) 4.863 27.130 ( 1.097 9.750 -8.750) 13.146 27.381 ( -0.544 5.144 -12.964) 13.958 28.708 ( -1.081 1.783 5.767) 6.132 28.916 ( 0.305 -2.574 -4.431) 5.133 29.412 ( 0.690 -2.962 11.640) 12.031 29.636 ( -0.182 -5.342 -1.140) 5.465 ======================= Grid point 101 (52/80) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 4.007 11.686 11.249) 16.708 1.531 ( 5.775 14.096 7.868) 17.145 1.658 ( 2.615 4.019 -3.229) 5.781 1.813 ( 2.665 5.425 -2.832) 6.675 1.832 ( 0.778 4.424 0.891) 4.580 1.920 ( -7.509 1.691 4.298) 8.815 2.055 ( 2.967 5.676 -3.580) 7.337 2.085 ( -0.935 1.855 1.238) 2.418 2.120 ( 2.269 2.064 -3.129) 4.382 2.284 ( -2.321 4.749 1.605) 5.524 2.396 ( -0.681 3.940 8.986) 9.835 2.498 ( -4.515 4.254 -0.556) 6.228 2.580 ( -3.538 9.785 8.630) 13.518 2.713 ( -7.899 5.033 -0.822) 9.402 2.806 ( 0.026 2.190 -6.121) 6.502 2.875 ( -0.808 0.867 4.660) 4.809 3.011 ( -0.588 -3.512 -1.753) 3.969 3.035 ( 0.075 -1.028 2.986) 3.159 3.050 ( 3.028 -0.895 -4.017) 5.109 3.141 ( 0.728 -0.288 -2.758) 2.866 3.220 ( -0.497 0.842 5.381) 5.470 3.307 ( -1.413 0.946 0.760) 1.862 3.394 ( -1.782 3.550 1.434) 4.223 3.436 ( -1.351 3.309 -1.294) 3.801 3.520 ( 0.390 -0.689 -0.037) 0.793 3.616 ( -1.308 1.801 0.863) 2.388 3.748 ( 2.865 6.902 -0.432) 7.485 3.810 ( 0.210 3.372 2.692) 4.319 3.885 ( 4.219 0.860 4.141) 5.974 3.943 ( 0.399 3.673 -2.731) 4.594 4.100 ( -2.719 3.687 -3.871) 5.997 4.213 ( 3.736 2.158 -1.474) 4.559 4.337 ( 2.244 6.600 3.770) 7.925 4.520 ( 0.237 6.947 -4.164) 8.103 4.697 ( -0.200 10.057 1.726) 10.206 5.009 ( 4.863 6.306 -1.652) 8.133 5.131 ( -0.694 9.935 -13.207) 16.541 5.230 ( 1.449 1.478 -3.042) 3.679 5.451 ( -1.206 -2.265 6.249) 6.755 5.587 ( -0.910 -6.742 1.065) 6.885 6.222 ( 0.226 7.117 -0.018) 7.121 6.339 ( 0.861 1.576 -2.279) 2.901 6.497 ( 0.426 -1.737 0.940) 2.020 6.661 ( 1.172 -9.468 -4.419) 10.514 6.784 ( 4.951 -4.976 1.133) 7.110 6.935 ( 1.199 -6.059 0.016) 6.176 7.116 ( -0.055 2.441 10.278) 10.564 7.317 ( 0.430 0.145 2.019) 2.069 7.406 ( 2.411 -0.343 -7.152) 7.555 7.623 ( -1.889 -1.842 7.985) 8.410 7.629 ( -0.432 7.755 2.148) 8.059 7.758 ( 1.987 -0.799 -5.942) 6.316 7.907 ( 1.997 1.528 -10.416) 10.715 7.955 ( 0.341 5.699 -9.666) 11.226 8.458 ( 0.255 -2.326 10.568) 10.824 8.714 ( -1.541 -8.597 2.141) 8.992 9.025 ( -3.316 -4.040 2.535) 5.809 9.159 ( -0.480 -1.426 -5.064) 5.282 9.376 ( -2.007 -3.279 -0.490) 3.876 9.459 ( -1.440 -5.902 -4.828) 7.760 10.401 ( -0.294 -4.456 8.447) 9.555 10.590 ( -0.116 -9.296 4.372) 10.274 11.153 ( -1.175 7.146 2.305) 7.600 11.648 ( 1.137 -6.318 -15.743) 17.002 12.524 ( 0.441 -2.420 6.789) 7.221 12.721 ( 0.271 -5.607 -0.558) 5.641 13.155 ( -0.386 0.311 6.221) 6.241 13.378 ( -1.740 10.981 0.578) 11.133 13.564 ( 1.912 2.337 -6.697) 7.346 13.642 ( 1.228 -9.827 -11.735) 15.356 14.000 ( 0.146 -3.007 0.577) 3.065 14.116 ( 1.335 -4.978 -0.501) 5.178 14.324 ( 0.349 4.840 1.263) 5.014 14.596 ( 4.182 0.576 -4.058) 5.856 15.288 ( -1.362 -1.907 5.706) 6.169 15.433 ( -0.594 -4.039 -1.138) 4.238 16.182 ( -1.944 2.174 9.637) 10.069 16.386 ( -1.301 -5.011 12.077) 13.140 16.454 ( -0.525 3.613 0.461) 3.680 16.778 ( -0.550 -2.492 -7.072) 7.518 24.465 ( -0.428 -0.094 0.789) 0.902 24.514 ( -0.296 -0.297 -1.374) 1.437 24.661 ( -0.104 0.830 0.081) 0.840 24.666 ( -0.032 0.729 -0.090) 0.735 26.013 ( 0.436 -2.088 0.524) 2.197 26.076 ( -0.917 -3.185 -0.432) 3.342 26.265 ( 0.345 0.568 3.344) 3.409 26.317 ( 2.969 0.841 1.559) 3.457 26.668 ( -0.497 -0.087 4.891) 4.917 26.832 ( 0.552 -4.315 1.623) 4.643 27.138 ( 0.901 9.790 -8.357) 12.904 27.383 ( 2.778 5.131 -12.474) 13.771 28.713 ( 0.513 1.716 6.299) 6.549 28.926 ( 1.204 -2.753 -4.086) 5.072 29.406 ( -3.042 -2.319 10.177) 10.872 29.614 ( -1.420 -4.891 -1.314) 5.260 ======================= Grid point 102 (53/80) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 1.563 9.876 10.637) 14.599 1.657 ( -10.260 0.526 7.376) 12.647 1.702 ( 7.152 11.188 6.019) 14.579 1.740 ( 2.351 6.928 -3.690) 8.194 1.827 ( -1.827 5.377 2.619) 6.254 1.902 ( -0.495 4.698 -5.007) 6.884 1.969 ( -3.242 6.788 0.949) 7.582 2.128 ( 0.951 6.057 2.712) 6.704 2.176 ( -0.852 4.712 0.261) 4.795 2.238 ( -0.844 7.688 2.688) 8.188 2.306 ( -5.585 -1.032 5.666) 8.022 2.441 ( -0.918 4.066 1.600) 4.465 2.457 ( -8.838 10.281 0.373) 13.563 2.640 ( 3.141 1.527 1.707) 3.888 2.852 ( 3.387 -0.821 -4.642) 5.805 2.897 ( 1.738 -0.839 -1.529) 2.462 2.983 ( 0.192 -0.719 -4.668) 4.727 3.017 ( -0.508 -3.801 0.493) 3.866 3.134 ( 1.586 -1.068 1.755) 2.595 3.194 ( 2.076 -6.482 -1.793) 7.038 3.219 ( 0.052 -1.043 -0.426) 1.128 3.304 ( 4.532 2.922 3.525) 6.443 3.350 ( -4.163 2.098 2.485) 5.283 3.415 ( 1.718 0.923 1.421) 2.413 3.558 ( 1.394 3.413 0.018) 3.687 3.597 ( -0.410 1.627 1.049) 1.979 3.769 ( -2.333 4.251 -1.079) 4.968 3.811 ( 2.447 5.256 -2.144) 6.182 3.968 ( 2.350 7.602 2.398) 8.310 4.004 ( 2.534 5.631 1.210) 6.293 4.050 ( 0.046 3.394 -1.467) 3.697 4.241 ( -1.033 2.748 -2.617) 3.933 4.380 ( 0.530 5.625 2.935) 6.367 4.503 ( -1.452 6.942 -2.365) 7.476 4.703 ( 0.603 8.504 1.921) 8.740 5.090 ( 2.650 8.411 -5.831) 10.572 5.110 ( 0.993 7.085 -7.938) 10.686 5.235 ( -0.450 0.108 -2.211) 2.259 5.424 ( -2.430 -3.045 7.122) 8.118 5.594 ( 1.420 -5.706 0.161) 5.882 6.224 ( -0.091 7.789 0.748) 7.825 6.343 ( -0.015 1.691 -3.065) 3.501 6.510 ( 0.067 -3.297 2.109) 3.915 6.653 ( -0.112 -7.218 -2.166) 7.537 6.879 ( 2.520 -7.070 0.330) 7.512 6.959 ( 0.720 -5.526 2.342) 6.045 7.164 ( 2.662 0.346 7.491) 7.957 7.316 ( -0.765 0.142 0.900) 1.190 7.448 ( 2.741 -0.977 -9.471) 9.908 7.578 ( -3.384 0.407 8.124) 8.810 7.626 ( -0.376 4.913 2.679) 5.608 7.778 ( 0.833 -0.312 -7.471) 7.524 7.930 ( 0.737 4.702 -10.704) 11.715 7.937 ( 0.604 1.544 -9.162) 9.311 8.505 ( 2.216 -4.004 10.843) 11.769 8.664 ( -3.704 -8.013 7.362) 11.495 8.978 ( -0.658 -1.035 -0.308) 1.264 9.146 ( 0.318 -1.569 -6.112) 6.318 9.324 ( -2.609 -2.602 -0.660) 3.743 9.430 ( -0.148 -3.949 -6.622) 7.711 10.414 ( -0.025 -3.646 8.263) 9.032 10.588 ( -0.807 -8.533 4.670) 9.761 11.138 ( -0.514 6.845 2.657) 7.360 11.643 ( 1.008 -6.438 -15.979) 17.256 12.538 ( -0.349 -2.539 7.017) 7.471 12.735 ( 0.959 -5.897 0.416) 5.989 13.154 ( -0.641 0.819 5.384) 5.483 13.346 ( -1.369 11.234 1.882) 11.473 13.582 ( 1.029 0.049 -7.537) 7.607 13.637 ( 0.268 -8.149 -10.853) 13.574 14.034 ( 0.800 -4.335 0.878) 4.494 14.104 ( 0.512 -6.058 -3.169) 6.856 14.397 ( 4.796 4.211 1.778) 6.625 14.636 ( -0.138 -0.629 -4.525) 4.571 15.272 ( -0.858 -1.805 5.575) 5.922 15.414 ( -0.855 -3.723 -1.241) 4.016 16.167 ( -0.953 2.571 9.822) 10.198 16.357 ( -3.008 -2.738 11.204) 11.919 16.433 ( -1.310 3.683 0.752) 3.981 16.770 ( 1.037 -2.300 -7.104) 7.539 24.458 ( -0.236 -0.057 0.708) 0.748 24.504 ( -0.356 -0.292 -1.374) 1.449 24.660 ( 0.097 1.002 0.164) 1.020 24.666 ( 0.002 0.390 -0.046) 0.393 26.028 ( 0.226 -2.830 0.244) 2.850 26.048 ( -0.645 -3.225 -0.512) 3.329 26.274 ( -0.574 1.334 4.639) 4.861 26.368 ( 1.443 -0.417 1.689) 2.260 26.661 ( -0.826 0.126 5.541) 5.604 26.853 ( 1.098 -5.332 -0.191) 5.447 27.137 ( 0.370 9.747 -7.371) 12.226 27.436 ( 3.861 3.392 -14.519) 15.402 28.742 ( 1.011 0.692 6.630) 6.743 28.944 ( 0.963 -3.129 -3.702) 4.942 29.342 ( -4.056 0.488 10.359) 11.135 29.588 ( -0.615 -4.120 -1.832) 4.551 ======================= Grid point 103 (54/80) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -5.566 5.068 13.970) 15.869 1.469 ( -4.982 6.057 9.078) 11.996 1.697 ( -2.798 7.878 -5.779) 10.163 1.774 ( -3.312 7.789 -1.148) 8.541 1.838 ( -1.004 8.034 1.987) 8.337 1.894 ( 6.990 4.474 4.403) 9.395 1.971 ( -1.695 8.084 0.603) 8.282 2.077 ( -2.502 6.441 13.659) 15.308 2.136 ( -3.731 6.222 -2.936) 7.827 2.208 ( -2.637 4.069 5.283) 7.171 2.244 ( -0.478 6.398 0.429) 6.430 2.438 ( 6.404 5.073 -2.487) 8.540 2.459 ( 2.149 3.910 3.947) 5.957 2.719 ( 3.025 0.050 1.847) 3.544 2.853 ( -3.092 -2.008 -2.819) 4.641 2.956 ( 5.199 0.209 -3.659) 6.361 3.004 ( 1.513 -0.138 -9.771) 9.889 3.032 ( 1.250 -3.916 0.480) 4.138 3.121 ( -1.273 -0.462 2.318) 2.684 3.191 ( 0.285 -4.813 -1.558) 5.066 3.284 ( 1.789 0.339 2.993) 3.503 3.319 ( 1.075 -0.025 2.857) 3.053 3.376 ( 1.102 0.206 -2.981) 3.185 3.462 ( 2.071 1.400 4.313) 4.985 3.561 ( -0.351 0.424 -0.202) 0.586 3.631 ( 2.793 4.879 -0.238) 5.627 3.733 ( -0.270 1.582 -1.568) 2.244 3.830 ( 0.315 3.446 -3.121) 4.660 3.957 ( -4.607 4.715 -1.871) 6.852 4.002 ( 0.198 11.450 1.494) 11.549 4.111 ( 2.321 2.957 0.540) 3.798 4.185 ( -2.875 2.989 -2.721) 4.960 4.362 ( -1.932 9.252 0.998) 9.504 4.467 ( -1.205 8.206 2.842) 8.768 4.724 ( 0.952 6.670 -0.834) 6.790 5.089 ( -1.512 8.218 -6.151) 10.376 5.129 ( 0.855 3.137 -4.803) 5.800 5.219 ( -0.590 -0.316 -2.729) 2.810 5.388 ( -1.435 -2.039 5.955) 6.456 5.629 ( 1.383 -5.603 1.090) 5.873 6.222 ( -0.286 7.875 1.374) 7.999 6.331 ( -0.481 1.579 -4.231) 4.542 6.501 ( -1.105 -3.954 2.479) 4.796 6.641 ( -1.406 -4.710 -1.423) 5.118 6.897 ( -0.240 -6.544 0.572) 6.574 6.959 ( -1.277 -5.245 1.374) 5.570 7.205 ( -0.395 -0.648 6.440) 6.485 7.296 ( -1.112 0.118 0.677) 1.308 7.445 ( -2.266 -0.460 -8.158) 8.479 7.558 ( 1.059 -3.256 8.278) 8.958 7.626 ( 0.028 6.564 2.873) 7.166 7.761 ( -1.208 1.295 -7.041) 7.261 7.909 ( 0.112 5.952 -10.946) 12.460 7.943 ( 0.471 -0.327 -8.430) 8.449 8.519 ( -2.930 -4.537 9.518) 10.944 8.662 ( 2.647 -7.167 8.810) 11.661 8.995 ( 1.905 -1.058 -1.148) 2.463 9.162 ( 2.156 -2.211 -5.979) 6.729 9.290 ( 0.015 -1.736 -0.460) 1.796 9.433 ( 1.459 -3.939 -6.681) 7.892 10.421 ( -0.687 -3.525 8.330) 9.072 10.578 ( -0.804 -8.362 4.696) 9.624 11.143 ( 0.490 6.736 2.751) 7.293 11.640 ( 1.292 -6.566 -16.051) 17.390 12.531 ( -1.330 -2.640 6.544) 7.180 12.753 ( 0.451 -5.797 0.739) 5.861 13.149 ( -0.710 1.277 5.407) 5.601 13.333 ( -0.093 10.909 2.117) 11.112 13.585 ( 0.506 0.859 -7.569) 7.634 13.622 ( 0.100 -9.132 -10.179) 13.676 14.004 ( -1.886 -3.831 0.808) 4.346 14.168 ( 4.290 -6.957 -4.445) 9.304 14.470 ( 1.425 2.650 2.067) 3.650 14.564 ( -5.788 -0.102 -5.419) 7.930 15.278 ( 0.377 -1.613 5.609) 5.848 15.405 ( 0.298 -3.241 -0.874) 3.370 16.182 ( 0.787 1.744 10.488) 10.661 16.316 ( -2.574 -1.335 11.817) 12.168 16.416 ( -0.274 4.374 0.167) 4.386 16.790 ( 1.761 -2.564 -6.588) 7.285 24.459 ( 0.177 -0.132 0.776) 0.807 24.499 ( 0.172 -0.309 -1.288) 1.335 24.664 ( 0.089 0.865 0.063) 0.872 24.666 ( 0.084 0.598 -0.077) 0.608 26.000 ( -1.619 -2.241 0.668) 2.844 26.077 ( 2.257 -3.282 -0.970) 4.099 26.250 ( -2.486 1.915 4.608) 5.575 26.375 ( -1.008 -0.988 2.291) 2.691 26.656 ( -0.612 0.287 5.740) 5.779 26.866 ( 0.123 -5.608 -0.441) 5.627 27.130 ( 0.234 9.736 -7.276) 12.157 27.466 ( 1.249 2.185 -16.244) 16.437 28.759 ( -0.751 -0.161 6.025) 6.074 28.945 ( -0.263 -3.154 -3.886) 5.012 29.308 ( -0.614 1.889 12.280) 12.439 29.591 ( 1.236 -3.985 -1.909) 4.589 ======================= Grid point 104 (55/80) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -7.346 7.138 15.928) 18.937 1.433 ( -2.262 11.947 11.731) 16.896 1.651 ( -0.461 5.324 -8.431) 9.982 1.745 ( 1.100 7.410 -0.968) 7.554 1.867 ( -3.460 4.874 -0.329) 5.986 1.903 ( 3.628 6.422 -0.576) 7.399 1.991 ( 0.869 0.574 2.609) 2.809 2.073 ( 1.035 10.595 5.398) 11.935 2.107 ( -0.150 2.682 6.412) 6.952 2.211 ( 2.045 8.187 6.197) 10.470 2.262 ( 2.036 4.743 -1.659) 5.421 2.538 ( 3.201 3.468 6.717) 8.209 2.564 ( 4.443 4.886 -0.428) 6.618 2.771 ( 1.566 0.724 4.824) 5.123 2.786 ( -0.844 0.259 -1.521) 1.759 2.991 ( 0.031 1.587 -6.000) 6.206 3.031 ( -0.360 -3.231 0.639) 3.313 3.057 ( 2.302 -0.287 -3.129) 3.896 3.137 ( -0.954 0.727 -1.462) 1.891 3.176 ( 0.364 -0.917 -3.191) 3.340 3.259 ( -1.976 6.597 -6.135) 9.223 3.305 ( -2.104 2.207 8.139) 8.692 3.402 ( -1.878 -2.231 1.814) 3.434 3.530 ( 4.945 -0.792 1.194) 5.148 3.557 ( -0.067 -0.380 -2.258) 2.291 3.627 ( -1.801 1.524 1.498) 2.795 3.757 ( 0.718 -0.102 -2.778) 2.871 3.816 ( -6.900 8.484 -1.797) 11.082 3.842 ( -0.646 0.939 1.090) 1.577 3.992 ( -0.581 7.792 1.271) 7.916 4.116 ( -0.938 0.947 -2.121) 2.505 4.148 ( -0.050 2.777 -1.762) 3.289 4.333 ( -0.821 12.059 -1.238) 12.150 4.488 ( 2.051 9.977 3.446) 10.753 4.725 ( -0.495 6.146 -4.061) 7.383 5.001 ( -5.699 4.617 -1.156) 7.425 5.128 ( 0.746 0.935 -4.719) 4.868 5.214 ( 0.661 4.395 -7.169) 8.435 5.402 ( 1.643 -0.397 4.762) 5.053 5.641 ( -0.528 -6.493 2.102) 6.845 6.216 ( -0.372 7.301 1.164) 7.403 6.317 ( 0.019 1.675 -4.331) 4.644 6.493 ( 0.706 -3.121 1.137) 3.396 6.582 ( -3.815 -2.648 -0.813) 4.715 6.867 ( -3.363 -6.029 0.688) 6.938 6.926 ( -0.912 -5.635 -2.388) 6.187 7.174 ( -3.244 0.926 9.238) 9.834 7.284 ( -0.101 0.126 2.404) 2.410 7.389 ( -1.279 -0.780 -5.001) 5.221 7.603 ( 1.334 -3.863 4.776) 6.286 7.637 ( 0.289 7.351 5.009) 8.900 7.726 ( -0.630 2.213 -5.701) 6.148 7.901 ( 0.546 4.629 -10.658) 11.633 7.939 ( 0.887 1.444 -8.423) 8.591 8.477 ( -2.321 -2.489 9.238) 9.845 8.721 ( 1.222 -8.576 3.781) 9.452 9.039 ( 2.189 -3.157 0.730) 3.910 9.183 ( 0.433 -1.999 -4.324) 4.783 9.336 ( 3.720 -2.747 0.169) 4.627 9.461 ( 2.048 -5.786 -5.444) 8.205 10.414 ( -1.321 -4.332 8.606) 9.725 10.574 ( -0.276 -8.996 4.375) 10.007 11.162 ( 0.703 6.888 2.408) 7.331 11.642 ( 1.542 -6.529 -15.876) 17.236 12.512 ( -1.310 -2.538 6.015) 6.659 12.750 ( -0.768 -5.473 -0.115) 5.528 13.146 ( -0.452 1.043 6.331) 6.433 13.354 ( 1.850 10.496 1.047) 10.709 13.569 ( -1.032 4.152 -6.203) 7.535 13.615 ( 1.089 -11.935 -10.708) 16.072 13.991 ( 0.709 -2.370 0.538) 