----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:33:04]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] 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 6.926196770224370 0.000000000000000 0.000000000000000 b 0.000000000000000 6.961610549999999 0.000000000000000 c -5.431742297963154 0.000000000000000 10.935040599443154 Atomic positions (fractional): *1 S 0.84325229635444 0.84023286931997 0.11118491935776 32.065 2 S 0.15674770364556 0.34023286931997 0.38881508064224 32.065 3 S 0.15674770364556 0.15976713068003 0.88881508064224 32.065 4 S 0.84325229635444 0.65976713068003 0.61118491935776 32.065 *5 S 0.74200784655565 0.93740718207007 0.80529790326904 32.065 6 S 0.25799215344435 0.43740718207007 0.69470209673096 32.065 *7 S 0.74482866715790 0.05653558071737 0.33952385117250 32.065 8 S 0.25517133284210 0.55653558071737 0.16047614882750 32.065 9 S 0.25517133284210 0.94346441928263 0.66047614882750 32.065 10 S 0.74482866715790 0.44346441928263 0.83952385117250 32.065 11 S 0.74200784655565 0.56259281792993 0.30529790326904 32.065 12 S 0.25799215344435 0.06259281792993 0.19470209673096 32.065 *13 Pt 0.50068429019592 0.30924989616304 0.24454372312819 195.084 14 Pt 0.49931570980408 0.80924989616304 0.25545627687181 195.084 *15 Pt 0.00083335124393 0.06955127149678 0.26926063626397 195.084 16 Pt 0.99916664875606 0.56955127149678 0.23073936373603 195.084 17 Pt 0.99916664875606 0.93044872850322 0.73073936373603 195.084 18 Pt 0.00083335124393 0.43044872850322 0.76926063626397 195.084 *19 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 20 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 21 Pt 0.49931570980408 0.69075010383696 0.75545627687181 195.084 22 Pt 0.50068429019592 0.19075010383696 0.74454372312819 195.084 *23 Tl 0.33701241677174 0.78744033183521 0.45359617379728 204.383 24 Tl 0.66298758322826 0.28744033183521 0.04640382620272 204.383 25 Tl 0.66298758322826 0.21255966816479 0.54640382620272 204.383 26 Tl 0.33701241677174 0.71255966816479 0.95359617379728 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.926196770224370 0.000000000000000 0.000000000000000 b 0.000000000000000 6.961610549999999 0.000000000000000 c -5.431742297963154 0.000000000000000 10.935040599443154 Atomic positions (fractional): *1 S 0.84325229635444 0.84023286931997 0.11118491935776 32.065 > 1 2 S 0.15674770364556 0.34023286931997 0.38881508064224 32.065 > 2 3 S 0.15674770364556 0.15976713068003 0.88881508064224 32.065 > 3 4 S 0.84325229635444 0.65976713068003 0.61118491935776 32.065 > 4 *5 S 0.74200784655565 0.93740718207007 0.80529790326904 32.065 > 5 6 S 0.25799215344435 0.43740718207007 0.69470209673096 32.065 > 6 *7 S 0.74482866715790 0.05653558071737 0.33952385117250 32.065 > 7 8 S 0.25517133284210 0.55653558071737 0.16047614882750 32.065 > 8 9 S 0.25517133284210 0.94346441928263 0.66047614882750 32.065 > 9 10 S 0.74482866715790 0.44346441928263 0.83952385117250 32.065 > 10 11 S 0.74200784655565 0.56259281792993 0.30529790326904 32.065 > 11 12 S 0.25799215344435 0.06259281792993 0.19470209673096 32.065 > 12 *13 Pt 0.50068429019592 0.30924989616304 0.24454372312819 195.084 > 13 14 Pt 0.49931570980408 0.80924989616304 0.25545627687181 195.084 > 14 *15 Pt 0.00083335124393 0.06955127149678 0.26926063626397 195.084 > 15 16 Pt 0.99916664875606 0.56955127149678 0.23073936373603 195.084 > 16 17 Pt 0.99916664875606 0.93044872850322 0.73073936373603 195.084 > 17 18 Pt 0.00083335124393 0.43044872850322 0.76926063626397 195.084 > 18 *19 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 19 20 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 20 21 Pt 0.49931570980408 0.69075010383696 0.75545627687181 195.084 > 21 22 Pt 0.50068429019592 0.19075010383696 0.74454372312819 195.084 > 22 *23 Tl 0.33701241677174 0.78744033183521 0.45359617379728 204.383 > 23 24 Tl 0.66298758322826 0.28744033183521 0.04640382620272 204.383 > 24 25 Tl 0.66298758322826 0.21255966816479 0.54640382620272 204.383 > 25 26 Tl 0.33701241677174 0.71255966816479 0.95359617379728 204.383 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.852393540448739 0.000000000000000 0.000000000000000 b 0.000000000000000 13.923221099999997 0.000000000000000 c -5.431742297963154 0.000000000000000 10.935040599443154 Atomic positions (fractional): *1 S 0.42162614817722 0.42011643465998 0.11118491935776 32.065 > 1 2 S 0.92162614817722 0.42011643465998 0.11118491935776 32.065 > 1 3 S 0.42162614817722 0.92011643465998 0.11118491935776 32.065 > 1 4 S 0.92162614817722 0.92011643465998 0.11118491935776 32.065 > 1 5 S 0.07837385182278 0.17011643465998 0.38881508064224 32.065 > 2 6 S 0.57837385182278 0.17011643465998 0.38881508064224 32.065 > 2 7 S 0.07837385182278 0.67011643465998 0.38881508064224 32.065 > 2 8 S 0.57837385182278 0.67011643465998 0.38881508064224 32.065 > 2 9 S 0.07837385182278 0.07988356534002 0.88881508064224 32.065 > 3 10 S 0.