2.531 14.196 ( -2.806 -7.449 -3.494) 8.693 14.446 ( -2.515 3.138 -3.346) 5.232 14.462 ( -1.729 2.150 0.147) 2.763 15.296 ( 0.233 -1.683 5.636) 5.887 15.421 ( 1.127 -3.387 -0.601) 3.619 16.215 ( -0.104 0.746 10.060) 10.088 16.310 ( 0.481 -2.499 13.700) 13.935 16.424 ( 1.054 4.640 -0.384) 4.773 16.810 ( 1.015 -2.941 -6.218) 6.953 24.466 ( 0.267 -0.212 0.894) 0.957 24.507 ( 0.689 -0.354 -1.255) 1.475 24.663 ( -0.033 0.684 -0.100) 0.692 24.669 ( 0.070 1.010 -0.109) 1.018 25.982 ( -0.060 -1.022 1.311) 1.663 26.114 ( 0.744 -3.513 -1.845) 4.038 26.206 ( -1.367 2.627 4.167) 5.113 26.340 ( -2.633 -0.882 2.417) 3.681 26.656 ( -0.257 0.321 5.469) 5.485 26.857 ( -1.009 -5.073 0.830) 5.239 27.126 ( 0.638 9.715 -8.048) 12.632 27.433 ( -1.511 3.305 -15.452) 15.873 28.734 ( -2.154 0.781 5.531) 5.987 28.927 ( -0.548 -2.781 -4.302) 5.152 29.354 ( 2.347 -0.457 12.967) 13.186 29.622 ( 1.598 -4.751 -1.382) 5.200 ======================= Grid point 105 (56/80) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 3.708 10.662 8.018) 13.846 1.584 ( 2.982 0.799 3.331) 4.542 1.798 ( 2.144 5.981 -3.597) 7.301 1.850 ( -1.720 1.681 2.079) 3.179 1.899 ( -0.486 5.421 3.953) 6.727 1.978 ( -1.140 -0.192 5.902) 6.014 2.063 ( 2.179 4.155 2.829) 5.479 2.167 ( 3.672 4.470 -4.010) 7.039 2.220 ( -3.583 5.584 -2.087) 6.955 2.361 ( 2.026 2.779 -4.140) 5.382 2.439 ( 0.393 2.018 1.631) 2.625 2.609 ( 0.550 -0.367 0.341) 0.744 2.671 ( 0.410 3.472 6.898) 7.733 2.783 ( 1.360 -1.737 3.932) 4.509 2.893 ( -1.291 1.797 -1.572) 2.714 2.937 ( -0.913 -0.722 1.108) 1.607 2.948 ( -4.358 -2.326 -3.020) 5.789 3.021 ( -0.422 -0.508 0.264) 0.712 3.114 ( -2.495 1.137 -1.964) 3.373 3.183 ( -1.372 -0.139 -2.752) 3.079 3.304 ( -0.078 1.138 2.268) 2.539 3.396 ( 0.636 3.244 2.648) 4.235 3.474 ( 0.682 8.164 3.101) 8.760 3.518 ( -4.008 2.968 -5.386) 7.341 3.577 ( 0.731 0.321 2.518) 2.642 3.677 ( 3.455 2.507 1.603) 4.560 3.762 ( -1.819 -0.379 2.451) 3.076 3.769 ( 0.929 -0.088 2.172) 2.364 3.925 ( -2.779 4.859 2.570) 6.159 3.976 ( -4.698 0.258 1.839) 5.052 4.098 ( 1.733 -0.744 -3.802) 4.245 4.210 ( 1.108 -0.115 -4.414) 4.552 4.567 ( -1.121 12.924 -2.861) 13.284 4.659 ( -0.169 6.540 -3.873) 7.603 4.943 ( 1.928 13.390 3.470) 13.966 5.052 ( 1.642 4.869 1.384) 5.322 5.186 ( 3.538 0.856 -3.365) 4.957 5.244 ( 0.726 -2.778 1.648) 3.311 5.465 ( -1.067 -4.406 1.255) 4.703 5.495 ( -1.317 2.232 -3.853) 4.644 6.314 ( 0.530 3.043 -2.894) 4.232 6.365 ( 0.085 2.515 -4.285) 4.970 6.461 ( 1.121 -4.421 -0.973) 4.664 6.488 ( -0.148 -2.182 -0.863) 2.351 6.717 ( -2.148 -1.005 1.763) 2.955 6.821 ( 0.002 -3.957 -1.561) 4.254 7.192 ( -1.211 3.963 8.641) 9.583 7.281 ( 0.129 -0.522 5.242) 5.270 7.335 ( 1.280 -3.192 -3.637) 5.005 7.508 ( -0.182 -7.391 9.588) 12.107 7.746 ( 0.676 2.114 -5.384) 5.824 7.834 ( 0.025 7.971 -1.224) 8.065 7.892 ( 0.538 -1.080 -7.391) 7.489 8.032 ( 1.766 1.894 -7.219) 7.670 8.449 ( -1.109 1.213 8.401) 8.560 8.571 ( -1.097 -6.738 7.021) 9.793 8.993 ( -0.361 -1.535 -2.676) 3.106 9.135 ( 0.047 -3.852 -5.822) 6.982 9.302 ( 0.878 -3.852 -1.851) 4.363 9.367 ( 0.362 -4.467 -5.773) 7.308 10.334 ( -0.986 -1.869 7.877) 8.155 10.419 ( -0.222 -6.565 5.809) 8.769 11.306 ( 0.241 6.887 -3.442) 7.703 11.533 ( 1.264 -5.393 -12.058) 13.269 12.477 ( -0.362 -0.427 7.014) 7.036 12.607 ( -1.049 -6.594 4.340) 7.963 13.171 ( 0.015 2.446 -0.773) 2.565 13.395 ( 0.706 -8.881 -7.383) 11.571 13.589 ( 1.553 7.036 -3.533) 8.025 13.649 ( 0.648 4.559 -5.102) 6.873 13.993 ( 0.486 -1.910 0.323) 1.997 14.020 ( -1.955 -3.451 -1.098) 4.116 14.428 ( -2.025 3.426 1.595) 4.287 14.523 ( 2.785 -0.113 -3.480) 4.459 15.273 ( -0.649 -0.629 3.978) 4.080 15.356 ( 0.027 -4.187 0.071) 4.188 16.235 ( -1.247 1.489 10.804) 10.977 16.295 ( 0.012 -2.160 13.840) 14.008 16.536 ( 0.584 4.887 -2.351) 5.455 16.729 ( -0.197 -4.557 -5.689) 7.292 24.473 ( 0.005 0.481 0.668) 0.823 24.504 ( 0.292 -0.865 -0.760) 1.188 24.676 ( -0.079 0.625 -0.201) 0.661 24.683 ( -0.092 0.418 -0.481) 0.644 25.990 ( 0.252 0.135 1.272) 1.304 26.045 ( -0.856 -2.445 -1.403) 2.946 26.256 ( 0.947 1.057 3.869) 4.121 26.289 ( -0.445 -0.434 2.687) 2.758 26.679 ( -0.356 1.491 5.792) 5.991 26.768 ( -0.823 -2.925 5.209) 6.031 27.297 ( 1.364 7.243 -13.131) 15.058 27.438 ( 0.547 0.586 -14.934) 14.955 28.751 ( -0.540 2.565 3.468) 4.347 28.862 ( 0.104 -2.953 -1.988) 3.561 29.401 ( 0.007 1.331 8.440) 8.544 29.534 ( -0.286 -4.936 1.201) 5.088 ======================= Grid point 106 (57/80) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 4.608 11.418 7.818) 14.585 1.678 ( 5.189 2.160 2.436) 6.126 1.739 ( -2.894 2.811 1.012) 4.159 1.892 ( -7.060 -4.421 8.322) 11.775 1.919 ( 4.074 4.117 0.840) 5.853 1.930 ( 1.913 4.514 -3.592) 6.078 2.147 ( -0.722 4.133 -2.264) 4.768 2.164 ( 7.038 8.615 2.206) 11.341 2.203 ( -1.727 3.928 -2.178) 4.812 2.375 ( -0.023 4.321 -0.598) 4.362 2.447 ( -1.825 2.509 5.391) 6.220 2.564 ( -3.583 -0.589 -1.976) 4.134 2.664 ( -3.526 1.042 2.431) 4.408 2.779 ( -2.319 0.171 -0.095) 2.327 2.834 ( 0.292 1.327 -1.083) 1.738 2.905 ( 1.782 -6.397 -3.099) 7.328 2.918 ( -4.678 3.331 5.681) 8.078 2.986 ( -2.974 -2.626 5.535) 6.810 3.067 ( -1.141 2.096 -4.750) 5.316 3.136 ( -1.870 -0.858 -1.878) 2.786 3.293 ( -3.256 6.298 2.211) 7.426 3.345 ( 0.602 3.234 -0.249) 3.299 3.452 ( -2.632 0.281 -3.613) 4.479 3.490 ( -7.607 4.203 4.675) 9.869 3.550 ( 4.075 0.801 1.449) 4.398 3.667 ( -1.652 4.096 -1.053) 4.540 3.738 ( -0.210 -4.933 -4.036) 6.377 3.887 ( -0.735 -3.310 -1.181) 3.591 3.918 ( 7.641 5.738 5.948) 11.255 4.000 ( 6.069 5.656 2.424) 8.643 4.128 ( 1.165 -0.338 -1.665) 2.060 4.252 ( 2.818 -0.526 -0.353) 2.888 4.549 ( -0.050 13.306 -0.816) 13.331 4.654 ( 0.163 6.933 -4.574) 8.308 4.974 ( 0.027 15.139 4.893) 15.910 5.103 ( 2.335 3.278 1.096) 4.171 5.239 ( 1.292 0.166 -2.788) 3.078 5.251 ( 0.173 -0.766 -1.718) 1.889 5.448 ( -0.087 -4.527 0.040) 4.528 5.464 ( -1.013 2.311 -2.335) 3.437 6.329 ( 1.370 3.149 -3.541) 4.932 6.367 ( 0.657 1.612 -3.245) 3.682 6.459 ( -0.537 -2.491 0.632) 2.626 6.509 ( 1.195 -5.649 -2.636) 6.347 6.721 ( 2.187 -0.630 3.032) 3.791 6.835 ( 1.322 -4.335 0.190) 4.536 7.192 ( -0.259 4.960 9.746) 10.939 7.290 ( -0.134 -1.639 4.150) 4.464 7.361 ( 1.758 -3.349 -5.627) 6.780 7.515 ( -0.898 -7.087 9.666) 12.019 7.757 ( 1.185 1.815 -5.741) 6.137 7.827 ( -0.417 8.266 -1.677) 8.444 7.896 ( 1.205 -1.615 -8.650) 8.881 8.039 ( 0.035 1.522 -7.475) 7.629 8.448 ( -0.214 1.140 9.034) 9.108 8.556 ( -1.624 -6.390 7.610) 10.069 8.971 ( -1.117 -1.017 -2.906) 3.275 9.118 ( -0.593 -3.847 -6.213) 7.332 9.295 ( -1.057 -3.579 -1.801) 4.144 9.359 ( -0.086 -4.116 -6.055) 7.323 10.340 ( 0.229 -1.641 7.773) 7.948 10.431 ( 0.247 -6.592 5.980) 8.904 11.295 ( -0.656 7.212 -3.431) 8.014 11.533 ( 0.685 -5.555 -12.190) 13.413 12.488 ( 0.136 -0.861 7.536) 7.586 12.600 ( -0.259 -6.252 4.454) 7.681 13.172 ( 0.223 2.294 -0.830) 2.450 13.397 ( 0.667 -9.047 -7.207) 11.586 13.590 ( -0.344 8.398 -3.333) 9.042 13.684 ( 2.463 4.588 -6.865) 8.617 13.943 ( -1.854 -2.566 0.049) 3.166 14.014 ( -1.200 -5.257 -0.403) 5.408 14.426 ( 1.706 5.489 1.368) 5.908 14.586 ( 3.077 -1.736 -2.817) 4.518 15.260 ( -1.091 -0.505 4.056) 4.230 15.350 ( -0.574 -4.263 0.015) 4.302 16.225 ( -1.425 2.179 10.712) 11.024 16.311 ( -0.819 -2.803 13.566) 13.877 16.535 ( -0.328 4.556 -2.372) 5.147 16.713 ( -0.220 -4.053 -6.015) 7.257 24.470 ( -0.322 0.588 0.511) 0.843 24.503 ( -0.237 -0.818 -0.899) 1.238 24.673 ( -0.089 0.551 -0.097) 0.566 24.679 ( -0.184 0.403 -0.311) 0.541 25.987 ( -0.301 -0.545 0.651) 0.901 26.022 ( -1.222 -2.247 -0.406) 2.590 26.279 ( 0.846 0.883 3.642) 3.842 26.317 ( 1.874 -0.635 2.764) 3.399 26.680 ( -0.532 1.314 5.713) 5.887 26.764 ( -0.310 -2.855 5.068) 5.825 27.304 ( 1.384 7.195 -13.219) 15.114 27.441 ( 2.151 0.702 -14.694) 14.868 28.754 ( 0.285 2.534 3.737) 4.524 28.868 ( 0.718 -3.104 -1.822) 3.670 29.398 ( -1.555 1.269 7.789) 8.043 29.521 ( -0.972 -4.510 1.139) 4.752 ======================= Grid point 107 (58/80) ======================= q-point: ( 0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -3.078 8.525 11.489) 14.633 1.647 ( -9.027 -0.768 10.008) 13.500 1.790 ( 5.226 1.193 0.405) 5.375 1.846 ( 4.898 0.009 1.339) 5.077 1.941 ( -3.545 5.141 1.761) 6.489 1.982 ( 2.021 4.122 -4.102) 6.157 2.069 ( -7.149 4.210 1.834) 8.497 2.180 ( 2.693 0.808 -3.482) 4.475 2.322 ( 2.522 4.272 1.859) 5.298 2.342 ( -4.583 7.979 7.051) 11.592 2.412 ( 4.512 8.800 4.515) 10.872 2.530 ( -0.627 4.906 1.675) 5.221 2.585 ( -4.886 0.825 -0.100) 4.956 2.712 ( -2.801 5.890 -0.039) 6.522 2.804 ( -4.054 -2.318 2.808) 5.449 2.887 ( 2.073 -3.779 -1.865) 4.696 2.913 ( 2.163 -2.712 0.079) 3.470 3.007 ( 1.196 -1.010 -0.686) 1.709 3.046 ( 2.042 -3.437 -5.662) 6.931 3.117 ( -0.735 -2.019 -1.402) 2.565 3.234 ( -1.831 1.942 -0.777) 2.780 3.346 ( -1.682 -1.297 -0.805) 2.272 3.392 ( -0.530 3.514 -2.083) 4.119 3.448 ( 1.682 3.290 4.942) 6.170 3.629 ( -0.482 2.074 -1.052) 2.375 3.634 ( 2.457 3.107 -3.442) 5.248 3.737 ( 0.970 -4.234 -5.519) 7.023 3.849 ( -1.287 -2.566 -4.781) 5.576 4.080 ( 2.225 7.448 3.697) 8.608 4.100 ( 4.649 3.819 4.355) 7.427 4.156 ( 2.416 3.229 0.214) 4.038 4.284 ( -0.604 0.071 1.459) 1.581 4.564 ( 1.452 12.113 -0.302) 12.203 4.647 ( -0.193 7.311 -3.131) 7.955 4.962 ( -1.808 15.736 6.168) 16.999 5.131 ( 0.200 0.203 2.558) 2.574 5.212 ( -2.609 -2.949 4.382) 5.891 5.254 ( -0.773 0.535 -5.185) 5.269 5.426 ( -0.290 3.422 -4.403) 5.583 5.493 ( 2.566 -2.662 -1.312) 3.923 6.347 ( 0.587 3.504 -2.732) 4.481 6.373 ( 0.424 1.869 -4.187) 4.604 6.446 ( -0.707 -2.524 2.320) 3.500 6.535 ( 1.639 -4.859 -1.846) 5.450 6.776 ( 1.746 -2.563 3.436) 4.629 6.864 ( 1.010 -4.374 1.851) 4.856 7.213 ( 0.584 3.998 8.724) 9.614 7.286 ( -0.852 -1.775 4.349) 4.774 7.382 ( 1.226 -4.487 -7.346) 8.695 7.495 ( -2.503 -6.017 9.119) 11.208 7.768 ( 0.537 2.770 -4.976) 5.720 7.818 ( 0.139 7.390 -3.171) 8.043 7.908 ( 1.181 -2.669 -9.078) 9.536 8.015 ( -0.844 1.354 -7.627) 7.792 8.469 ( 0.403 0.088 9.212) 9.221 8.535 ( -1.362 -4.608 8.755) 9.987 8.953 ( 0.269 -0.527 -3.839) 3.884 9.098 ( -0.045 -4.181 -6.971) 8.129 9.267 ( -1.097 -1.925 -1.876) 2.903 9.349 ( 0.253 -3.965 -6.352) 7.492 10.360 ( 0.268 -1.543 7.739) 7.896 10.441 ( -0.334 -6.057 6.139) 8.630 11.277 ( -0.283 7.226 -3.205) 7.910 11.524 ( 0.544 -5.829 -12.462) 13.769 12.500 ( -0.367 -0.976 7.688) 7.758 12.610 ( 0.305 -6.370 5.133) 8.186 13.176 ( 0.253 2.305 -1.129) 2.579 13.398 ( 0.511 -8.972 -7.111) 11.460 13.574 ( -0.749 10.171 -2.535) 10.509 13.700 ( 0.551 5.197 -7.522) 9.160 13.946 ( 0.849 -4.509 -0.499) 4.615 13.975 ( -0.839 -6.876 -1.688) 7.130 14.480 ( 2.612 4.403 2.026) 5.506 14.615 ( -0.129 -1.747 -2.312) 2.900 15.250 ( -0.453 -0.208 3.975) 4.006 15.338 ( -0.470 -3.937 -0.043) 3.965 16.216 ( -1.099 2.487 10.767) 11.105 16.306 ( -1.770 -2.366 13.114) 13.443 16.520 ( -0.505 4.947 -2.555) 5.591 16.708 ( 0.732 -4.081 -6.022) 7.311 24.464 ( -0.264 0.586 0.395) 0.754 24.494 ( -0.341 -0.703 -0.974) 1.249 24.673 ( 0.087 0.419 -0.048) 0.430 24.676 ( -0.021 0.434 -0.156) 0.462 25.988 ( -0.246 -1.272 0.363) 1.346 26.000 ( -0.183 -1.765 -0.339) 1.807 26.297 ( -0.090 1.119 4.401) 4.542 26.348 ( 0.525 -1.389 2.974) 3.324 26.677 ( -0.608 1.476 5.887) 6.100 26.771 ( 0.093 -3.351 4.342) 5.485 27.306 ( 0.959 7.489 -12.808) 14.867 27.467 ( 2.489 -0.325 -15.484) 15.686 28.769 ( 0.371 2.053 3.919) 4.440 28.880 ( 0.569 -3.341 -1.644) 3.767 29.372 ( -1.922 2.432 7.627) 8.233 29.506 ( -0.474 -4.144 0.919) 4.271 ======================= Grid point 108 (59/80) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -6.517 5.006 13.594) 15.885 1.540 ( -2.027 0.679 9.811) 10.041 1.819 ( -5.127 4.135 0.628) 6.616 1.876 ( 0.181 0.205 0.477) 0.550 1.922 ( 1.061 4.707 -2.493) 5.431 1.980 ( -0.044 2.989 6.670) 7.309 2.023 ( 2.841 0.768 -0.831) 3.058 2.164 ( -4.660 2.065 4.607) 6.870 2.294 ( -0.197 4.149 -1.389) 4.380 2.324 ( -3.478 10.617 2.080) 11.364 2.421 ( -2.627 12.111 3.512) 12.880 2.553 ( 3.957 3.080 -0.391) 5.030 2.582 ( 3.210 7.033 4.118) 8.759 2.708 ( 1.508 -0.975 4.305) 4.664 2.783 ( 0.276 -3.156 0.341) 3.186 2.921 ( 2.173 -6.492 3.716) 7.789 3.001 ( 1.164 1.644 -3.491) 4.031 3.013 ( 5.132 1.205 -9.845) 11.168 3.098 ( 2.722 -4.386 -4.625) 6.931 3.113 ( 0.878 -0.068 -0.703) 1.127 3.253 ( 3.020 -1.605 2.996) 4.546 3.296 ( -1.374 -1.532 -2.888) 3.546 3.417 ( 1.156 1.240 0.494) 1.766 3.492 ( 1.412 0.267 4.202) 4.440 3.585 ( -0.991 3.374 -6.915) 7.758 3.710 ( 2.687 2.836 -3.054) 4.958 3.738 ( -0.144 -0.256 -3.724) 3.735 3.828 ( 0.868 -2.875 -6.478) 7.140 4.055 ( -3.590 5.908 3.728) 7.854 4.157 ( -0.223 2.985 0.610) 3.055 4.189 ( -2.335 5.044 2.781) 6.216 4.241 ( -1.577 1.647 0.416) 2.318 4.592 ( 0.845 12.211 -1.767) 12.367 4.642 ( 0.468 8.140 0.328) 8.161 4.933 ( -1.783 13.762 5.274) 14.846 5.130 ( -0.778 -0.159 2.729) 2.842 5.156 ( -4.419 -3.825 3.613) 6.871 5.210 ( -1.085 -0.763 -0.198) 1.342 5.437 ( 1.726 3.964 -5.187) 6.753 5.531 ( 1.115 -2.347 -1.906) 3.222 6.337 ( -0.867 2.452 -2.420) 3.553 6.376 ( 0.491 3.586 -4.839) 6.043 6.440 ( -0.459 -1.780 2.710) 3.274 6.552 ( -0.100 -4.385 -1.554) 4.654 6.792 ( -0.534 -3.119 2.938) 4.318 6.870 ( -0.867 -4.127 1.297) 4.412 7.228 ( -0.551 2.156 4.688) 5.190 7.276 ( -0.935 -0.424 7.098) 7.172 7.372 ( -1.366 -5.023 -6.460) 8.296 7.470 ( -0.643 -5.644 9.529) 11.094 7.763 ( -0.154 3.191 -4.609) 5.608 7.820 ( 0.474 7.227 -2.796) 7.763 7.910 ( 0.430 -3.044 -8.474) 9.014 7.992 ( 0.125 1.777 -7.519) 7.727 8.473 ( -1.274 -0.214 8.324) 8.424 8.548 ( 0.833 -4.240 9.264) 10.223 8.968 ( 1.547 -0.813 -4.122) 4.477 9.103 ( 1.718 -4.603 -7.137) 8.664 9.253 ( 0.220 -0.829 -1.923) 2.105 9.351 ( 0.909 -4.187 -6.290) 7.610 10.367 ( -0.959 -1.707 7.780) 8.022 10.436 ( -1.073 -5.723 6.091) 8.426 11.278 ( 0.832 6.967 -3.053) 7.652 11.519 ( 1.047 -5.851 -12.503) 13.844 12.496 ( -1.169 -0.644 7.261) 7.382 12.623 ( -0.057 -6.799 5.467) 8.725 13.177 ( 0.028 2.470 -1.281) 2.782 13.395 ( 0.467 -8.737 -7.176) 11.316 13.555 ( -0.480 9.884 -2.127) 10.122 13.694 ( -0.037 5.154 -7.053) 8.736 13.925 ( -0.558 -4.049 -0.008) 4.087 14.021 ( 3.258 -7.584 -3.103) 8.818 14.513 ( -0.127 2.235 2.462) 3.328 14.572 ( -3.241 0.167 -2.447) 4.065 15.257 ( 0.425 -0.231 3.878) 3.908 15.336 ( 0.344 -3.605 -0.015) 3.621 16.219 ( -0.357 2.011 11.105) 11.291 16.289 ( -1.920 -1.470 12.860) 13.085 16.513 ( 0.330 5.463 -2.590) 6.055 16.720 ( 1.270 -4.535 -5.737) 7.422 24.463 ( 0.095 0.479 0.483) 0.687 24.490 ( 0.111 -0.655 -0.870) 1.094 24.675 ( 0.075 0.466 -0.118) 0.486 24.679 ( 0.272 0.419 -0.235) 0.552 25.975 ( -0.446 -0.373 0.439) 0.728 26.020 ( 1.600 -2.483 -0.734) 3.044 26.283 ( -1.832 1.584 4.576) 5.178 26.346 ( -1.207 -1.755 3.324) 3.948 26.676 ( -0.502 1.684 5.989) 6.241 26.778 ( -0.189 -3.642 4.122) 5.504 27.301 ( 0.670 7.693 -12.563) 14.746 27.479 ( 1.126 -1.059 -16.124) 16.198 28.775 ( -0.519 1.733 3.723) 4.139 28.881 ( -0.204 -3.312 -1.719) 3.737 29.359 ( -0.496 3.214 8.229) 8.848 29.509 ( 0.586 -4.301 0.853) 4.424 ======================= Grid point 109 (60/80) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -2.945 8.400 11.795) 14.777 1.545 ( 0.339 -0.292 7.312) 7.326 1.762 ( 0.258 4.766 -4.335) 6.448 1.853 ( -0.506 0.702 3.192) 3.307 1.942 ( -0.913 7.916 0.635) 7.994 2.000 ( 1.252 1.460 4.150) 4.574 2.043 ( -5.620 2.720 6.733) 9.182 2.097 ( 3.480 1.814 -0.045) 3.925 2.267 ( -0.690 5.489 -4.773) 7.307 2.324 ( 1.432 4.270 -1.083) 4.632 2.415 ( 1.608 8.488 2.958) 9.132 2.611 ( -1.148 2.025 3.535) 4.233 2.639 ( 2.688 3.171 3.288) 5.300 2.746 ( 1.303 -2.601 2.080) 3.576 2.819 ( 4.139 3.848 3.045) 6.420 2.961 ( 0.992 -3.787 3.172) 5.039 3.013 ( -0.801 -0.313 -9.026) 9.067 3.045 ( -0.604 -1.341 -1.041) 1.801 3.139 ( 0.708 -0.687 -3.305) 3.449 3.165 ( 3.764 1.060 -2.382) 4.579 3.284 ( 1.224 -0.555 -2.616) 2.941 3.333 ( 3.037 -1.209 1.777) 3.720 3.445 ( 1.837 4.538 3.173) 5.834 3.531 ( 2.312 -0.998 3.047) 3.953 3.581 ( 2.033 2.379 -2.843) 4.228 3.647 ( -5.413 2.968 -2.195) 6.552 3.766 ( 0.587 1.121 -3.442) 3.667 3.834 ( -2.043 -1.268 0.412) 2.440 3.987 ( -2.622 5.928 3.296) 7.272 4.080 ( -5.539 1.258 1.011) 5.770 4.119 ( -3.119 2.536 -3.052) 5.047 4.222 ( -1.244 2.375 -1.119) 2.905 4.588 ( -0.327 12.333 -3.810) 12.912 4.664 ( 0.692 6.988 -0.597) 7.048 4.916 ( -0.247 12.097 3.206) 12.517 5.060 ( -3.285 1.136 3.469) 4.910 5.137 ( 1.174 0.715 -0.422) 1.438 5.220 ( 1.068 -2.700 2.510) 3.838 5.463 ( 1.197 1.124 -2.899) 3.332 5.528 ( -0.980 -1.471 -2.125) 2.764 6.317 ( -0.425 2.685 -2.717) 3.844 6.373 ( 0.080 3.670 -5.105) 6.288 6.438 ( 0.281 -2.400 1.279) 2.734 6.523 ( -2.142 -3.184 -1.042) 3.976 6.768 ( -2.274 -2.900 1.618) 4.025 6.840 ( -1.536 -3.575 -0.978) 4.012 7.210 ( -1.595 2.201 5.378) 6.026 7.273 ( -0.503 0.336 7.404) 7.428 7.333 ( -0.813 -3.766 -3.288) 5.065 7.490 ( 0.496 -6.866 8.660) 11.063 7.750 ( -0.156 2.554 -4.975) 5.594 7.829 ( 0.586 8.214 -1.028) 8.299 7.899 ( 0.019 -2.410 -7.805) 8.169 8.002 ( 1.935 2.082 -7.241) 7.779 8.460 ( -1.254 0.786 7.932) 8.069 8.573 ( -0.108 -5.942 8.066) 10.018 8.990 ( 1.052 -1.231 -3.534) 3.887 9.130 ( 1.510 -4.584 -6.288) 7.926 9.272 ( 1.821 -1.976 -1.915) 3.299 9.362 ( 1.039 -4.478 -5.950) 7.519 10.350 ( -1.728 -1.901 7.864) 8.272 10.423 ( -1.053 -6.059 5.889) 8.514 11.296 ( 1.195 6.758 -3.187) 7.567 11.524 ( 1.464 -5.581 -12.259) 13.548 12.482 ( -1.196 -0.303 6.835) 6.946 12.621 ( -0.923 -6.960 4.977) 8.606 13.174 ( -0.108 2.563 -1.053) 2.773 13.394 ( 0.599 -8.691 -7.364) 11.406 13.558 ( 1.249 8.313 -2.522) 8.777 13.670 ( -1.074 4.424 -5.719) 7.310 13.946 ( 2.344 -1.863 -0.195) 3.000 14.058 ( 0.176 -6.606 -2.153) 6.950 14.480 ( -2.951 1.830 2.088) 4.052 14.513 ( -1.341 1.561 -3.006) 3.643 15.271 ( 0.163 -0.492 3.847) 3.882 15.348 ( 0.662 -3.803 0.094) 3.862 16.234 ( -0.290 1.168 11.090) 11.155 16.279 ( -0.953 -1.109 13.376) 13.456 16.523 ( 0.924 5.428 -2.487) 6.041 16.733 ( 0.775 -4.814 -5.532) 7.374 24.468 ( 0.266 0.416 0.647) 0.814 24.495 ( 0.520 -0.750 -0.738) 1.174 24.676 ( 0.076 0.596 -0.217) 0.639 24.683 ( 0.140 0.411 -0.422) 0.605 25.977 ( 0.506 0.449 0.748) 1.009 26.049 ( 0.952 -3.075 -1.233) 3.447 26.251 ( -1.455 2.035 4.180) 4.872 26.316 ( -2.076 -1.452 3.325) 4.181 26.677 ( -0.390 1.703 5.958) 6.209 26.776 ( -0.671 -3.410 4.602) 5.767 27.295 ( 0.868 7.549 -12.721) 14.817 27.461 ( -0.039 -0.506 -15.833) 15.841 28.763 ( -1.086 2.105 3.443) 4.179 28.870 ( -0.446 -3.065 -1.924) 3.646 29.377 ( 0.647 2.497 8.685) 9.060 29.526 ( 0.724 -4.806 1.074) 4.977 ======================= Grid point 110 (61/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 4.222 -7.318 4.518) 9.581 1.513 ( 4.222 7.318 4.518) 9.581 1.858 ( 1.709 -1.296 -3.578) 4.171 1.858 ( 1.709 1.296 -3.578) 4.171 1.953 ( -4.037 -1.505 9.675) 10.590 1.953 ( -4.037 1.505 9.675) 10.590 2.182 ( 3.432 -4.836 -0.819) 5.987 2.182 ( 3.432 4.836 -0.819) 5.987 2.334 ( 0.886 -6.268 -2.166) 6.690 2.334 ( 0.886 6.268 -2.166) 6.690 2.513 ( -1.105 -6.418 -1.384) 6.658 2.513 ( -1.105 6.418 -1.384) 6.658 2.743 ( -0.261 -3.746 2.076) 4.291 2.743 ( -0.261 3.746 2.076) 4.291 2.913 ( -4.734 -1.147 -2.007) 5.268 2.913 ( -4.734 1.147 -2.007) 5.268 2.976 ( 1.940 -2.934 4.606) 5.795 2.976 ( 1.940 2.934 4.606) 5.795 3.153 ( -1.699 -2.470 -3.589) 4.677 3.153 ( -1.699 2.470 -3.589) 4.677 3.363 ( 1.781 -3.632 2.220) 4.614 3.363 ( 1.781 3.632 2.220) 4.614 3.559 ( -1.088 -1.077 -3.107) 3.464 3.559 ( -1.088 1.077 -3.107) 3.464 3.657 ( 0.504 -5.348 2.820) 6.067 3.657 ( 0.504 5.348 2.820) 6.067 3.766 ( 0.575 -0.601 2.478) 2.614 3.766 ( 0.575 0.601 2.478) 2.614 3.955 ( -4.320 -2.835 4.661) 6.959 3.955 ( -4.320 2.835 4.661) 6.959 4.162 ( 0.366 -4.651 -4.980) 6.824 4.162 ( 0.366 4.651 -4.980) 6.824 4.728 ( 0.029 -1.808 -3.676) 4.096 4.728 ( 0.029 1.808 -3.676) 4.096 5.088 ( 2.771 -1.847 0.927) 3.457 5.088 ( 2.771 1.847 0.927) 3.457 5.198 ( 1.593 -0.974 0.985) 2.111 5.198 ( 1.593 0.974 0.985) 2.111 5.474 ( -1.384 -4.848 0.220) 5.047 5.474 ( -1.384 4.848 0.220) 5.047 6.367 ( 0.496 -2.685 -4.429) 5.203 6.367 ( 0.496 2.685 -4.429) 5.203 6.433 ( -0.457 -2.410 -1.275) 2.765 6.433 ( -0.457 2.410 -1.275) 2.765 6.752 ( -0.688 -3.356 0.601) 3.478 6.752 ( -0.688 3.356 0.601) 3.478 7.255 ( 0.608 -2.953 -0.505) 3.056 7.255 ( 0.608 2.953 -0.505) 3.056 7.361 ( -0.502 -6.747 10.722) 12.679 7.361 ( -0.502 6.747 10.722) 12.679 7.808 ( 0.633 -4.032 -7.964) 8.949 7.808 ( 0.633 4.032 -7.964) 8.949 7.996 ( 0.649 -5.367 -1.414) 5.588 7.996 ( 0.649 5.367 -1.414) 5.588 8.487 ( -1.099 -2.579 7.995) 8.473 8.487 ( -1.099 2.579 7.995) 8.473 9.028 ( 0.195 -5.074 -6.613) 8.338 9.028 ( 0.195 5.074 -6.613) 8.338 9.297 ( 0.411 -2.497 -3.654) 4.445 9.297 ( 0.411 2.497 -3.654) 4.445 10.335 ( -0.632 -2.119 6.636) 6.995 10.335 ( -0.632 2.119 6.636) 6.995 11.429 ( 0.851 -5.698 -7.931) 9.802 11.429 ( 0.851 5.698 -7.931) 9.802 12.504 ( -0.760 -3.473 6.629) 7.522 12.504 ( -0.760 3.473 6.629) 7.522 13.251 ( 0.384 -5.781 -5.519) 8.002 13.251 ( 0.384 5.781 -5.519) 8.002 13.683 ( 1.086 -1.723 -3.994) 4.483 13.683 ( 1.086 1.723 -3.994) 4.483 13.974 ( -0.654 -0.633 -0.374) 0.984 13.974 ( -0.654 0.633 -0.374) 0.984 14.494 ( 0.426 -2.860 -0.491) 2.933 14.494 ( 0.426 2.860 -0.491) 2.933 15.289 ( -0.354 -2.374 1.711) 2.948 15.289 ( -0.354 2.374 1.711) 2.948 16.263 ( -0.726 -1.423 12.338) 12.441 16.263 ( -0.726 1.423 12.338) 12.441 16.634 ( 0.193 -5.122 -4.215) 6.636 16.634 ( 0.193 5.122 -4.215) 6.636 24.486 ( 0.160 -0.866 0.021) 0.881 24.486 ( 0.160 0.866 0.021) 0.881 24.684 ( -0.085 -0.205 -0.435) 0.489 24.684 ( -0.085 0.205 -0.435) 0.489 26.006 ( -0.317 -1.496 0.055) 1.531 26.006 ( -0.317 1.496 0.055) 1.531 26.275 ( 0.171 -0.927 3.299) 3.431 26.275 ( 0.171 0.927 3.299) 3.431 26.717 ( -0.623 -2.346 6.276) 6.729 26.717 ( -0.623 2.346 6.276) 6.729 27.405 ( 1.177 -3.815 -15.151) 15.668 27.405 ( 1.177 3.815 -15.151) 15.668 28.804 ( -0.169 -2.927 0.785) 3.036 28.804 ( -0.169 2.927 0.785) 3.036 29.450 ( -0.257 -3.571 4.592) 5.823 29.450 ( -0.257 3.571 4.592) 5.823 ======================= Grid point 112 (62/80) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 6.171 -6.829 3.331) 9.788 1.637 ( 6.171 6.829 3.331) 9.788 1.792 ( -7.007 -4.347 6.787) 10.680 1.792 ( -7.007 4.347 6.787) 10.680 1.968 ( 3.799 -0.613 -2.545) 4.613 1.968 ( 3.799 0.613 -2.545) 4.613 2.211 ( -0.837 -2.333 -1.551) 2.924 2.211 ( -0.837 2.333 -1.551) 2.924 2.364 ( 2.347 -8.083 2.294) 8.723 2.364 ( 2.347 8.083 2.294) 8.723 2.501 ( -1.316 -2.803 0.515) 3.139 2.501 ( -1.316 2.803 0.515) 3.139 2.717 ( -0.673 -4.508 -2.732) 5.314 2.717 ( -0.673 4.508 -2.732) 5.314 2.844 ( -1.390 -0.838 1.244) 2.046 2.844 ( -1.390 0.838 1.244) 2.046 2.961 ( -4.410 -0.891 6.723) 8.090 2.961 ( -4.410 0.891 6.723) 8.090 3.105 ( -1.702 -1.961 -3.552) 4.400 3.105 ( -1.702 1.961 -3.552) 4.400 3.388 ( -2.316 -0.438 0.531) 2.416 3.388 ( -2.316 0.438 0.531) 2.416 3.475 ( -2.792 -4.060 -1.466) 5.141 3.475 ( -2.792 4.060 -1.466) 5.141 3.623 ( -1.142 -6.219 -0.499) 6.343 3.623 ( -1.142 6.219 -0.499) 6.343 3.780 ( -1.052 -6.470 -1.542) 6.734 3.780 ( -1.052 6.470 -1.542) 6.734 4.017 ( 7.728 -4.153 4.740) 9.972 4.017 ( 7.728 4.153 4.740) 9.972 4.189 ( 2.154 -5.421 -0.405) 5.847 4.189 ( 2.154 5.421 -0.405) 5.847 4.724 ( 0.224 -2.350 -3.701) 4.390 4.724 ( 0.224 2.350 -3.701) 4.390 5.127 ( 0.363 -0.808 3.165) 3.286 5.127 ( 0.363 0.808 3.165) 3.286 5.232 ( 1.135 -1.418 -1.556) 2.391 5.232 ( 1.135 1.418 -1.556) 2.391 5.453 ( -0.212 -4.026 -0.153) 4.035 5.453 ( -0.212 4.026 -0.153) 4.035 6.370 ( 0.669 -1.853 -4.265) 4.697 6.370 ( 0.669 1.853 -4.265) 4.697 6.438 ( 0.817 -1.861 -0.653) 2.134 6.438 ( 0.817 1.861 -0.653) 2.134 6.759 ( 1.135 -3.516 1.933) 4.169 6.759 ( 1.135 3.516 1.933) 4.169 7.265 ( 0.260 -2.466 0.082) 2.481 7.265 ( 0.260 2.466 0.082) 2.481 7.372 ( -0.261 -6.397 9.086) 11.116 7.372 ( -0.261 6.397 9.086) 11.116 7.814 ( 1.225 -3.853 -8.298) 9.230 7.814 ( 1.225 3.853 -8.298) 9.230 7.992 ( -0.699 -5.841 -1.953) 6.198 7.992 ( -0.699 5.841 -1.953) 6.198 8.481 ( -0.688 -2.079 8.177) 8.465 8.481 ( -0.688 2.079 8.177) 8.465 9.011 ( -0.553 -5.189 -6.697) 8.491 9.011 ( -0.553 5.189 -6.697) 8.491 9.292 ( -0.240 -2.483 -3.665) 4.433 9.292 ( -0.240 2.483 -3.665) 4.433 10.345 ( 0.367 -2.279 6.710) 7.095 10.345 ( 0.367 2.279 6.710) 7.095 11.424 ( 0.019 -6.017 -8.071) 10.068 11.424 ( 0.019 6.018 -8.071) 10.068 12.506 ( -0.186 -2.966 6.916) 7.528 12.506 ( -0.186 2.966 6.916) 7.528 13.251 ( 0.515 -5.815 -5.447) 7.984 13.251 ( 0.515 5.815 -5.447) 7.984 13.710 ( 2.095 -2.885 -4.955) 6.105 13.710 ( 2.095 2.885 -4.955) 6.105 13.932 ( -2.925 -2.316 -0.021) 3.731 13.932 ( -2.925 2.316 -0.021) 3.731 14.525 ( 2.244 -4.417 -0.275) 4.961 14.525 ( 2.244 4.417 -0.275) 4.961 15.280 ( -0.689 -2.567 1.781) 3.199 15.280 ( -0.689 2.567 1.781) 3.199 16.266 ( -1.029 -2.102 12.271) 12.493 16.266 ( -1.029 2.102 12.271) 12.493 16.626 ( -0.168 -4.744 -4.358) 6.444 16.626 ( -0.168 4.744 -4.358) 6.444 24.485 ( -0.237 -0.914 -0.149) 0.956 24.485 ( -0.237 0.914 -0.149) 0.956 24.681 ( -0.159 -0.167 -0.291) 0.371 24.681 ( -0.159 0.167 -0.291) 0.371 25.991 ( -0.876 -0.905 0.209) 1.277 25.991 ( -0.876 0.905 0.209) 1.277 26.299 ( 1.205 -1.104 3.251) 3.639 26.299 ( 1.205 1.104 3.251) 3.639 26.715 ( -0.554 -2.237 6.241) 6.653 26.715 ( -0.554 2.237 6.241) 6.653 27.411 ( 1.767 -3.701 -15.180) 15.724 27.411 ( 1.767 3.701 -15.180) 15.724 28.808 ( 0.369 -2.976 0.930) 3.139 28.808 ( 0.369 2.976 0.930) 3.139 29.444 ( -0.980 -3.302 4.406) 5.593 29.444 ( -0.980 3.302 4.406) 5.593 ======================= Grid point 114 (63/80) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -7.901 -4.599 11.558) 14.737 1.603 ( -7.901 4.599 11.558) 14.737 1.810 ( 5.727 -1.834 0.814) 6.068 1.810 ( 5.727 1.834 0.814) 6.068 2.006 ( -1.572 -1.274 -0.081) 2.025 2.006 ( -1.572 1.274 -0.081) 2.025 2.154 ( -2.940 -3.473 -3.007) 5.454 2.154 ( -2.940 3.473 -3.007) 5.454 2.410 ( 1.378 -3.219 1.282) 3.728 2.410 ( 1.378 3.219 1.282) 3.728 2.519 ( 4.072 -3.319 7.304) 8.997 2.519 ( 4.072 3.319 7.304) 8.997 2.702 ( -1.974 -5.992 -2.740) 6.879 2.702 ( -1.974 5.992 -2.740) 6.879 2.800 ( -5.572 -1.561 6.179) 8.465 2.800 ( -5.572 1.561 6.179) 8.465 2.925 ( 4.523 -3.050 -2.809) 6.136 2.925 ( 4.523 3.050 -2.809) 6.136 3.078 ( -0.879 -2.310 -3.148) 4.002 3.078 ( -0.879 2.310 -3.148) 4.002 3.290 ( -3.286 -3.583 -1.471) 5.080 3.290 ( -3.286 3.583 -1.471) 5.080 3.460 ( -1.123 -2.553 0.401) 2.818 3.460 ( -1.123 2.553 0.401) 2.818 3.656 ( 4.033 -1.823 -3.895) 5.895 3.656 ( 4.033 1.823 -3.895) 5.895 3.750 ( -1.062 -6.123 -5.630) 8.385 3.750 ( -1.062 6.123 -5.630) 8.385 4.158 ( 4.256 -2.056 3.115) 5.660 4.158 ( 4.256 2.056 3.115) 5.660 4.226 ( 0.731 -5.767 3.510) 6.790 4.226 ( 0.731 5.767 3.510) 6.790 4.727 ( 0.658 -1.797 -3.006) 3.563 4.727 ( 0.657 1.797 -3.006) 3.563 5.121 ( -1.418 -0.756 4.966) 5.219 5.121 ( -1.418 0.756 4.966) 5.219 5.214 ( -2.630 -5.101 1.069) 5.838 5.214 ( -2.630 5.101 1.069) 5.838 5.471 ( 1.796 -2.392 -2.935) 4.191 5.471 ( 1.796 2.392 -2.935) 4.191 6.376 ( 0.316 -1.197 -2.836) 3.094 6.376 ( 0.316 1.197 -2.836) 3.094 6.459 ( 1.290 -3.000 -0.984) 3.410 6.459 ( 1.290 3.000 -0.984) 3.410 6.789 ( 0.937 -3.110 3.268) 4.607 6.789 ( 0.937 3.110 3.268) 4.607 7.269 ( 0.099 -2.131 0.626) 2.224 7.269 ( 0.099 2.131 0.626) 2.224 7.371 ( -1.208 -5.525 7.170) 9.132 7.371 ( -1.208 5.525 7.170) 9.132 7.825 ( 1.069 -3.773 -8.226) 9.113 7.825 ( 1.069 3.773 -8.226) 9.113 7.970 ( -0.799 -5.491 -2.631) 6.141 7.970 ( -0.799 5.491 -2.631) 6.141 8.485 ( -0.304 -1.275 8.359) 8.462 8.485 ( -0.304 1.275 8.359) 8.462 8.994 ( 0.216 -4.860 -7.118) 8.622 8.994 ( 0.216 4.860 -7.118) 8.622 9.281 ( -0.105 -2.773 -3.731) 4.650 9.281 ( -0.105 2.773 -3.731) 4.650 10.363 ( 0.101 -1.996 6.800) 7.088 10.363 ( 0.101 1.996 6.800) 7.088 11.409 ( 0.063 -6.258 -8.165) 10.287 11.409 ( 0.063 6.258 -8.165) 10.287 12.516 ( -0.143 -2.881 7.229) 7.783 12.516 ( -0.143 2.881 7.229) 7.783 13.253 ( 0.560 -5.694 -5.503) 7.939 13.253 ( 0.560 5.694 -5.503) 7.939 13.736 ( 0.768 -4.362 -5.738) 7.248 13.736 ( 0.768 4.362 -5.738) 7.248 13.883 ( -1.088 -0.709 -0.056) 1.300 13.883 ( -1.088 0.709 -0.056) 1.300 14.562 ( 0.921 -3.710 0.385) 3.842 14.562 ( 0.921 3.710 0.385) 3.842 15.272 ( -0.279 -2.520 1.735) 3.072 15.272 ( -0.279 2.520 1.735) 3.072 16.262 ( -1.281 -2.276 12.117) 12.395 16.262 ( -1.281 2.276 12.117) 12.395 16.618 ( 0.192 -5.008 -4.447) 6.700 16.618 ( 0.192 5.008 -4.447) 6.700 24.479 ( -0.295 -0.847 -0.268) 0.936 24.479 ( -0.295 0.847 -0.268) 0.936 24.679 ( 0.027 -0.099 -0.175) 0.203 24.679 ( 0.027 0.099 -0.175) 0.203 25.979 ( -0.214 -0.362 0.103) 0.433 25.979 ( -0.214 0.362 0.103) 0.433 26.320 ( 0.141 -1.379 3.651) 3.906 26.320 ( 0.141 1.379 3.651) 3.906 26.716 ( -0.397 -2.431 6.079) 6.559 26.716 ( -0.397 2.431 6.079) 6.559 27.422 ( 1.628 -4.274 -15.311) 15.979 27.422 ( 1.628 4.274 -15.311) 15.979 28.818 ( 0.316 -2.919 1.057) 3.120 28.818 ( 0.316 2.919 1.057) 3.120 29.431 ( -0.867 -3.547 4.251) 5.604 29.431 ( -0.867 3.547 4.251) 5.604 ======================= Grid point 116 (64/80) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -4.342 -4.725 11.488) 13.158 1.493 ( -4.342 4.725 11.488) 13.158 1.864 ( -2.359 -0.941 3.338) 4.194 1.864 ( -2.359 0.941 3.338) 4.194 1.976 ( 2.515 -1.294 1.308) 3.116 1.976 ( 2.515 1.294 1.308) 3.116 2.111 ( -1.795 -5.539 -2.224) 6.233 2.111 ( -1.795 5.539 -2.224) 6.233 2.423 ( -1.868 -5.945 0.406) 6.245 2.423 ( -1.868 5.945 0.406) 6.245 2.546 ( -2.677 -7.212 3.198) 8.331 2.546 ( -2.677 7.212 3.198) 8.331 2.680 ( 2.739 -3.792 2.529) 5.318 2.680 ( 2.739 3.792 2.529) 5.318 2.799 ( 3.217 -4.607 6.148) 8.328 2.799 ( 3.217 4.607 6.148) 8.328 3.009 ( 2.014 -2.133 -5.730) 6.437 3.009 ( 2.014 2.133 -5.730) 6.437 3.090 ( 4.192 -2.559 -4.239) 6.488 3.090 ( 4.192 2.559 -4.239) 6.488 3.263 ( 0.161 -2.024 -0.114) 2.033 3.263 ( 0.161 2.024 -0.114) 2.033 3.445 ( 0.323 -2.827 0.370) 2.870 3.445 ( 0.323 2.827 0.370) 2.870 3.697 ( -1.178 -5.136 -4.518) 6.941 3.697 ( -1.178 5.136 -4.518) 6.941 3.756 ( 3.940 -2.821 -7.489) 8.920 3.756 ( 3.940 2.821 -7.489) 8.920 4.163 ( -4.187 -3.842 3.954) 6.923 4.163 ( -4.187 3.842 3.954) 6.923 4.239 ( -0.010 -1.930 1.938) 2.735 4.239 ( -0.010 1.930 1.938) 2.735 4.738 ( 0.570 -0.601 -2.196) 2.347 4.738 ( 0.570 0.601 -2.196) 2.347 5.085 ( -2.979 -1.595 5.646) 6.580 5.085 ( -2.979 1.595 5.646) 6.580 5.166 ( -1.311 -4.742 2.179) 5.381 5.166 ( -1.311 4.742 2.179) 5.381 5.497 ( 0.932 -3.389 -2.982) 4.609 5.497 ( 0.932 3.389 -2.982) 4.609 6.372 ( -0.192 -1.953 -2.579) 3.241 6.372 ( -0.192 1.953 -2.579) 3.241 6.475 ( 0.178 -3.504 -1.541) 3.832 6.475 ( 0.178 3.504 -1.541) 3.832 6.798 ( -0.663 -2.936 2.918) 4.192 6.798 ( -0.663 2.936 2.918) 4.192 7.267 ( -0.442 -2.956 -0.994) 3.150 7.267 ( -0.442 2.956 -0.994) 3.150 7.355 ( -1.246 -5.240 8.961) 10.455 7.355 ( -1.246 5.240 8.961) 10.455 7.825 ( 0.277 -3.948 -7.889) 8.826 7.825 ( 0.277 3.948 -7.889) 8.826 7.960 ( 0.359 -4.816 -2.468) 5.423 7.960 ( 0.359 4.816 -2.468) 5.423 8.493 ( -0.359 -1.876 8.276) 8.493 8.493 ( -0.359 1.876 8.276) 8.493 9.001 ( 1.538 -4.414 -7.277) 8.649 9.001 ( 1.538 4.414 -7.277) 8.649 9.279 ( 0.523 -2.977 -3.774) 4.835 9.279 ( 0.523 2.977 -3.774) 4.835 10.365 ( -1.053 -1.664 6.780) 7.060 10.365 ( -1.053 1.664 6.780) 7.060 11.405 ( 0.931 -6.103 -8.081) 10.170 11.405 ( 0.931 6.103 -8.081) 10.170 12.520 ( -0.671 -3.331 7.139) 7.906 12.520 ( -0.671 3.331 7.139) 7.906 13.254 ( 0.449 -5.581 -5.604) 7.922 13.254 ( 0.449 5.581 -5.604) 7.922 13.715 ( -1.433 -4.947 -4.616) 6.916 13.715 ( -1.433 4.947 -4.616) 6.916 13.901 ( 2.476 -3.498 -1.120) 4.430 13.901 ( 2.476 3.498 -1.120) 4.430 14.556 ( -1.542 -1.823 0.602) 2.462 14.556 ( -1.542 1.823 0.602) 2.462 15.276 ( 0.360 -2.238 1.645) 2.801 15.276 ( 0.360 2.238 1.645) 2.801 16.257 ( -1.142 -1.820 12.077) 12.267 16.257 ( -1.142 1.820 12.077) 12.267 16.621 ( 0.772 -5.498 -4.351) 7.054 16.621 ( 0.772 5.498 -4.351) 7.054 24.475 ( 0.067 -0.756 -0.166) 0.777 24.475 ( 0.067 0.756 -0.166) 0.777 24.681 ( 0.204 -0.151 -0.250) 0.357 24.681 ( 0.204 0.151 -0.250) 0.357 25.984 ( 0.621 -1.232 -0.083) 1.382 25.984 ( 0.621 1.232 -0.083) 1.382 26.313 ( -1.374 -1.584 3.910) 4.437 26.313 ( -1.374 1.584 3.910) 4.437 26.718 ( -0.403 -2.624 6.013) 6.573 26.718 ( -0.403 2.624 6.013) 6.573 27.423 ( 0.961 -4.701 -15.362) 16.094 27.423 ( 0.961 4.701 -15.362) 16.094 28.821 ( -0.301 -2.821 0.980) 3.001 28.821 ( -0.301 2.821 0.980) 3.001 29.429 ( -0.032 -3.935 4.351) 5.867 29.429 ( -0.032 3.935 4.351) 5.867 ======================= Grid point 118 (65/80) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.290 -6.975 8.409) 10.929 1.463 ( -0.290 6.975 8.409) 10.929 1.831 ( 0.115 -2.415 -0.418) 2.454 1.831 ( 0.115 2.415 -0.418) 2.454 2.018 ( -2.648 -2.091 9.797) 10.362 2.018 ( -2.648 2.091 9.797) 10.362 2.100 ( 3.670 -4.471 -4.068) 7.072 2.100 ( 3.670 4.471 -4.068) 7.072 2.350 ( -2.613 -3.912 -2.252) 5.216 2.350 ( -2.613 3.912 -2.252) 5.216 2.543 ( -0.504 -6.699 1.019) 6.795 2.543 ( -0.504 6.699 1.019) 6.795 2.720 ( 1.277 -3.232 2.537) 4.302 2.720 ( 1.277 3.232 2.537) 4.302 2.891 ( 4.353 -4.098 4.705) 7.608 2.891 ( 4.353 4.098 4.705) 7.608 3.004 ( -2.259 -1.695 -3.621) 4.592 3.004 ( -2.259 1.695 -3.621) 4.592 3.159 ( 2.154 -1.485 -4.662) 5.346 3.159 ( 2.154 1.485 -4.662) 5.346 3.305 ( 3.479 -1.771 0.954) 4.019 3.305 ( 3.479 1.771 0.954) 4.019 3.492 ( 4.181 -2.133 3.045) 5.595 3.492 ( 4.181 2.133 3.045) 5.595 3.657 ( -1.174 -3.006 -5.559) 6.428 3.657 ( -1.174 3.006 -5.559) 6.428 3.798 ( -0.452 -2.092 -1.459) 2.590 3.798 ( -0.452 2.092 -1.459) 2.590 4.058 ( -5.530 -2.840 3.756) 7.263 4.058 ( -5.530 2.840 3.756) 7.263 4.205 ( -3.103 -3.839 -1.709) 5.223 4.205 ( -3.103 3.839 -1.709) 5.223 4.735 ( -0.206 -1.449 -3.071) 3.402 4.735 ( -0.206 1.449 -3.071) 3.402 5.051 ( -0.251 -1.531 3.498) 3.826 5.051 ( -0.251 1.531 3.498) 3.826 5.169 ( 0.839 -2.491 2.432) 3.581 5.169 ( 0.839 2.491 2.432) 3.581 5.497 ( -0.553 -4.176 -1.360) 4.427 5.497 ( -0.553 4.176 -1.360) 4.427 6.365 ( 0.148 -2.630 -3.531) 4.405 6.365 ( 0.148 2.630 -3.531) 4.405 6.458 ( -1.324 -3.221 -1.756) 3.900 6.458 ( -1.324 3.221 -1.756) 3.900 6.777 ( -1.526 -2.838 1.182) 3.432 6.777 ( -1.526 2.838 1.182) 3.432 7.252 ( -0.385 -2.961 -0.914) 3.123 7.252 ( -0.385 2.961 -0.914) 3.123 7.355 ( -0.558 -6.231 10.425) 12.158 7.355 ( -0.558 6.231 10.425) 12.158 7.814 ( 0.060 -4.144 -7.717) 8.759 7.814 ( 0.060 4.144 -7.717) 8.759 7.976 ( 1.315 -4.725 -1.671) 5.181 7.976 ( 1.315 4.725 -1.671) 5.181 8.495 ( -0.872 -2.599 8.007) 8.463 8.495 ( -0.872 2.599 8.007) 8.463 9.022 ( 1.425 -4.680 -6.943) 8.493 9.022 ( 1.425 4.680 -6.943) 8.493 9.288 ( 0.921 -2.871 -3.732) 4.797 9.288 ( 0.921 2.871 -3.732) 4.797 10.347 ( -1.517 -1.760 6.679) 7.071 10.347 ( -1.517 1.760 6.679) 7.071 11.418 ( 1.408 -5.755 -7.933) 9.902 11.418 ( 1.408 5.755 -7.933) 9.902 12.513 ( -1.062 -3.706 6.763) 7.785 12.513 ( -1.062 3.706 6.763) 7.785 13.253 ( 0.347 -5.643 -5.618) 7.970 13.253 ( 0.347 5.643 -5.618) 7.970 13.684 ( -0.615 -3.602 -3.825) 5.290 13.684 ( -0.615 3.602 -3.825) 5.290 13.955 ( 2.388 -3.389 -1.075) 4.283 13.955 ( 2.388 3.389 -1.075) 4.283 14.514 ( -2.075 -1.229 0.107) 2.414 14.514 ( -2.075 1.229 0.107) 2.414 15.287 ( 0.268 -2.183 1.637) 2.741 15.287 ( 0.268 2.183 1.637) 2.741 16.257 ( -0.790 -1.167 12.219) 12.300 16.257 ( -0.790 1.167 12.219) 12.300 16.631 ( 0.768 -5.566 -4.212) 7.023 16.631 ( 0.768 5.566 -4.212) 7.023 24.480 ( 0.350 -0.769 0.008) 0.845 24.480 ( 0.350 0.769 0.008) 0.845 24.685 ( 0.140 -0.214 -0.406) 0.480 24.685 ( 0.140 0.214 -0.406) 0.480 26.000 ( 0.774 -1.895 -0.146) 2.052 26.000 ( 0.774 1.895 -0.146) 2.052 26.286 ( -1.596 -1.615 3.728) 4.365 26.286 ( -1.596 1.615 3.728) 4.365 26.719 ( -0.526 -2.576 6.131) 6.671 26.719 ( -0.526 2.576 6.131) 6.671 27.413 ( 0.676 -4.427 -15.263) 15.907 27.413 ( 0.676 4.427 -15.263) 15.907 28.812 ( -0.586 -2.834 0.811) 3.005 28.812 ( -0.586 2.834 0.811) 3.005 29.441 ( 0.331 -3.955 4.563) 6.048 29.441 ( 0.331 3.955 4.563) 6.048 ======================= Grid point 135 (66/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -0.800 0.000 -5.892) 5.946 1.273 ( 0.800 0.000 5.892) 5.946 1.377 ( 5.639 0.000 -13.224) 14.376 1.377 ( -5.639 0.000 13.224) 14.376 1.895 ( -7.679 0.000 -0.934) 7.735 1.895 ( 7.679 0.000 0.934) 7.735 1.933 ( -3.727 0.000 -3.768) 5.300 1.933 ( 3.727 0.000 3.768) 5.300 2.074 ( -3.303 0.000 -1.078) 3.474 2.074 ( 3.303 0.000 1.078) 3.474 2.344 ( -1.223 0.000 -12.413) 12.473 2.344 ( 1.223 0.000 12.413) 12.473 2.702 ( -0.860 0.000 -4.572) 4.652 2.702 ( 0.860 0.000 4.572) 4.652 2.738 ( -2.670 0.000 -4.198) 4.975 2.738 ( 2.670 0.000 4.198) 4.975 2.931 ( 1.648 0.000 -11.380) 11.499 2.931 ( -1.648 0.000 11.380) 11.499 3.057 ( -5.389 0.000 -1.647) 5.635 3.057 ( 5.389 0.000 1.647) 5.635 3.261 ( -2.284 0.000 -1.240) 2.599 3.261 ( 2.284 0.000 1.240) 2.599 3.457 ( -0.988 0.000 -3.922) 4.044 3.457 ( 0.988 0.000 3.922) 4.044 3.583 ( 3.982 0.000 -5.169) 6.525 3.583 ( -3.982 0.000 5.169) 6.525 3.703 ( 0.880 0.000 -3.294) 3.409 3.703 ( -0.880 0.000 3.294) 3.409 3.816 ( -2.126 0.000 -0.530) 2.191 3.816 ( 2.126 0.000 0.530) 2.191 4.084 ( 0.397 0.000 -2.635) 2.665 4.084 ( -0.397 0.000 2.635) 2.665 4.276 ( -1.926 0.000 -9.773) 9.961 4.276 ( 1.926 0.000 9.773) 9.961 4.498 ( 0.875 0.000 -3.051) 3.174 4.498 ( -0.875 0.000 3.051) 3.174 5.039 ( 3.153 0.000 -6.022) 6.798 5.039 ( -3.153 0.000 6.022) 6.798 5.688 ( -3.193 0.000 -3.351) 4.629 5.688 ( 3.193 0.000 3.351) 4.629 6.151 ( 1.021 0.000 -6.982) 7.057 6.151 ( -1.021 0.000 6.982) 7.057 6.580 ( 5.477 0.000 -3.936) 6.745 6.580 ( -5.477 0.000 3.936) 6.745 7.040 ( 1.493 0.000 -3.339) 3.658 7.040 ( -1.493 0.000 3.339) 3.658 7.259 ( -0.132 0.000 -4.559) 4.561 7.259 ( 0.132 0.000 4.559) 4.561 7.395 ( -0.552 0.000 -3.959) 3.997 7.395 ( 0.552 0.000 3.959) 3.997 7.558 ( -0.390 0.000 -0.941) 1.019 7.558 ( 0.390 0.000 0.941) 1.019 7.830 ( -1.138 0.000 -3.764) 3.932 7.830 ( 1.138 0.000 3.764) 3.932 8.735 ( 0.224 0.000 -9.352) 9.354 8.735 ( -0.224 0.000 9.352) 9.354 9.152 ( -1.188 0.000 -0.078) 1.191 9.152 ( 1.188 0.000 0.078) 1.191 9.636 ( -2.612 0.000 -9.714) 10.059 9.636 ( 2.612 0.000 9.714) 10.059 10.714 ( 0.630 0.000 -7.879) 7.904 10.714 ( -0.630 0.000 7.879) 7.904 11.387 ( 1.737 0.000 -23.338) 23.402 11.387 ( -1.737 0.000 23.338) 23.402 12.716 ( 1.384 0.000 -6.778) 6.917 12.716 ( -1.384 0.000 6.778) 6.917 13.085 ( 0.185 0.000 -0.368) 0.412 13.085 ( -0.185 0.000 0.368) 0.412 13.735 ( 1.059 0.000 -13.070) 13.113 13.735 ( -1.059 0.000 13.070) 13.113 14.090 ( -2.538 0.000 -2.635) 3.659 14.090 ( 2.538 0.000 2.635) 3.659 14.380 ( -4.527 0.000 0.347) 4.540 14.380 ( 4.527 0.000 -0.347) 4.540 15.455 ( 0.822 0.000 -4.734) 4.804 15.455 ( -0.822 0.000 4.734) 4.804 16.320 ( 2.830 0.000 -4.068) 4.955 16.320 ( -2.830 0.000 4.068) 4.955 16.706 ( -1.675 0.000 -5.705) 5.946 16.706 ( 1.675 0.000 5.705) 5.946 24.496 ( 0.162 0.000 -0.471) 0.498 24.496 ( -0.162 0.000 0.471) 0.498 24.642 ( 0.274 0.000 -0.605) 0.664 24.642 ( -0.274 0.000 0.605) 0.664 26.094 ( -2.271 0.000 -1.784) 2.888 26.094 ( 2.271 0.000 1.784) 2.888 26.240 ( -0.828 0.000 -4.023) 4.107 26.240 ( 0.828 0.000 4.023) 4.107 26.823 ( 0.173 0.000 -4.067) 4.071 26.823 ( -0.173 0.000 4.067) 4.071 26.999 ( -0.961 0.000 -3.074) 3.220 26.999 ( 0.961 0.000 3.074) 3.220 28.831 ( 1.024 0.000 -8.067) 8.131 28.831 ( -1.024 0.000 8.067) 8.131 29.711 ( 0.189 0.000 -3.216) 3.222 29.711 ( -0.189 0.000 3.216) 3.222 ======================= Grid point 137 (67/80) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -1.442 0.000 14.579) 14.650 1.316 ( 2.306 0.000 -10.844) 11.086 1.352 ( 4.780 0.000 10.114) 11.186 1.473 ( 5.496 0.000 -20.159) 20.894 1.696 ( -7.198 0.000 -4.553) 8.518 1.747 ( -11.145 0.000 -6.079) 12.695 1.879 ( -5.044 0.000 -1.718) 5.329 1.962 ( -1.998 0.000 0.762) 2.139 2.090 ( 1.107 0.000 -0.326) 1.154 2.127 ( 3.057 0.000 -0.868) 3.178 2.365 ( 2.278 0.000 -7.926) 8.247 2.380 ( -3.703 0.000 9.622) 10.310 2.644 ( -4.481 0.000 1.837) 4.843 2.656 ( -1.645 0.000 -5.025) 5.287 2.779 ( 1.724 0.000 -0.086) 1.726 2.791 ( 7.631 0.000 4.103) 8.664 2.963 ( 3.290 0.000 15.087) 15.441 2.987 ( 5.410 0.000 -1.031) 5.508 3.061 ( 4.197 0.000 -3.307) 5.344 3.195 ( -1.477 0.000 2.474) 2.882 3.235 ( 6.676 0.000 -2.041) 6.981 3.292 ( 0.788 0.000 -1.002) 1.275 3.430 ( -1.086 0.000 -0.410) 1.161 3.475 ( -0.087 0.000 8.678) 8.679 3.518 ( -2.965 0.000 -0.265) 2.977 3.653 ( 2.366 0.000 -3.589) 4.299 3.695 ( -4.810 0.000 6.594) 8.162 3.718 ( 0.557 0.000 -7.096) 7.118 3.730 ( -1.508 0.000 3.728) 4.021 3.787 ( -4.193 0.000 1.434) 4.432 4.077 ( -0.527 0.000 1.919) 1.990 4.080 ( -0.161 0.000 -3.946) 3.950 4.265 ( 2.621 0.000 -10.836) 11.148 4.344 ( 2.607 0.000 4.767) 5.434 4.500 ( 0.537 0.000 3.372) 3.415 4.517 ( 1.239 0.000 -2.625) 2.903 5.041 ( 1.926 0.000 6.435) 6.717 5.137 ( 5.679 0.000 -1.810) 5.961 5.613 ( -2.378 0.000 -3.118) 3.921 5.731 ( 0.335 0.000 2.939) 2.958 6.142 ( -0.852 0.000 6.802) 6.855 6.158 ( 0.811 0.000 -7.800) 7.842 6.554 ( 2.342 0.000 2.982) 3.792 6.719 ( 7.150 0.000 -11.672) 13.688 7.019 ( -0.461 0.000 4.519) 4.543 7.061 ( 0.977 0.000 -0.241) 1.006 7.264 ( 1.278 0.000 -4.583) 4.758 7.279 ( 0.869 0.000 3.788) 3.886 7.384 ( 0.052 0.000 -1.976) 1.976 7.410 ( -0.352 0.000 8.652) 8.659 7.563 ( 0.994 0.000 -2.347) 2.549 7.589 ( 2.588 0.000 -1.967) 3.251 7.797 ( -1.053 0.000 -4.850) 4.963 7.850 ( 0.080 0.000 3.478) 3.479 8.751 ( 2.844 0.000 -8.263) 8.739 8.772 ( 2.380 0.000 9.348) 9.646 9.115 ( -2.461 0.000 -0.525) 2.517 9.157 ( -1.346 0.000 1.968) 2.384 9.492 ( -8.309 0.000 -7.140) 10.955 9.606 ( -6.290 0.000 6.468) 9.022 10.695 ( -2.083 0.000 7.388) 7.676 10.696 ( -0.683 0.000 -8.478) 8.506 11.382 ( 1.608 0.000 -23.433) 23.489 11.387 ( -2.126 0.000 23.356) 23.452 12.718 ( 0.367 0.000 6.765) 6.775 12.743 ( 1.874 0.000 -6.788) 7.042 13.084 ( 0.030 0.000 0.479) 0.480 13.088 ( 0.193 0.000 -0.694) 0.720 13.747 ( -0.101 0.000 12.363) 12.364 13.748 ( 1.979 0.000 -11.681) 11.847 14.077 ( 1.254 0.000 -1.099) 1.667 14.183 ( 4.471 0.000 3.232) 5.517 14.309 ( -1.211 0.000 2.719) 2.977 14.466 ( 3.640 0.000 -3.292) 4.908 15.439 ( -1.308 0.000 4.248) 4.445 15.453 ( -0.232 0.000 -4.993) 4.999 16.263 ( -2.879 0.000 4.350) 5.217 16.343 ( -0.574 0.000 -3.515) 3.562 16.640 ( -2.366 0.000 -9.330) 9.625 16.709 ( -2.177 0.000 6.626) 6.975 24.489 ( -0.490 0.000 0.487) 0.691 24.493 ( -0.304 0.000 -0.637) 0.706 24.640 ( 0.015 0.000 0.683) 0.683 24.647 ( 0.259 0.000 -0.619) 0.671 26.088 ( 1.707 0.000 -2.342) 2.898 26.169 ( 3.776 0.000 -2.580) 4.573 26.220 ( -0.314 0.000 -1.529) 1.561 26.263 ( 0.587 0.000 5.077) 5.111 26.828 ( 0.921 0.000 -5.237) 5.317 26.834 ( 0.353 0.000 4.164) 4.179 27.000 ( 1.631 0.000 -3.740) 4.080 27.038 ( 1.602 0.000 7.267) 7.441 28.850 ( 1.450 0.000 8.242) 8.369 28.863 ( 3.109 0.000 -6.712) 7.397 29.652 ( -4.533 0.000 -6.623) 8.026 29.657 ( -5.069 0.000 4.467) 6.757 ======================= Grid point 138 (68/80) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.655 0.000 11.867) 11.885 1.374 ( -5.192 0.000 -9.427) 10.762 1.416 ( 6.924 0.000 -9.316) 11.607 1.515 ( 0.174 0.000 -2.153) 2.160 1.591 ( -2.081 0.000 6.075) 6.421 1.622 ( -1.046 0.000 -3.015) 3.192 1.832 ( 1.405 0.000 -1.358) 1.954 1.889 ( -3.751 0.000 -1.894) 4.203 2.088 ( 1.746 0.000 -5.048) 5.342 2.174 ( -2.309 0.000 -1.280) 2.640 2.268 ( -2.574 0.000 8.273) 8.665 2.333 ( -3.934 0.000 -4.098) 5.680 2.606 ( 0.111 0.000 5.298) 5.299 2.631 ( -0.701 0.000 -4.954) 5.003 2.861 ( 6.220 0.000 -3.307) 7.045 2.930 ( 2.549 0.000 4.018) 4.759 3.035 ( -0.654 0.000 4.434) 4.482 3.054 ( 0.095 0.000 -1.687) 1.690 3.189 ( 7.245 0.000 -1.764) 7.457 3.219 ( 5.256 0.000 7.566) 9.212 3.309 ( 1.461 0.000 -0.726) 1.631 3.310 ( 0.188 0.000 -0.452) 0.490 3.415 ( -0.460 0.000 0.708) 0.845 3.447 ( -3.574 0.000 0.092) 3.575 3.526 ( 1.819 0.000 8.168) 8.368 3.574 ( -2.947 0.000 11.131) 11.514 3.606 ( -7.035 0.000 -13.705) 15.405 3.637 ( -3.044 0.000 -3.184) 4.405 3.758 ( 0.982 0.000 3.858) 3.981 3.766 ( 0.732 0.000 -3.607) 3.680 4.071 ( -0.428 0.000 2.691) 2.725 4.071 ( 0.035 0.000 -3.802) 3.802 4.324 ( 3.816 0.000 -6.769) 7.771 4.370 ( -0.962 0.000 3.144) 3.288 4.522 ( 0.774 0.000 3.382) 3.470 4.532 ( 0.421 0.000 -2.606) 2.640 5.116 ( 3.920 0.000 4.685) 6.109 5.185 ( -1.270 0.000 -2.199) 2.539 5.627 ( 3.781 0.000 -0.645) 3.836 5.707 ( -3.033 0.000 1.032) 3.204 6.143 ( -0.205 0.000 7.618) 7.621 6.155 ( 0.146 0.000 -8.072) 8.074 6.652 ( 5.288 0.000 7.020) 8.789 6.751 ( -1.928 0.000 -11.397) 11.559 7.053 ( 2.455 0.000 -1.141) 2.707 7.075 ( -0.083 0.000 2.847) 2.848 7.288 ( 1.445 0.000 -4.119) 4.365 7.297 ( 0.069 0.000 3.233) 3.234 7.392 ( 1.193 0.000 -4.871) 5.015 7.408 ( -1.307 0.000 9.429) 9.519 7.590 ( 1.941 0.000 -1.001) 2.184 7.621 ( -0.233 0.000 -0.496) 0.548 7.795 ( 2.170 0.000 -6.169) 6.539 7.838 ( -1.988 0.000 4.386) 4.815 8.824 ( 5.082 0.000 -6.048) 7.899 8.849 ( 2.750 0.000 6.454) 7.015 9.053 ( -2.653 0.000 -4.260) 5.018 9.077 ( -6.269 0.000 6.226) 8.835 9.381 ( -0.047 0.000 -3.679) 3.679 9.459 ( -7.110 0.000 2.192) 7.440 10.671 ( -1.265 0.000 8.002) 8.101 10.672 ( -0.011 0.000 -8.599) 8.599 11.378 ( 1.881 0.000 -23.493) 23.568 11.381 ( -2.178 0.000 23.451) 23.552 12.742 ( 0.563 0.000 6.915) 6.938 12.756 ( 0.460 0.000 -7.012) 7.027 13.087 ( 0.102 0.000 0.872) 0.878 13.089 ( 0.033 0.000 -1.014) 1.014 13.762 ( -0.466 0.000 10.916) 10.926 13.763 ( 1.161 0.000 -10.519) 10.583 14.121 ( 2.831 0.000 0.062) 2.832 14.181 ( -2.689 0.000 -1.070) 2.894 14.404 ( 6.003 0.000 10.428) 12.032 14.493 ( -0.641 0.000 -8.071) 8.096 15.424 ( -0.584 0.000 4.002) 4.044 15.434 ( -0.646 0.000 -4.595) 4.640 16.239 ( 0.163 0.000 4.907) 4.910 16.287 ( -3.227 0.000 -4.419) 5.472 16.619 ( 1.883 0.000 -11.095) 11.254 16.660 ( -3.401 0.000 9.421) 10.016 24.483 ( -0.176 0.000 0.645) 0.669 24.485 ( -0.282 0.000 -0.720) 0.774 24.644 ( 0.217 0.000 0.764) 0.794 24.648 ( -0.025 0.000 -0.728) 0.729 26.133 ( 2.422 0.000 -0.516) 2.477 26.175 ( -1.457 0.000 -1.841) 2.348 26.255 ( 2.356 0.000 -3.140) 3.926 26.275 ( -0.405 0.000 4.779) 4.796 26.838 ( 0.907 0.000 -6.010) 6.078 26.842 ( -0.392 0.000 5.587) 5.601 27.043 ( 2.985 0.000 -8.474) 8.985 27.068 ( -0.629 0.000 10.411) 10.430 28.901 ( 1.675 0.000 6.809) 7.012 28.912 ( 1.867 0.000 -5.449) 5.760 29.554 ( -2.250 0.000 -10.311) 10.554 29.561 ( -4.217 0.000 8.477) 9.468 ======================= Grid point 141 (69/80) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 2.210 3.118 -13.788) 14.308 1.301 ( -2.210 3.118 13.788) 14.308 1.463 ( 1.930 8.351 -12.197) 14.907 1.463 ( -1.930 8.351 12.197) 14.907 1.905 ( -5.718 1.602 -5.006) 7.767 1.905 ( 5.718 1.602 5.006) 7.767 1.929 ( 1.968 0.584 -2.749) 3.431 1.929 ( -1.968 0.584 2.749) 3.431 2.183 ( 0.093 7.600 -1.527) 7.753 2.183 ( -0.093 7.600 1.527) 7.753 2.346 ( -2.336 1.571 -13.174) 13.471 2.346 ( 2.336 1.571 13.174) 13.471 2.707 ( -2.276 2.682 -5.107) 6.201 2.707 ( 2.276 2.682 5.107) 6.201 2.856 ( 1.423 5.466 -1.177) 5.769 2.856 ( -1.423 5.466 1.177) 5.769 2.959 ( -0.981 5.124 -5.553) 7.620 2.959 ( 0.981 5.124 5.553) 7.620 3.040 ( -2.584 -1.840 -1.627) 3.565 3.040 ( 2.584 -1.840 1.627) 3.565 3.257 ( -3.524 0.764 -3.553) 5.062 3.257 ( 3.524 0.764 3.553) 5.062 3.483 ( 0.269 -0.780 -6.358) 6.411 3.483 ( -0.269 -0.780 6.358) 6.411 3.542 ( 0.447 -0.693 -3.500) 3.596 3.542 ( -0.447 -0.693 3.500) 3.596 3.709 ( 2.713 1.635 -4.367) 5.395 3.709 ( -2.713 1.635 4.367) 5.395 3.871 ( -2.004 4.000 -2.129) 4.954 3.871 ( 2.004 4.000 2.129) 4.954 4.086 ( 1.076 -0.234 -2.840) 3.046 4.086 ( -1.076 -0.234 2.840) 3.046 4.300 ( -1.508 3.110 -9.887) 10.474 4.300 ( 1.508 3.110 9.887) 10.474 4.586 ( 0.314 8.850 -9.346) 12.875 4.586 ( -0.314 8.850 9.346) 12.875 5.048 ( 2.954 1.168 -5.639) 6.472 5.048 ( -2.954 1.168 5.639) 6.472 5.662 ( -1.713 -2.744 -5.784) 6.627 5.662 ( 1.713 -2.744 5.784) 6.627 6.192 ( 1.241 3.446 -5.574) 6.670 6.192 ( -1.241 3.446 5.574) 6.670 6.564 ( 3.997 -1.349 -2.968) 5.158 6.564 ( -3.997 -1.349 2.968) 5.158 6.965 ( 2.213 -6.509 -4.451) 8.189 6.965 ( -2.213 -6.509 4.451) 8.189 7.255 ( 0.916 0.392 -5.123) 5.219 7.255 ( -0.916 0.392 5.123) 5.219 7.448 ( 0.854 3.456 -11.712) 12.241 7.448 ( -0.854 3.456 11.712) 12.241 7.607 ( 0.992 4.884 -5.959) 7.768 7.607 ( -0.992 4.884 5.959) 7.768 7.824 ( -1.018 -0.640 -4.447) 4.607 7.824 ( 1.018 -0.640 4.447) 4.607 8.704 ( 0.361 -2.916 -9.420) 9.868 8.704 ( -0.361 -2.916 9.420) 9.868 9.145 ( -0.831 -0.800 -0.866) 1.443 9.145 ( 0.831 -0.800 0.866) 1.443 9.570 ( -1.442 -6.374 -6.391) 9.141 9.570 ( 1.442 -6.374 6.391) 9.141 10.663 ( 0.905 -4.711 -7.509) 8.910 10.663 ( -0.905 -4.711 7.509) 8.910 11.371 ( 1.765 -1.594 -20.897) 21.032 11.371 ( -1.765 -1.594 20.897) 21.032 12.682 ( 0.464 -2.459 -7.008) 7.441 12.682 ( -0.464 -2.459 7.008) 7.441 13.191 ( 0.612 9.190 -1.541) 9.338 13.191 ( -0.612 9.190 1.541) 9.338 13.631 ( 1.193 -9.364 -11.004) 14.498 13.631 ( -1.193 -9.364 11.004) 14.498 14.083 ( -3.298 -0.819 -2.222) 4.060 14.083 ( 3.298 -0.819 2.222) 4.060 14.396 ( 2.937 1.332 -1.412) 3.521 14.396 ( -2.937 1.332 1.412) 3.521 15.439 ( 0.687 -1.663 -4.457) 4.807 15.439 ( -0.687 -1.663 4.457) 4.807 16.330 ( 2.194 1.065 -4.955) 5.522 16.330 ( -2.194 1.065 4.955) 5.522 16.683 ( -1.302 -2.186 -9.078) 9.428 16.683 ( 1.302 -2.186 9.078) 9.428 24.494 ( 0.206 -0.161 -0.945) 0.980 24.494 ( -0.206 -0.161 0.945) 0.980 24.649 ( 0.161 0.692 -0.228) 0.746 24.649 ( -0.161 0.692 0.228) 0.746 26.079 ( -2.277 -1.486 -2.332) 3.581 26.079 ( 2.277 -1.486 2.332) 3.581 26.259 ( -2.181 1.634 -2.903) 3.982 26.259 ( 2.181 1.634 2.903) 3.982 26.796 ( 0.210 -1.611 -7.200) 7.381 26.796 ( -0.210 -1.611 7.200) 7.381 27.060 ( 0.044 4.868 -9.111) 10.330 27.060 ( -0.044 4.868 9.111) 10.330 28.827 ( 0.914 -0.371 -7.427) 7.492 28.827 ( -0.914 -0.371 7.427) 7.492 29.663 ( -0.056 -4.286 -4.958) 6.554 29.663 ( 0.056 -4.286 4.958) 6.554 ======================= Grid point 143 (70/80) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.406 4.000 14.837) 15.372 1.378 ( 6.079 5.464 -11.989) 14.510 1.441 ( 2.858 7.814 3.047) 8.861 1.520 ( 2.461 5.786 -13.500) 14.893 1.767 ( -3.788 6.662 -0.149) 7.665 1.837 ( -8.239 6.308 -6.128) 12.050 1.908 ( -1.940 3.674 -1.631) 4.464 1.973 ( -0.616 0.845 3.226) 3.391 2.162 ( -0.610 6.767 -2.263) 7.161 2.175 ( 0.346 4.267 -1.448) 4.519 2.349 ( 2.499 -1.224 -10.125) 10.501 2.394 ( -2.430 2.514 8.923) 9.583 2.608 ( -5.241 1.217 -5.320) 7.566 2.709 ( -1.820 1.799 5.047) 5.659 2.749 ( -3.442 0.081 5.482) 6.474 2.940 ( 1.413 5.483 -4.620) 7.308 2.977 ( 5.146 2.427 9.508) 11.081 3.012 ( 3.491 3.603 1.060) 5.127 3.051 ( 2.200 -1.550 -0.843) 2.820 3.109 ( 1.605 -3.421 1.695) 4.141 3.227 ( 1.956 -1.513 -1.677) 2.988 3.346 ( 3.881 4.232 3.098) 6.524 3.460 ( -0.575 -1.773 -3.432) 3.905 3.476 ( -1.805 -0.383 6.759) 7.006 3.532 ( 2.126 5.900 -2.253) 6.664 3.579 ( -0.600 -5.121 3.319) 6.132 3.674 ( -2.024 -0.532 3.940) 4.461 3.762 ( -1.541 4.064 -0.838) 4.426 3.795 ( -0.825 4.448 -1.341) 4.718 3.869 ( -1.515 5.948 0.447) 6.154 4.078 ( -0.231 -0.494 2.505) 2.564 4.101 ( 0.618 2.277 -4.784) 5.334 4.277 ( 1.842 1.837 -8.749) 9.127 4.362 ( 1.968 2.811 4.385) 5.568 4.582 ( 1.052 8.130 -4.680) 9.440 4.609 ( 0.614 9.237 5.576) 10.807 5.047 ( 1.714 0.894 5.399) 5.735 5.134 ( 4.919 0.049 -2.793) 5.657 5.597 ( -1.995 -1.997 -3.640) 4.607 5.700 ( 0.068 -3.250 3.787) 4.991 6.176 ( -0.521 3.075 3.727) 4.860 6.207 ( 0.597 4.105 -4.796) 6.341 6.544 ( 2.045 -1.037 1.678) 2.841 6.677 ( 5.515 -3.852 -8.448) 10.799 6.945 ( 0.381 -5.950 5.356) 8.015 7.010 ( 2.132 -5.242 -2.371) 6.135 7.243 ( 0.017 -0.160 3.240) 3.244 7.281 ( 1.134 0.318 -1.246) 1.714 7.435 ( 0.121 3.481 -0.875) 3.591 7.473 ( 0.617 4.154 2.889) 5.097 7.601 ( 0.086 4.241 2.475) 4.911 7.631 ( 1.932 4.113 -4.708) 6.543 7.791 ( -1.013 -0.604 -5.529) 5.653 7.843 ( 0.003 -0.769 3.982) 4.056 8.700 ( 1.467 -4.077 -1.420) 4.559 8.755 ( 3.035 -2.417 2.654) 4.701 9.109 ( -2.391 -0.657 -1.250) 2.776 9.145 ( -1.746 -1.324 2.463) 3.297 9.458 ( -6.842 -3.693 -4.161) 8.818 9.539 ( -5.043 -6.236 2.823) 8.502 10.640 ( -1.110 -4.270 2.620) 5.131 10.667 ( -0.279 -3.650 -3.147) 4.827 11.362 ( -0.779 -1.824 4.567) 4.979 11.370 ( 0.056 -1.526 -4.448) 4.703 12.690 ( 1.146 -2.493 -1.104) 2.958 12.704 ( 1.241 -2.513 1.362) 3.117 13.178 ( -0.668 8.376 1.184) 8.486 13.193 ( -0.206 8.970 -2.059) 9.206 13.630 ( 0.275 -9.435 4.730) 10.557 13.651 ( 1.185 -9.618 -4.553) 10.707 14.054 ( 0.874 -2.174 -0.963) 2.533 14.219 ( 8.444 -0.216 4.656) 9.645 14.283 ( -5.422 0.816 1.750) 5.756 14.494 ( 3.809 1.892 -3.593) 5.568 15.424 ( -1.359 -1.606 4.072) 4.584 15.435 ( -0.381 -1.858 -4.587) 4.964 16.283 ( -2.478 1.927 4.613) 5.579 16.348 ( -0.470 0.629 -4.145) 4.219 16.625 ( -1.612 -1.386 -10.748) 10.956 16.692 ( -1.856 -1.696 8.646) 9.004 24.487 ( -0.556 -0.191 0.890) 1.067 24.491 ( -0.300 -0.179 -1.011) 1.070 24.648 ( 0.001 0.686 0.344) 0.767 24.653 ( 0.171 0.599 -0.269) 0.679 26.049 ( 0.538 -2.599 -1.666) 3.133 26.156 ( 1.683 -3.717 0.917) 4.182 26.223 ( 1.162 3.099 -3.468) 4.794 26.308 ( 1.628 2.612 2.997) 4.297 26.796 ( 0.883 -1.888 -6.772) 7.085 26.807 ( -0.045 -1.835 6.960) 7.198 27.062 ( 1.705 4.923 -7.146) 8.844 27.091 ( 1.029 4.302 9.046) 10.069 28.843 ( 1.208 -0.638 7.265) 7.393 28.855 ( 2.671 -0.799 -6.050) 6.662 29.607 ( -3.814 -3.614 -4.722) 7.065 29.628 ( -3.893 -2.990 2.887) 5.695 ======================= Grid point 144 (71/80) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 1.464 6.344 11.756) 13.439 1.444 ( -4.287 6.726 -10.548) 13.224 1.520 ( 6.338 8.257 -8.726) 13.582 1.576 ( 5.505 6.443 0.633) 8.498 1.692 ( -3.352 9.444 -1.495) 10.132 1.732 ( -2.414 9.459 1.513) 9.878 1.885 ( 1.069 5.379 0.948) 5.565 1.934 ( -2.468 3.744 -1.986) 4.904 2.139 ( 0.656 5.180 -3.082) 6.063 2.210 ( 0.046 3.459 -2.868) 4.493 2.265 ( -4.541 0.397 6.256) 7.741 2.334 ( -4.574 0.347 -2.859) 5.406 2.569 ( 3.145 -1.556 -6.606) 7.480 2.646 ( -4.532 0.161 7.643) 8.887 2.798 ( 5.485 -2.955 2.365) 6.664 2.921 ( -4.635 -3.185 -1.357) 5.786 3.020 ( 0.616 -1.402 2.727) 3.127 3.034 ( -0.045 -1.671 -0.914) 1.906 3.182 ( 5.919 1.265 4.535) 7.563 3.188 ( 5.129 -0.978 -2.559) 5.815 3.287 ( 3.776 -3.078 -0.178) 4.875 3.375 ( -2.649 -0.077 2.288) 3.501 3.452 ( 1.216 2.215 -2.128) 3.303 3.471 ( 0.163 1.953 2.388) 3.089 3.526 ( -3.707 -1.701 7.784) 8.788 3.558 ( -2.260 0.301 -3.139) 3.880 3.636 ( 0.625 6.650 0.347) 6.688 3.684 ( -2.923 4.182 1.367) 5.282 3.821 ( 1.158 6.085 -2.796) 6.796 3.840 ( -1.109 7.304 -0.532) 7.407 4.083 ( 0.235 0.585 3.188) 3.250 4.096 ( -0.280 2.493 -4.147) 4.846 4.329 ( 3.654 1.281 -6.243) 7.347 4.376 ( -1.286 1.685 3.296) 3.919 4.606 ( 1.711 8.257 -5.348) 9.985 4.621 ( -0.568 8.839 6.275) 10.855 5.115 ( 3.562 0.189 3.724) 5.157 5.176 ( -0.997 -0.553 -2.164) 2.446 5.607 ( 3.293 -2.369 -2.563) 4.799 5.676 ( -2.911 -3.270 2.879) 5.240 6.182 ( 0.375 3.552 4.571) 5.801 6.200 ( -0.379 3.997 -5.111) 6.499 6.625 ( 4.419 -2.658 4.124) 6.603 6.702 ( -1.505 -4.575 -7.102) 8.581 6.997 ( 2.885 -4.725 1.606) 5.764 7.031 ( -0.117 -4.353 -0.901) 4.446 7.266 ( 1.453 -0.610 2.046) 2.582 7.289 ( -0.295 -0.205 -0.904) 0.973 7.449 ( 1.357 3.869 -2.765) 4.945 7.472 ( -1.238 4.472 4.618) 6.547 7.620 ( 1.285 3.263 2.091) 4.083 7.648 ( -0.368 2.911 -3.016) 4.207 7.789 ( 2.221 -0.640 -6.705) 7.092 7.831 ( -1.982 -0.773 4.908) 5.349 8.763 ( 4.559 -5.164 -1.122) 6.979 8.814 ( 1.053 -4.098 1.785) 4.592 9.050 ( -2.215 -0.347 -4.478) 5.008 9.069 ( -5.015 -0.760 5.969) 7.833 9.367 ( -0.251 -1.659 -2.627) 3.117 9.423 ( -5.286 -3.392 1.060) 6.370 10.634 ( 0.051 -3.189 3.076) 4.431 10.649 ( -0.735 -2.802 -3.398) 4.466 11.358 ( -0.324 -1.895 3.793) 4.252 11.362 ( -0.088 -1.731 -3.741) 4.123 12.713 ( 1.051 -2.416 -0.743) 2.738 12.722 ( 0.169 -2.439 0.892) 2.602 13.173 ( -0.012 7.783 1.582) 7.942 13.181 ( -0.431 8.093 -2.104) 8.373 13.647 ( 0.392 -9.588 5.060) 10.848 13.657 ( 0.261 -9.676 -4.930) 10.863 14.100 ( 3.492 -2.505 -1.636) 4.599 14.181 ( -4.689 -1.804 2.017) 5.414 14.407 ( 7.679 1.390 6.898) 10.415 14.515 ( -1.483 1.703 -5.976) 6.389 15.407 ( -0.698 -1.753 3.918) 4.349 15.414 ( -0.627 -1.874 -4.317) 4.748 16.263 ( 0.021 2.259 5.019) 5.504 16.301 ( -2.547 1.434 -4.813) 5.631 16.612 ( 2.011 -0.730 -11.352) 11.551 16.652 ( -3.209 -0.957 10.124) 10.663 24.480 ( -0.208 -0.228 0.932) 0.982 24.483 ( -0.280 -0.220 -1.011) 1.072 24.650 ( 0.177 0.582 0.479) 0.774 24.654 ( -0.053 0.532 -0.427) 0.684 26.080 ( 2.346 -3.669 -1.195) 4.516 26.129 ( -2.480 -3.869 0.735) 4.654 26.288 ( 3.447 2.859 -3.696) 5.807 26.325 ( -0.697 3.004 3.491) 4.658 26.806 ( 1.062 -2.159 -6.645) 7.067 26.812 ( -0.608 -2.119 6.731) 7.083 27.096 ( 2.564 4.268 -9.850) 11.037 27.115 ( -0.715 3.860 11.048) 11.725 28.886 ( 1.327 -1.397 6.329) 6.616 28.895 ( 1.571 -1.549 -5.315) 5.755 29.532 ( -1.559 -1.762 -5.784) 6.244 29.548 ( -3.587 -1.418 4.343) 5.809 ======================= Grid point 147 (72/80) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.831 5.901 -13.468) 14.817 1.392 ( -1.831 5.901 13.468) 14.817 1.667 ( -0.119 10.951 -6.838) 12.911 1.667 ( 0.119 10.951 6.838) 12.911 1.928 ( 0.269 1.498 -6.458) 6.635 1.928 ( -0.269 1.498 6.458) 6.635 2.000 ( -2.028 6.152 -4.047) 7.638 2.000 ( 2.028 6.152 4.047) 7.638 2.241 ( 2.217 -0.601 -5.553) 6.009 2.241 ( -2.217 -0.601 5.553) 6.009 2.462 ( -3.787 7.884 -6.710) 11.024 2.462 ( 3.787 7.884 6.710) 11.024 2.772 ( -2.238 2.833 -7.068) 7.937 2.772 ( 2.238 2.833 7.068) 7.937 2.898 ( 0.949 0.734 -3.876) 4.057 2.898 ( -0.949 0.734 3.876) 4.057 2.980 ( -1.628 -2.832 -3.308) 4.649 2.980 ( 1.628 -2.832 3.308) 4.649 3.100 ( -0.657 4.699 -3.871) 6.123 3.100 ( 0.657 4.699 3.871) 6.123 3.312 ( -6.339 5.030 -3.340) 8.755 3.312 ( 6.339 5.030 3.340) 8.755 3.436 ( 0.630 -1.677 -5.130) 5.434 3.436 ( -0.630 -1.677 5.130) 5.434 3.597 ( 1.789 4.901 -3.926) 6.530 3.597 ( -1.789 4.901 3.926) 6.530 3.751 ( 0.826 1.908 -3.325) 3.921 3.751 ( -0.826 1.908 3.325) 3.921 3.930 ( -1.483 1.918 -4.024) 4.698 3.930 ( 1.483 1.918 4.024) 4.698 4.092 ( -1.017 1.333 -1.271) 2.104 4.092 ( 1.017 1.333 1.271) 2.104 4.403 ( -1.598 7.380 -7.629) 10.734 4.403 ( 1.598 7.380 7.629) 10.734 4.818 ( -0.353 13.860 -11.467) 17.992 4.818 ( 0.353 13.860 11.467) 17.992 5.091 ( 2.247 3.377 -3.945) 5.658 5.091 ( -2.247 3.377 3.945) 5.658 5.580 ( -1.509 -5.557 -5.774) 8.154 5.580 ( 1.509 -5.557 5.774) 8.154 6.254 ( 1.060 2.639 -3.372) 4.411 6.254 ( -1.060 2.639 3.372) 4.411 6.531 ( 2.560 -2.298 -1.257) 3.663 6.531 ( -2.560 -2.298 1.257) 3.663 6.838 ( 2.291 -5.535 -4.177) 7.303 6.838 ( -2.291 -5.535 4.177) 7.303 7.266 ( 0.919 0.148 -5.499) 5.577 7.266 ( -0.919 0.148 5.499) 5.577 7.502 ( 1.212 2.245 -14.303) 14.529 7.502 ( -1.212 2.245 14.303) 14.529 7.713 ( 0.265 3.899 -6.211) 7.338 7.713 ( -0.265 3.899 6.211) 7.338 7.817 ( 0.285 1.395 -5.809) 5.981 7.817 ( -0.285 1.395 5.809) 5.981 8.638 ( 0.348 -3.415 -8.339) 9.017 8.638 ( -0.348 -3.415 8.339) 9.017 9.114 ( -0.437 -2.780 -2.283) 3.624 9.114 ( 0.437 -2.780 2.283) 3.624 9.416 ( 0.263 -8.529 -2.713) 8.954 9.416 ( -0.263 -8.529 2.713) 8.954 10.555 ( 0.993 -5.907 -6.116) 8.561 10.555 ( -0.993 -5.907 6.116) 8.561 11.340 ( 1.486 -1.159 -14.603) 14.724 11.340 ( -1.486 -1.159 14.603) 14.724 12.639 ( -0.252 -1.998 -6.862) 7.151 12.639 ( 0.252 -1.998 6.862) 7.151 13.350 ( 1.139 1.269 -10.325) 10.465 13.350 ( -1.139 1.269 10.325) 10.465 13.464 ( -0.540 -1.638 -0.882) 1.937 13.464 ( 0.540 -1.638 0.882) 1.937 14.054 ( -3.694 -2.222 -1.365) 4.522 14.054 ( 3.694 -2.222 1.365) 4.522 14.426 ( 4.949 1.839 -3.136) 6.141 14.426 ( -4.949 1.839 3.136) 6.141 15.393 ( 0.467 -2.972 -3.693) 4.763 15.393 ( -0.467 -2.972 3.693) 4.763 16.361 ( 1.577 2.069 -5.888) 6.437 16.361 ( -1.577 2.069 5.888) 6.437 16.632 ( -0.724 -2.882 -11.386) 11.767 16.632 ( 0.724 -2.882 11.386) 11.767 24.491 ( 0.230 -0.196 -1.284) 1.319 24.491 ( -0.230 -0.196 1.284) 1.319 24.664 ( -0.065 0.736 -0.164) 0.757 24.664 ( 0.065 0.736 0.164) 0.757 26.045 ( -1.529 -1.762 -2.425) 3.365 26.045 ( 1.529 -1.762 2.425) 3.365 26.290 ( -2.208 1.299 -1.864) 3.168 26.290 ( 2.208 1.299 1.864) 3.168 26.783 ( 0.296 0.345 -6.822) 6.837 26.783 ( -0.296 0.345 6.822) 6.837 27.150 ( 0.302 3.899 -9.553) 10.323 27.150 ( -0.302 3.899 9.553) 10.323 28.819 ( 0.635 -0.371 -5.626) 5.674 28.819 ( -0.635 -0.371 5.626) 5.674 29.576 ( -0.078 -4.115 -5.562) 6.919 29.576 ( 0.078 -4.115 5.562) 6.919 ======================= Grid point 149 (73/80) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 3.472 7.543 10.419) 13.324 1.475 ( 8.100 4.592 -14.328) 17.088 1.620 ( -0.576 9.271 -2.293) 9.568 1.699 ( -0.403 10.658 -1.937) 10.840 1.879 ( -0.127 3.428 0.542) 3.473 1.941 ( 0.094 5.538 -3.770) 6.700 1.996 ( 0.863 3.305 -0.131) 3.419 2.045 ( -0.746 8.672 3.066) 9.228 2.212 ( -0.894 -0.526 3.820) 3.958 2.274 ( 1.466 1.005 -3.446) 3.877 2.379 ( -1.961 6.554 -10.266) 12.337 2.521 ( -0.499 9.026 2.672) 9.426 2.657 ( -6.402 1.823 -3.833) 7.681 2.740 ( -3.802 1.302 2.629) 4.803 2.775 ( -6.411 3.662 6.428) 9.789 2.942 ( -1.369 -1.280 -3.187) 3.697 2.975 ( 0.939 -2.304 4.686) 5.305 3.004 ( -1.250 -2.174 0.525) 2.562 3.114 ( 3.824 2.754 0.470) 4.736 3.127 ( 1.292 1.623 4.110) 4.604 3.215 ( -1.620 1.689 -2.004) 3.081 3.376 ( -0.302 -1.303 -0.287) 1.368 3.431 ( -0.278 -3.384 2.881) 4.453 3.499 ( -1.162 3.658 5.258) 6.509 3.534 ( 1.722 4.786 0.917) 5.169 3.624 ( -0.849 1.419 1.182) 2.033 3.719 ( 0.410 -0.273 -2.129) 2.185 3.829 ( -0.528 6.385 -0.561) 6.432 3.875 ( 1.310 3.048 -3.575) 4.877 3.975 ( 3.599 4.656 3.339) 6.766 4.070 ( -0.565 0.562 1.514) 1.711 4.161 ( 2.899 3.892 -2.783) 5.594 4.371 ( 0.611 8.014 -4.992) 9.461 4.463 ( 1.694 6.795 5.095) 8.661 4.804 ( 1.217 14.048 -11.687) 18.315 4.847 ( 0.202 14.200 10.718) 17.792 5.082 ( 1.106 2.695 2.747) 4.004 5.152 ( 3.337 2.007 -3.152) 5.010 5.528 ( -1.502 -4.897 -4.880) 7.075 5.607 ( -0.348 -6.021 5.213) 7.971 6.239 ( 0.063 3.007 1.413) 3.323 6.279 ( 0.886 2.824 -2.910) 4.150 6.516 ( 1.064 -1.913 -0.129) 2.193 6.589 ( 2.328 -4.957 -2.166) 5.889 6.839 ( 1.897 -4.270 4.613) 6.566 6.895 ( 3.073 -5.729 -2.357) 6.915 7.252 ( -0.352 0.391 3.137) 3.181 7.285 ( 0.829 -0.413 -2.330) 2.507 7.492 ( 0.072 2.338 0.427) 2.377 7.529 ( 1.218 1.788 -0.758) 2.292 7.705 ( 0.034 3.557 -1.121) 3.730 7.725 ( 0.534 4.631 0.406) 4.679 7.785 ( -1.461 1.211 -2.303) 2.984 7.828 ( -0.145 0.598 0.828) 1.032 8.620 ( 0.435 -3.579 -0.262) 3.615 8.685 ( 2.243 -4.231 1.454) 5.005 9.083 ( -2.101 -2.437 -2.928) 4.350 9.101 ( -2.425 -3.395 4.128) 5.869 9.356 ( -3.513 -5.939 -1.006) 6.973 9.398 ( -2.545 -7.547 -0.524) 7.982 10.545 ( -0.203 -5.184 3.521) 6.270 10.572 ( 0.819 -5.639 -3.631) 6.757 11.328 ( -1.543 -1.258 11.608) 11.777 11.339 ( 0.518 -1.272 -11.489) 11.571 12.639 ( 1.339 -2.370 -6.486) 7.034 12.664 ( 0.701 -1.977 7.047) 7.353 13.334 ( -1.607 2.723 7.810) 8.426 13.342 ( -0.158 1.405 -9.144) 9.253 13.461 ( 0.580 -4.369 -1.137) 4.551 13.484 ( 0.754 -0.469 0.914) 1.274 14.001 ( -0.524 -3.101 -0.378) 3.168 14.137 ( 1.428 -5.744 2.387) 6.382 14.365 ( 0.616 5.200 3.129) 6.100 14.520 ( 3.819 0.880 -3.714) 5.399 15.378 ( -1.209 -2.934 2.443) 4.004 15.388 ( -0.532 -2.836 -2.491) 3.812 16.333 ( -1.731 3.048 5.428) 6.461 16.370 ( -0.174 1.635 -5.518) 5.758 16.593 ( -0.533 -1.906 -11.111) 11.286 16.646 ( -1.260 -2.898 10.184) 10.663 24.483 ( -0.582 -0.167 1.108) 1.263 24.487 ( -0.296 -0.195 -1.291) 1.339 24.662 ( -0.045 0.724 0.061) 0.728 24.666 ( 0.045 0.664 0.091) 0.671 26.008 ( -0.534 -1.514 -1.070) 1.929 26.082 ( -0.015 -3.536 1.233) 3.745 26.277 ( 1.865 2.223 -2.568) 3.875 26.343 ( 2.106 0.832 1.587) 2.765 26.780 ( 0.492 0.324 -6.260) 6.287 26.788 ( -0.411 0.033 6.680) 6.693 27.152 ( 1.434 3.917 -8.042) 9.059 27.170 ( 0.426 3.365 8.901) 9.526 28.830 ( 0.774 -0.639 4.869) 4.972 28.837 ( 1.737 -0.881 -4.223) 4.650 29.538 ( -2.149 -3.056 -4.277) 5.679 29.562 ( -2.220 -3.372 3.231) 5.170 ======================= Grid point 150 (74/80) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 1.821 9.195 9.344) 13.236 1.583 ( -3.209 6.629 -12.072) 14.141 1.660 ( 9.661 5.974 -6.889) 13.284 1.745 ( 6.397 8.963 0.511) 11.023 1.842 ( -4.598 3.018 2.923) 6.229 1.915 ( -5.158 8.274 0.996) 9.801 2.014 ( 1.959 4.875 0.843) 5.321 2.035 ( 0.615 8.521 -0.235) 8.547 2.242 ( 3.441 2.549 0.014) 4.283 2.278 ( 1.298 7.175 -0.547) 7.312 2.331 ( -3.319 3.357 -5.276) 7.080 2.396 ( -8.990 8.480 -0.140) 12.359 2.585 ( 1.959 3.175 -8.048) 8.870 2.661 ( -5.685 2.736 11.029) 12.706 2.767 ( 3.777 -0.455 3.746) 5.339 2.865 ( -4.785 -1.664 -2.714) 5.747 2.978 ( 0.246 -2.690 1.408) 3.046 2.991 ( -0.495 -2.800 -0.119) 2.846 3.153 ( 1.766 -3.129 -1.037) 3.740 3.185 ( 0.042 -3.421 1.046) 3.578 3.251 ( 4.375 0.447 3.166) 5.418 3.334 ( -3.390 -1.357 -0.916) 3.764 3.419 ( 0.612 -3.411 2.317) 4.168 3.467 ( -1.624 0.138 1.644) 2.315 3.563 ( -0.332 3.354 1.174) 3.569 3.591 ( -2.107 1.096 -0.311) 2.395 3.744 ( 1.976 0.177 -1.580) 2.537 3.778 ( -1.606 3.957 0.378) 4.287 3.954 ( 3.906 8.343 -1.520) 9.337 4.011 ( -1.607 8.320 0.503) 8.488 4.105 ( 3.829 3.123 3.580) 6.101 4.171 ( -1.370 5.326 -3.420) 6.476 4.409 ( 3.335 7.185 -3.689) 8.738 4.466 ( -2.071 7.096 3.079) 8.008 4.827 ( 2.562 13.989 -11.599) 18.352 4.852 ( -1.567 14.292 11.799) 18.600 5.132 ( 2.917 1.640 1.570) 3.696 5.179 ( -0.756 1.052 -1.668) 2.112 5.530 ( 2.530 -5.338 -5.596) 8.137 5.583 ( -2.781 -6.038 5.617) 8.703 6.255 ( 1.000 3.449 1.767) 4.002 6.277 ( -0.571 3.356 -2.564) 4.262 6.560 ( 2.702 -3.677 -0.523) 4.593 6.600 ( -0.928 -5.381 -0.085) 5.461 6.904 ( 2.832 -4.284 2.132) 5.560 6.932 ( 0.533 -5.072 -1.614) 5.349 7.265 ( 0.967 -0.123 2.809) 2.973 7.286 ( -0.396 -0.614 -2.278) 2.393 7.506 ( 1.228 1.965 -0.172) 2.324 7.532 ( -0.965 1.628 0.333) 1.922 7.710 ( 0.387 4.429 2.713) 5.209 7.728 ( -0.533 4.062 -3.076) 5.123 7.776 ( 1.753 0.472 -4.071) 4.458 7.813 ( -1.710 -0.171 2.740) 3.234 8.658 ( 3.097 -4.880 -0.384) 5.792 8.709 ( -0.862 -5.792 1.070) 5.953 9.031 ( -1.601 -1.991 -2.016) 3.255 9.044 ( -2.818 -2.147 3.068) 4.686 9.313 ( -0.133 -3.674 -1.992) 4.181 9.339 ( -2.609 -4.938 0.773) 5.638 10.556 ( 0.560 -4.533 3.541) 5.779 10.572 ( -0.196 -4.762 -3.617) 5.983 11.321 ( -0.978 -1.455 11.683) 11.813 11.327 ( 0.359 -1.443 -11.628) 11.723 12.663 ( 1.758 -2.511 -6.417) 7.111 12.678 ( -0.593 -2.257 6.791) 7.180 13.320 ( -0.781 3.236 6.254) 7.085 13.324 ( -0.075 2.332 -6.940) 7.322 13.476 ( 0.967 -4.218 -1.577) 4.606 13.489 ( -0.440 -2.196 1.358) 2.619 14.027 ( 2.898 -4.688 -1.405) 5.688 14.098 ( -3.954 -5.895 2.393) 7.491 14.461 ( 5.705 3.462 4.336) 7.958 14.545 ( -1.158 1.284 -4.475) 4.798 15.362 ( -0.575 -2.709 2.772) 3.918 15.368 ( -0.668 -2.664 -2.813) 3.931 16.319 ( -0.297 3.405 5.683) 6.632 16.341 ( -1.234 2.570 -5.837) 6.496 16.590 ( 1.901 -1.617 -10.728) 11.015 16.621 ( -2.570 -2.183 10.257) 10.797 24.476 ( -0.240 -0.160 1.085) 1.123 24.478 ( -0.274 -0.183 -1.207) 1.251 24.663 ( 0.118 0.639 0.102) 0.658 24.666 ( -0.108 0.599 -0.005) 0.609 26.018 ( 1.503 -2.481 -1.058) 3.087 26.056 ( -2.097 -3.364 1.089) 4.111 26.332 ( 2.928 1.462 -2.444) 4.084 26.365 ( -0.430 0.956 1.936) 2.201 26.783 ( 0.759 0.002 -6.132) 6.179 26.788 ( -0.677 -0.160 6.379) 6.417 27.174 ( 1.863 3.354 -9.446) 10.195 27.185 ( -0.676 3.001 9.986) 10.449 28.856 ( 0.734 -1.416 4.614) 4.882 28.862 ( 1.009 -1.619 -4.140) 4.558 29.498 ( -0.484 -1.540 -4.049) 4.359 29.514 ( -2.375 -1.778 3.321) 4.454 ======================= Grid point 153 (75/80) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.375 5.944 -9.226) 10.982 1.512 ( -0.375 5.944 9.226) 10.982 1.791 ( -1.923 0.933 -3.162) 3.816 1.791 ( 1.923 0.933 3.162) 3.816 2.007 ( 2.815 6.398 -5.886) 9.139 2.007 ( -2.815 6.398 5.886) 9.139 2.151 ( -4.960 7.630 -4.577) 10.186 2.151 ( 4.960 7.630 4.577) 10.186 2.215 ( 1.921 -0.251 -7.882) 8.117 2.215 ( -1.921 -0.251 7.882) 8.117 2.546 ( -3.351 -0.471 -6.521) 7.347 2.546 ( 3.351 -0.471 6.521) 7.347 2.791 ( -2.423 -1.656 -4.610) 5.465 2.791 ( 2.423 -1.656 4.610) 5.465 2.867 ( -0.212 -0.246 -2.435) 2.457 2.867 ( 0.212 -0.246 2.435) 2.457 3.004 ( 0.265 3.315 -2.053) 3.908 3.004 ( -0.265 3.315 2.053) 3.908 3.129 ( 0.597 -0.741 -2.633) 2.800 3.129 ( -0.597 -0.741 2.633) 2.800 3.387 ( -0.100 1.322 -5.866) 6.014 3.387 ( 0.100 1.322 5.866) 6.014 3.459 ( -5.863 3.827 -2.734) 7.516 3.459 ( 5.863 3.827 2.734) 7.516 3.673 ( -0.023 2.183 -3.513) 4.136 3.673 ( 0.023 2.183 3.513) 4.136 3.782 ( -7.443 1.168 -0.111) 7.535 3.782 ( 7.443 1.168 0.111) 7.535 3.979 ( 0.573 3.593 -2.594) 4.469 3.979 ( -0.573 3.593 2.594) 4.469 4.105 ( -1.115 -0.725 -5.111) 5.281 4.105 ( 1.115 -0.725 5.111) 5.281 4.575 ( -0.483 9.365 -3.474) 10.000 4.575 ( 0.483 9.365 3.474) 10.000 5.037 ( -0.144 6.623 -4.549) 8.036 5.037 ( 0.144 6.623 4.549) 8.036 5.182 ( -0.167 4.852 -4.557) 6.658 5.182 ( 0.167 4.852 4.557) 6.658 5.481 ( -1.321 -2.834 -1.725) 3.571 5.481 ( 1.321 -2.834 1.725) 3.571 6.294 ( 0.125 1.513 -1.675) 2.261 6.294 ( -0.125 1.513 1.675) 2.261 6.470 ( -0.745 -3.601 -1.073) 3.830 6.470 ( 0.745 -3.601 1.073) 3.830 6.771 ( 1.130 -1.504 -3.308) 3.806 6.771 ( -1.130 -1.504 3.308) 3.806 7.249 ( 0.159 -1.753 -3.340) 3.775 7.249 ( -0.159 -1.753 3.340) 3.775 7.540 ( 1.156 1.858 -13.638) 13.813 7.540 ( -1.156 1.858 13.638) 13.813 7.700 ( -0.094 -3.174 -8.297) 8.884 7.700 ( 0.094 -3.174 8.297) 8.884 7.914 ( 1.098 6.067 -5.020) 7.951 7.914 ( -1.098 6.067 5.020) 7.951 8.590 ( 0.043 -1.211 -4.913) 5.060 8.590 ( -0.043 -1.211 4.913) 5.060 9.025 ( 0.359 -6.007 -5.105) 7.891 9.025 ( -0.359 -6.007 5.105) 7.891 9.288 ( -0.296 -3.954 -1.560) 4.261 9.288 ( 0.296 -3.954 1.560) 4.261 10.453 ( 0.585 -4.127 -3.036) 5.157 10.453 ( -0.585 -4.127 3.036) 5.157 11.333 ( 0.795 0.341 -6.953) 7.007 11.333 ( -0.795 0.341 6.953) 7.007 12.601 ( -0.268 -1.833 -4.660) 5.015 12.601 ( 0.268 -1.833 4.660) 5.015 13.242 ( 0.716 -5.445 -7.448) 9.254 13.242 ( -0.716 -5.445 7.448) 9.254 13.575 ( -0.511 6.210 -1.986) 6.540 13.575 ( 0.511 6.210 1.986) 6.540 14.002 ( -2.491 -2.722 -0.572) 3.734 14.002 ( 2.491 -2.722 0.572) 3.734 14.466 ( 2.545 2.001 -2.458) 4.065 14.466 ( -2.545 2.001 2.458) 4.065 15.334 ( 0.296 -2.654 -2.295) 3.521 15.334 ( -0.296 -2.654 2.295) 3.521 16.406 ( 0.942 2.293 -5.699) 6.214 16.406 ( -0.942 2.293 5.699) 6.214 16.578 ( -0.137 -2.536 -9.349) 9.687 16.578 ( 0.137 -2.536 9.349) 9.687 24.488 ( 0.146 -0.118 -0.864) 0.884 24.488 ( -0.146 -0.118 0.864) 0.884 24.676 ( -0.020 0.420 -0.189) 0.460 24.676 ( 0.020 0.420 0.189) 0.460 26.017 ( -0.699 -1.067 -1.467) 1.944 26.017 ( 0.699 -1.067 1.467) 1.944 26.306 ( -0.941 0.388 -1.002) 1.429 26.306 ( 0.941 0.388 1.002) 1.429 26.801 ( 0.274 1.132 -4.521) 4.669 26.801 ( -0.274 1.132 4.521) 4.669 27.203 ( 0.290 1.645 -6.274) 6.493 27.203 ( -0.290 1.645 6.274) 6.493 28.814 ( 0.305 -0.146 -3.004) 3.023 28.814 ( -0.305 -0.146 3.004) 3.023 29.516 ( -0.012 -1.994 -3.400) 3.942 29.516 ( 0.012 -1.994 3.400) 3.942 ======================= Grid point 155 (76/80) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 5.666 4.275 -12.381) 14.271 1.585 ( 5.802 5.893 4.320) 9.330 1.745 ( -1.925 3.886 -1.545) 4.604 1.858 ( 1.726 3.624 -0.340) 4.028 1.915 ( -0.768 2.431 0.086) 2.550 2.026 ( -6.209 1.212 3.824) 7.392 2.092 ( 0.996 4.342 -2.829) 5.277 2.189 ( 0.144 5.116 1.767) 5.415 2.249 ( 2.824 2.035 -5.464) 6.478 2.284 ( 5.799 6.907 2.008) 9.239 2.477 ( -2.261 1.675 -4.271) 5.115 2.630 ( 3.034 0.022 4.727) 5.617 2.680 ( -5.004 0.842 -0.700) 5.122 2.754 ( -4.549 0.300 0.101) 4.560 2.846 ( -2.921 1.516 1.161) 3.490 2.896 ( 1.332 -1.142 1.687) 2.434 2.984 ( -2.050 2.866 -0.315) 3.538 3.008 ( -2.318 2.307 1.060) 3.438 3.097 ( -2.113 -2.582 4.628) 5.705 3.115 ( -1.202 -2.296 0.037) 2.592 3.288 ( -5.482 4.532 -1.981) 7.383 3.383 ( -1.845 -0.607 -3.294) 3.824 3.390 ( -0.182 2.742 5.053) 5.752 3.574 ( 1.960 1.228 3.692) 4.357 3.613 ( -4.430 -1.915 -1.892) 5.183 3.638 ( -2.246 -2.183 -6.138) 6.891 3.654 ( -3.154 4.362 5.814) 7.923 3.849 ( -2.487 -3.134 -1.626) 4.319 4.028 ( 6.006 9.349 1.505) 11.214 4.039 ( 5.835 2.305 3.617) 7.242 4.100 ( 2.712 1.625 -1.012) 3.320 4.229 ( 5.113 1.561 -1.494) 5.551 4.561 ( 0.152 10.258 -0.745) 10.286 4.606 ( 1.156 7.605 3.066) 8.281 5.052 ( 2.537 8.541 -8.429) 12.265 5.074 ( 2.239 6.903 2.659) 7.729 5.157 ( -0.559 4.672 -0.177) 4.709 5.206 ( 0.844 2.562 -0.810) 2.817 5.447 ( -1.415 -1.448 -1.461) 2.497 5.496 ( -0.503 -3.972 3.267) 5.168 6.287 ( 0.557 2.013 -0.040) 2.089 6.317 ( 0.977 1.126 -0.461) 1.560 6.468 ( 0.866 -2.728 -1.263) 3.128 6.494 ( 0.962 -4.356 1.629) 4.749 6.789 ( 2.200 -0.990 3.296) 4.084 6.813 ( 2.830 -2.504 -2.023) 4.286 7.240 ( -0.163 -1.646 -1.215) 2.052 7.256 ( 0.077 -2.339 0.337) 2.365 7.531 ( -0.290 1.913 1.437) 2.410 7.554 ( 0.511 1.000 -1.528) 1.896 7.692 ( 0.826 -2.490 -8.094) 8.509 7.717 ( 0.121 -3.367 7.448) 8.175 7.888 ( -1.854 6.434 4.386) 8.004 7.911 ( -0.533 5.394 -5.562) 7.766 8.578 ( 0.197 -0.544 -0.757) 0.953 8.616 ( 0.938 -2.442 1.817) 3.185 8.999 ( -2.055 -5.531 1.035) 5.991 9.011 ( -1.590 -5.735 0.037) 5.952 9.268 ( -0.981 -2.692 -2.338) 3.698 9.281 ( -1.105 -3.820 1.482) 4.244 10.456 ( 0.542 -3.580 2.199) 4.236 10.470 ( 1.161 -4.282 -2.076) 4.898 11.321 ( -1.287 0.405 6.395) 6.536 11.329 ( -0.084 0.079 -6.654) 6.655 12.600 ( 0.906 -1.591 -4.028) 4.424 12.621 ( 0.619 -2.349 4.626) 5.225 13.240 ( -0.617 -5.182 6.829) 8.595 13.243 ( 0.574 -5.504 -7.104) 9.006 13.558 ( -0.083 7.029 -1.375) 7.163 13.599 ( 0.703 6.271 0.142) 6.312 13.943 ( -2.224 -2.403 0.041) 3.275 14.024 ( -1.101 -5.603 1.269) 5.849 14.459 ( 1.872 4.215 2.139) 5.084 14.531 ( 3.276 0.206 -2.732) 4.271 15.323 ( -0.842 -2.370 1.351) 2.855 15.332 ( -0.429 -2.622 -1.020) 2.846 16.394 ( -1.014 2.975 5.362) 6.215 16.408 ( 0.196 2.153 -5.913) 6.296 16.555 ( -0.250 -1.832 -7.896) 8.110 16.586 ( -0.908 -3.097 7.985) 8.613 24.481 ( -0.483 -0.033 0.572) 0.749 24.484 ( -0.311 -0.144 -0.852) 0.918 24.674 ( -0.081 0.458 0.056) 0.469 24.676 ( -0.034 0.339 0.161) 0.377 25.990 ( -0.884 -0.320 -0.492) 1.061 26.026 ( -0.598 -2.247 0.932) 2.505 26.309 ( 1.585 1.154 -1.123) 2.259 26.343 ( 1.872 -0.608 0.274) 1.987 26.799 ( 0.212 1.217 -3.861) 4.054 26.802 ( -0.372 1.023 4.145) 4.286 27.206 ( 0.962 1.726 -5.348) 5.701 27.215 ( 0.231 1.263 5.635) 5.779 28.821 ( 0.526 -0.269 2.117) 2.198 28.824 ( 0.932 -0.456 -1.819) 2.094 29.496 ( -1.060 -1.232 -2.315) 2.828 29.510 ( -1.113 -1.896 1.902) 2.908 ======================= Grid point 156 (77/80) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 3.867 4.806 -7.597) 9.786 1.701 ( -2.177 5.675 1.062) 6.170 1.740 ( 7.874 2.378 -2.260) 8.530 1.857 ( -3.698 0.821 4.996) 6.270 1.888 ( 1.480 4.650 -2.107) 5.316 1.992 ( -3.660 0.371 1.949) 4.164 2.064 ( 2.717 1.614 -3.250) 4.533 2.157 ( -4.134 1.346 2.499) 5.014 2.338 ( 5.269 6.553 -1.784) 8.596 2.388 ( 2.178 5.526 -2.285) 6.364 2.456 ( 2.387 7.877 -0.042) 8.231 2.566 ( -5.481 7.463 -0.883) 9.301 2.670 ( 0.198 4.257 -4.812) 6.428 2.710 ( -1.632 -0.723 9.290) 9.460 2.798 ( -0.109 3.751 1.799) 4.162 2.869 ( -4.207 1.107 -1.827) 4.718 2.933 ( -0.612 -0.872 0.845) 1.360 2.945 ( -1.525 -0.299 -0.366) 1.596 3.061 ( -1.288 -5.707 3.807) 6.980 3.091 ( -2.494 -5.729 -1.323) 6.387 3.254 ( 1.720 0.910 1.746) 2.614 3.319 ( -3.493 -0.877 -2.818) 4.573 3.412 ( 2.464 1.632 4.848) 5.677 3.501 ( -4.684 0.592 -4.711) 6.669 3.576 ( -0.472 -0.258 7.302) 7.322 3.597 ( -1.219 0.425 -5.630) 5.776 3.697 ( 3.648 -3.037 2.406) 5.321 3.774 ( -3.666 -3.150 -1.700) 5.123 4.115 ( 3.136 6.565 -1.946) 7.531 4.139 ( 0.660 6.221 1.995) 6.566 4.196 ( 5.920 3.783 2.503) 7.458 4.270 ( -0.781 3.221 -2.323) 4.048 4.582 ( 1.854 9.489 -0.417) 9.678 4.615 ( -0.969 7.701 2.055) 8.030 5.091 ( 2.379 10.668 -10.137) 14.907 5.107 ( -0.303 9.055 7.014) 11.457 5.172 ( 1.849 2.023 1.021) 2.925 5.208 ( -0.762 1.164 -1.559) 2.089 5.437 ( 1.152 -2.383 -3.771) 4.607 5.471 ( -2.300 -3.925 4.641) 6.499 6.309 ( 1.275 2.184 -0.208) 2.537 6.326 ( -0.179 1.740 -0.134) 1.754 6.491 ( 1.354 -3.166 -1.975) 3.970 6.506 ( -0.278 -4.070 2.547) 4.809 6.844 ( 1.951 -1.785 2.212) 3.448 6.856 ( 1.176 -2.543 -1.693) 3.274 7.242 ( 0.574 -2.272 -1.637) 2.859 7.252 ( -0.548 -2.720 1.132) 2.996 7.534 ( 0.344 1.284 2.015) 2.413 7.549 ( -0.564 0.572 -2.123) 2.270 7.707 ( 1.722 -2.209 -7.816) 8.303 7.723 ( -0.895 -2.808 7.370) 7.937 7.869 ( -0.514 5.908 4.725) 7.583 7.884 ( -0.903 5.159 -5.415) 7.534 8.596 ( 1.542 -1.295 -1.174) 2.331 8.622 ( -0.803 -2.713 1.827) 3.368 8.964 ( -1.120 -4.562 2.784) 5.460 8.973 ( -1.424 -4.887 -2.150) 5.526 9.252 ( -0.027 -2.045 -2.682) 3.373 9.259 ( -1.054 -2.682 2.179) 3.613 10.475 ( 0.729 -3.394 2.129) 4.072 10.484 ( 0.306 -3.806 -2.052) 4.335 11.310 ( -0.779 0.165 6.637) 6.685 11.314 ( -0.075 -0.024 -6.799) 6.799 12.619 ( 1.340 -1.935 -3.935) 4.585 12.632 ( -0.426 -2.395 4.316) 4.955 13.240 ( -0.492 -5.063 6.839) 8.523 13.242 ( 0.462 -5.241 -7.016) 8.769 13.569 ( 1.248 7.538 -1.326) 7.755 13.595 ( -1.101 7.283 0.617) 7.391 13.932 ( 1.198 -4.684 -0.699) 4.885 13.977 ( -2.988 -6.153 1.411) 6.984 14.525 ( 3.176 2.887 2.478) 4.956 14.565 ( 0.066 0.682 -2.807) 2.889 15.312 ( -0.315 -2.110 1.595) 2.664 15.318 ( -0.558 -2.301 -1.382) 2.741 16.387 ( -0.392 3.348 5.342) 6.316 16.396 ( -0.264 2.929 -5.703) 6.416 16.551 ( 1.186 -2.153 -7.676) 8.060 16.571 ( -1.730 -2.858 7.753) 8.443 24.474 ( -0.221 -0.014 0.593) 0.633 24.476 ( -0.258 -0.085 -0.767) 0.814 24.673 ( 0.042 0.397 0.017) 0.400 24.675 ( -0.110 0.323 0.117) 0.361 25.986 ( 0.494 -0.914 -0.582) 1.191 26.004 ( -1.301 -1.905 0.799) 2.441 26.348 ( 1.854 0.362 -0.885) 2.086 26.366 ( 0.107 -0.540 0.418) 0.691 26.798 ( 0.368 1.157 -3.777) 3.967 26.800 ( -0.432 1.041 3.955) 4.113 27.219 ( 1.079 1.380 -6.001) 6.252 27.225 ( -0.344 1.093 6.177) 6.283 28.836 ( 0.407 -0.681 2.120) 2.263 28.838 ( 0.556 -0.819 -1.921) 2.161 29.477 ( -0.183 -0.621 -2.061) 2.161 29.486 ( -1.215 -1.051 1.792) 2.407 ======================= Grid point 159 (78/80) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.000 0.000 0.000) 0.000 1.583 ( -0.000 0.000 0.000) 0.000 1.780 ( -0.000 0.000 0.000) 0.000 1.780 ( -0.000 0.000 0.000) 0.000 2.111 ( 0.000 -0.000 -0.000) 0.000 2.111 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 -0.000 -0.000) 0.000 2.133 ( -0.000 0.000 0.000) 0.000 2.324 ( -0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.046 ( -0.000 0.000 0.000) 0.000 3.108 ( -0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.401 ( -0.000 0.000 0.000) 0.000 3.401 ( -0.000 0.000 0.000) 0.000 3.499 ( 0.000 0.000 -0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.698 ( -0.000 0.000 0.000) 0.000 3.698 ( -0.000 0.000 0.000) 0.000 3.789 ( -0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 -0.000 -0.000) 0.000 4.038 ( -0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 -0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.687 ( -0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 -0.000) 0.000 5.093 ( -0.000 0.000 0.000) 0.000 5.211 ( -0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.482 ( -0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 6.310 ( -0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.427 ( -0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.761 ( -0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 7.224 ( -0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 -0.000 -0.000) 0.000 7.568 ( 0.000 0.000 -0.000) 0.000 7.654 ( -0.000 0.000 0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 7.982 ( -0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 8.584 ( -0.000 0.000 0.000) 0.000 8.584 ( 0.000 0.000 0.000) 0.000 8.948 ( -0.000 -0.000 -0.000) 0.000 8.948 ( -0.000 0.000 0.000) 0.000 9.254 ( -0.000 0.000 0.000) 0.000 9.254 ( -0.000 0.000 0.000) 0.000 10.410 ( -0.000 0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 11.339 ( 0.000 0.000 0.000) 0.000 11.339 ( -0.000 0.000 0.000) 0.000 12.580 ( 0.000 0.000 0.000) 0.000 12.580 ( -0.000 0.000 0.000) 0.000 13.189 ( 0.000 0.000 0.000) 0.000 13.189 ( 0.000 0.000 0.000) 0.000 13.641 ( -0.000 0.000 0.000) 0.000 13.641 ( -0.000 0.000 0.000) 0.000 13.970 ( -0.000 0.000 0.000) 0.000 13.970 ( 0.000 0.000 0.000) 0.000 14.489 ( -0.000 0.000 0.000) 0.000 14.489 ( -0.000 0.000 0.000) 0.000 15.306 ( -0.000 0.000 0.000) 0.000 15.306 ( 0.000 0.000 0.000) 0.000 16.434 ( -0.000 0.000 -0.000) 0.000 16.434 ( 0.000 0.000 0.000) 0.000 16.548 ( 0.000 0.000 -0.000) 0.000 16.548 ( -0.000 0.000 0.000) 0.000 24.486 ( -0.000 0.000 0.000) 0.000 24.486 ( 0.000 0.000 0.000) 0.000 24.680 ( -0.000 0.000 0.000) 0.000 24.680 ( 0.000 0.000 0.000) 0.000 26.006 ( -0.000 0.000 0.000) 0.000 26.006 ( 0.000 0.000 0.000) 0.000 26.309 ( 0.000 0.000 -0.000) 0.000 26.309 ( -0.000 0.000 0.000) 0.000 26.814 ( -0.000 0.000 0.000) 0.000 26.814 ( 0.000 0.000 0.000) 0.000 27.218 ( -0.000 0.000 0.000) 0.000 27.218 ( 0.000 0.000 0.000) 0.000 28.812 ( 0.000 0.000 0.000) 0.000 28.812 ( -0.000 0.000 0.000) 0.000 29.497 ( 0.000 0.000 0.000) 0.000 29.497 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 163 (79/80) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 4.204 -1.593 -6.097) 7.575 1.625 ( 4.204 1.593 -6.097) 7.575 1.824 ( 3.849 -4.350 -0.856) 5.871 1.824 ( 3.849 4.350 -0.856) 5.871 1.993 ( -7.113 -3.537 5.728) 9.793 1.993 ( -7.113 3.537 5.728) 9.793 2.165 ( -0.197 -4.003 -4.282) 5.865 2.165 ( -0.197 4.003 -4.282) 5.865 2.368 ( 3.980 -4.507 -2.784) 6.626 2.368 ( 3.980 4.507 -2.784) 6.626 2.527 ( 3.292 -7.165 2.442) 8.255 2.527 ( 3.292 7.165 2.442) 8.255 2.716 ( -3.075 -2.855 1.774) 4.556 2.716 ( -3.075 2.855 1.774) 4.556 2.887 ( -1.276 -1.897 3.282) 4.000 2.887 ( -1.276 1.897 3.282) 4.000 3.027 ( -0.680 -0.662 -3.970) 4.082 3.027 ( -0.680 0.662 -3.970) 4.082 3.077 ( -4.119 -0.518 4.159) 5.876 3.077 ( -4.119 0.518 4.159) 5.876 3.359 ( -3.982 -2.373 -3.698) 5.930 3.359 ( -3.982 2.373 -3.698) 5.930 3.487 ( -1.015 -6.007 3.656) 7.105 3.487 ( -1.015 6.007 3.656) 7.105 3.609 ( -3.966 -0.365 -1.464) 4.243 3.609 ( -3.966 0.365 -1.464) 4.243 3.766 ( -3.334 -5.267 0.931) 6.302 3.766 ( -3.334 5.267 0.931) 6.302 4.081 ( 5.648 -1.737 1.412) 6.076 4.081 ( 5.648 1.737 1.412) 6.076 4.190 ( 6.000 -5.271 0.219) 7.990 4.190 ( 6.000 5.271 0.219) 7.990 4.692 ( 0.381 -1.126 0.699) 1.379 4.692 ( 0.381 1.126 0.699) 1.379 5.125 ( 3.127 -0.885 -3.263) 4.605 5.125 ( 3.127 0.885 -3.263) 4.605 5.203 ( -0.518 -1.436 -1.115) 1.891 5.203 ( -0.518 1.436 -1.115) 1.891 5.473 ( -1.022 -0.979 1.393) 1.986 5.473 ( -1.022 0.979 1.393) 1.986 6.318 ( 0.848 -1.024 0.062) 1.331 6.318 ( 0.848 1.024 0.062) 1.331 6.441 ( 1.045 -0.686 0.475) 1.337 6.441 ( 1.045 0.686 0.475) 1.337 6.788 ( 2.225 -0.540 0.453) 2.334 6.788 ( 2.225 0.540 0.453) 2.334 7.220 ( -0.336 -0.529 -0.547) 0.832 7.220 ( -0.336 0.529 -0.547) 0.832 7.563 ( -0.293 -0.730 -1.381) 1.589 7.563 ( -0.293 0.730 -1.381) 1.589 7.664 ( 0.820 -0.863 1.064) 1.596 7.664 ( 0.820 0.863 1.064) 1.596 7.965 ( -1.381 -0.643 -0.583) 1.631 7.965 ( -1.381 0.643 -0.583) 1.631 8.589 ( 0.341 -0.962 0.512) 1.141 8.589 ( 0.341 0.962 0.512) 1.141 8.933 ( -1.334 -0.394 0.366) 1.438 8.933 ( -1.334 0.394 0.366) 1.438 9.246 ( -0.613 -0.206 -0.177) 0.671 9.246 ( -0.613 0.206 -0.177) 0.671 10.422 ( 1.001 -0.402 0.116) 1.085 10.422 ( 1.001 0.402 0.116) 1.085 11.330 ( -0.769 -0.210 -0.225) 0.829 11.330 ( -0.769 0.210 -0.225) 0.829 12.588 ( 0.651 -0.616 0.244) 0.929 12.588 ( 0.651 0.616 0.244) 0.929 13.189 ( 0.031 -0.074 0.016) 0.082 13.189 ( 0.031 0.074 0.016) 0.082 13.651 ( 0.976 -1.572 -0.723) 1.986 13.651 ( 0.976 1.572 -0.723) 1.986 13.938 ( -2.744 -2.509 0.611) 3.768 13.938 ( -2.744 2.509 0.611) 3.768 14.519 ( 2.494 -1.788 -0.336) 3.087 14.519 ( 2.494 1.788 -0.336) 3.087 15.301 ( -0.480 -0.279 0.231) 0.601 15.301 ( -0.480 0.279 0.231) 0.601 16.433 ( -0.021 -0.451 -0.784) 0.905 16.433 ( -0.021 0.451 -0.784) 0.905 16.540 ( -0.706 -1.015 0.651) 1.397 16.540 ( -0.706 1.015 0.651) 1.397 24.482 ( -0.369 -0.081 -0.159) 0.410 24.482 ( -0.369 0.081 -0.159) 0.410 24.679 ( -0.077 -0.076 0.119) 0.161 24.679 ( -0.077 0.076 0.119) 0.161 25.996 ( -0.841 -0.885 0.247) 1.245 25.996 ( -0.841 0.885 0.247) 1.245 26.328 ( 1.551 -0.886 -0.367) 1.824 26.328 ( 1.551 0.886 -0.367) 1.824 26.813 ( -0.076 -0.079 0.107) 0.153 26.813 ( -0.076 0.079 0.107) 0.153 27.224 ( 0.475 -0.202 0.045) 0.518 27.224 ( 0.475 0.202 0.045) 0.518 28.819 ( 0.548 -0.076 0.101) 0.563 28.819 ( 0.548 0.076 0.101) 0.563 29.488 ( -0.744 -0.351 -0.104) 0.829 29.488 ( -0.744 0.351 -0.104) 0.829 ======================= Grid point 165 (80/80) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 4.964 -2.131 -9.369) 10.815 1.711 ( 4.964 2.131 -9.369) 10.815 1.826 ( -5.291 -4.071 9.170) 11.342 1.826 ( -5.291 4.071 9.170) 11.342 1.964 ( 4.548 -3.137 -2.544) 6.083 1.964 ( 4.548 3.137 -2.544) 6.083 2.119 ( -3.434 -3.608 -1.078) 5.096 2.119 ( -3.434 3.608 -1.077) 5.096 2.430 ( 1.571 -1.920 0.276) 2.496 2.430 ( 1.571 1.920 0.276) 2.496 2.615 ( 4.961 -7.280 -2.247) 9.092 2.615 ( 4.961 7.280 -2.247) 9.092 2.684 ( -0.980 -3.338 2.469) 4.266 2.684 ( -0.980 3.338 2.469) 4.266 2.854 ( -1.697 -2.498 1.611) 3.422 2.854 ( -1.697 2.498 1.611) 3.422 2.970 ( -3.671 -3.421 4.781) 6.931 2.970 ( -3.671 3.421 4.781) 6.931 2.994 ( -3.274 -3.756 -3.578) 6.134 2.994 ( -3.274 3.756 -3.578) 6.134 3.294 ( -0.860 -2.409 -0.588) 2.624 3.294 ( -0.860 2.409 -0.588) 2.624 3.446 ( -2.225 -3.136 -0.265) 3.854 3.446 ( -2.225 3.136 -0.265) 3.854 3.606 ( 2.047 -2.409 0.618) 3.221 3.606 ( 2.047 2.409 0.618) 3.221 3.694 ( -3.043 -4.130 0.233) 5.135 3.694 ( -3.043 4.130 0.233) 5.135 4.197 ( 4.264 -2.044 0.484) 4.753 4.197 ( 4.264 2.044 0.484) 4.753 4.261 ( 0.767 -3.719 -0.021) 3.797 4.261 ( 0.767 3.719 -0.021) 3.797 4.704 ( 0.463 -0.848 0.729) 1.211 4.704 ( 0.463 0.848 0.729) 1.211 5.175 ( 0.776 -0.895 -0.468) 1.273 5.175 ( 0.776 0.895 -0.468) 1.273 5.200 ( 1.115 -1.784 -2.581) 3.330 5.200 ( 1.115 1.784 -2.581) 3.330 5.450 ( -1.033 -0.797 1.226) 1.790 5.450 ( -1.033 0.797 1.226) 1.790 6.339 ( 0.803 -0.590 -0.035) 0.996 6.339 ( 0.803 0.590 -0.035) 0.996 6.458 ( 0.435 -0.378 0.438) 0.725 6.458 ( 0.435 0.378 0.438) 0.725 6.831 ( 1.409 -0.264 0.222) 1.451 6.831 ( 1.409 0.264 0.222) 1.451 7.212 ( -0.228 -0.349 -0.321) 0.526 7.212 ( -0.228 0.349 -0.321) 0.526 7.555 ( -0.197 -0.411 -0.747) 0.875 7.555 ( -0.197 0.411 -0.747) 0.875 7.682 ( 0.520 -0.476 0.518) 0.874 7.682 ( 0.520 0.476 0.518) 0.874 7.938 ( -0.865 -0.403 -0.360) 1.020 7.938 ( -0.865 0.403 -0.360) 1.020 8.596 ( 0.251 -0.640 0.310) 0.754 8.596 ( 0.251 0.640 0.310) 0.754 8.907 ( -0.930 -0.281 0.233) 0.999 8.907 ( -0.930 0.281 0.233) 0.999 9.235 ( -0.330 -0.111 -0.113) 0.366 9.235 ( -0.330 0.111 -0.113) 0.366 10.442 ( 0.617 -0.242 0.073) 0.666 10.442 ( 0.617 0.242 0.073) 0.666 11.315 ( -0.484 -0.128 -0.139) 0.519 11.315 ( -0.484 0.128 -0.139) 0.519 12.601 ( 0.400 -0.383 0.153) 0.574 12.601 ( 0.400 0.383 0.153) 0.574 13.190 ( 0.021 -0.046 0.010) 0.051 13.190 ( 0.021 0.046 0.010) 0.051 13.671 ( 0.802 -1.249 -0.534) 1.578 13.671 ( 0.802 1.249 -0.534) 1.578 13.887 ( -1.741 -1.708 0.440) 2.478 13.887 ( -1.741 1.708 0.440) 2.478 14.564 ( 1.412 -1.001 -0.188) 1.741 14.564 ( 1.412 1.001 -0.188) 1.741 15.291 ( -0.328 -0.186 0.147) 0.404 15.291 ( -0.328 0.186 0.147) 0.404 16.431 ( 0.024 -0.342 -0.536) 0.637 16.431 ( 0.024 0.342 -0.536) 0.637 16.527 ( -0.470 -0.684 0.455) 0.946 16.527 ( -0.470 0.684 0.455) 0.946 24.475 ( -0.225 -0.050 -0.097) 0.251 24.475 ( -0.225 0.050 -0.097) 0.251 24.678 ( -0.047 -0.047 0.072) 0.098 24.678 ( -0.047 0.047 0.072) 0.098 25.982 ( -0.423 -0.478 0.133) 0.652 25.982 ( -0.423 0.478 0.133) 0.652 26.355 ( 0.846 -0.484 -0.208) 0.996 26.355 ( 0.846 0.484 -0.208) 0.996 26.812 ( -0.030 -0.051 0.067) 0.089 26.812 ( -0.030 0.051 0.067) 0.089 27.233 ( 0.287 -0.124 0.028) 0.313 27.233 ( 0.287 0.124 0.028) 0.313 28.830 ( 0.357 -0.052 0.066) 0.366 28.830 ( 0.357 0.052 0.066) 0.366 29.474 ( -0.476 -0.222 -0.067) 0.530 29.474 ( -0.476 0.222 -0.067) 0.530 =================== 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 3/23040 10.0 308.736 418.288 422.333 0.000 -4.531 0.000 3/23040 20.0 45.592 69.466 81.299 0.000 -0.353 0.000 3/23040 30.0 18.272 29.051 33.996 0.000 -0.653 0.000 3/23040 40.0 10.793 17.333 19.960 0.000 -0.520 0.000 3/23040 50.0 7.567 12.179 13.833 0.000 -0.393 0.000 3/23040 60.0 5.798 9.343 10.502 0.000 -0.303 0.000 3/23040 70.0 4.687 7.562 8.437 0.000 -0.242 0.000 3/23040 80.0 3.928 6.347 7.046 0.000 -0.200 0.000 3/23040 90.0 3.378 5.468 6.050 0.000 -0.170 0.000 3/23040 100.0 2.962 4.805 5.305 0.000 -0.147 0.000 3/23040 110.0 2.638 4.287 4.728 0.000 -0.130 0.000 3/23040 120.0 2.378 3.873 4.268 0.000 -0.117 0.000 3/23040 130.0 2.166 3.534 3.894 0.000 -0.106 0.000 3/23040 140.0 1.989 3.251 3.584 0.000 -0.098 0.000 3/23040 150.0 1.839 3.012 3.322 0.000 -0.091 0.000 3/23040 160.0 1.711 2.807 3.098 0.000 -0.084 0.000 3/23040 170.0 1.600 2.630 2.904 0.000 -0.079 0.000 3/23040 180.0 1.503 2.474 2.735 0.000 -0.075 0.000 3/23040 190.0 1.417 2.337 2.585 0.000 -0.071 0.000 3/23040 200.0 1.341 2.215 2.452 0.000 -0.067 0.000 3/23040 210.0 1.273 2.105 2.333 0.000 -0.064 0.000 3/23040 220.0 1.211 2.006 2.226 0.000 -0.061 0.000 3/23040 230.0 1.156 1.917 2.129 0.000 -0.059 0.000 3/23040 240.0 1.105 1.835 2.041 0.000 -0.056 0.000 3/23040 250.0 1.059 1.760 1.960 0.000 -0.054 0.000 3/23040 260.0 1.016 1.692 1.885 0.000 -0.052 0.000 3/23040 270.0 0.977 1.628 1.817 0.000 -0.051 0.000 3/23040 280.0 0.941 1.570 1.753 0.000 -0.049 0.000 3/23040 290.0 0.908 1.516 1.694 0.000 -0.047 0.000 3/23040 300.0 0.876 1.465 1.639 0.000 -0.046 0.000 3/23040 310.0 0.847 1.418 1.588 0.000 -0.045 0.000 3/23040 320.0 0.820 1.373 1.540 0.000 -0.043 0.000 3/23040 330.0 0.795 1.332 1.495 0.000 -0.042 0.000 3/23040 340.0 0.771 1.293 1.453 0.000 -0.041 0.000 3/23040 350.0 0.749 1.256 1.413 0.000 -0.040 0.000 3/23040 360.0 0.727 1.222 1.375 0.000 -0.039 0.000 3/23040 370.0 0.708 1.189 1.339 0.000 -0.038 0.000 3/23040 380.0 0.689 1.158 1.305 0.000 -0.037 0.000 3/23040 390.0 0.671 1.128 1.273 0.000 -0.036 0.000 3/23040 400.0 0.654 1.100 1.242 0.000 -0.036 0.000 3/23040 410.0 0.638 1.074 1.213 0.000 -0.035 0.000 3/23040 420.0 0.622 1.049 1.185 0.000 -0.034 0.000 3/23040 430.0 0.608 1.025 1.159 0.000 -0.033 0.000 3/23040 440.0 0.594 1.002 1.134 0.000 -0.033 0.000 3/23040 450.0 0.581 0.980 1.109 0.000 -0.032 0.000 3/23040 460.0 0.568 0.958 1.086 0.000 -0.031 0.000 3/23040 470.0 0.556 0.938 1.064 0.000 -0.031 0.000 3/23040 480.0 0.544 0.919 1.043 0.000 -0.030 0.000 3/23040 490.0 0.533 0.901 1.022 0.000 -0.030 0.000 3/23040 500.0 0.522 0.883 1.003 0.000 -0.029 0.000 3/23040 510.0 0.512 0.866 0.984 0.000 -0.029 0.000 3/23040 520.0 0.502 0.849 0.965 0.000 -0.028 0.000 3/23040 530.0 0.492 0.833 0.948 0.000 -0.028 0.000 3/23040 540.0 0.483 0.818 0.931 0.000 -0.027 0.000 3/23040 550.0 0.475 0.803 0.915 0.000 -0.027 0.000 3/23040 560.0 0.466 0.789 0.899 0.000 -0.026 0.000 3/23040 570.0 0.458 0.776 0.884 0.000 -0.026 0.000 3/23040 580.0 0.450 0.762 0.869 0.000 -0.025 0.000 3/23040 590.0 0.442 0.750 0.855 0.000 -0.025 0.000 3/23040 600.0 0.435 0.737 0.841 0.000 -0.025 0.000 3/23040 610.0 0.428 0.725 0.828 0.000 -0.024 0.000 3/23040 620.0 0.421 0.714 0.815 0.000 -0.024 0.000 3/23040 630.0 0.414 0.703 0.802 0.000 -0.024 0.000 3/23040 640.0 0.408 0.692 0.790 0.000 -0.023 0.000 3/23040 650.0 0.401 0.681 0.778 0.000 -0.023 0.000 3/23040 660.0 0.395 0.671 0.767 0.000 -0.023 0.000 3/23040 670.0 0.389 0.661 0.756 0.000 -0.022 0.000 3/23040 680.0 0.384 0.651 0.745 0.000 -0.022 0.000 3/23040 690.0 0.378 0.642 0.734 0.000 -0.022 0.000 3/23040 700.0 0.373 0.633 0.724 0.000 -0.021 0.000 3/23040 710.0 0.367 0.624 0.714 0.000 -0.021 0.000 3/23040 720.0 0.362 0.616 0.705 0.000 -0.021 0.000 3/23040 730.0 0.357 0.607 0.695 0.000 -0.021 0.000 3/23040 740.0 0.353 0.599 0.686 0.000 -0.020 0.000 3/23040 750.0 0.348 0.591 0.677 0.000 -0.020 0.000 3/23040 760.0 0.343 0.584 0.668 0.000 -0.020 0.000 3/23040 770.0 0.339 0.576 0.660 0.000 -0.020 0.000 3/23040 780.0 0.335 0.569 0.652 0.000 -0.019 0.000 3/23040 790.0 0.330 0.562 0.644 0.000 -0.019 0.000 3/23040 800.0 0.326 0.555 0.636 0.000 -0.019 0.000 3/23040 810.0 0.322 0.548 0.628 0.000 -0.019 0.000 3/23040 820.0 0.318 0.541 0.621 0.000 -0.018 0.000 3/23040 830.0 0.314 0.535 0.613 0.000 -0.018 0.000 3/23040 840.0 0.311 0.529 0.606 0.000 -0.018 0.000 3/23040 850.0 0.307 0.522 0.599 0.000 -0.018 0.000 3/23040 860.0 0.303 0.516 0.592 0.000 -0.018 0.000 3/23040 870.0 0.300 0.510 0.586 0.000 -0.017 0.000 3/23040 880.0 0.297 0.505 0.579 0.000 -0.017 0.000 3/23040 890.0 0.293 0.499 0.573 0.000 -0.017 0.000 3/23040 900.0 0.290 0.494 0.567 0.000 -0.017 0.000 3/23040 910.0 0.287 0.488 0.560 0.000 -0.017 0.000 3/23040 920.0 0.284 0.483 0.555 0.000 -0.016 0.000 3/23040 930.0 0.281 0.478 0.549 0.000 -0.016 0.000 3/23040 940.0 0.278 0.473 0.543 0.000 -0.016 0.000 3/23040 950.0 0.275 0.468 0.537 0.000 -0.016 0.000 3/23040 960.0 0.272 0.463 0.532 0.000 -0.016 0.000 3/23040 970.0 0.269 0.458 0.526 0.000 -0.016 0.000 3/23040 980.0 0.266 0.454 0.521 0.000 -0.016 0.000 3/23040 990.0 0.264 0.449 0.516 0.000 -0.015 0.000 3/23040 1000.0 0.261 0.445 0.511 0.000 -0.015 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m586.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:36:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|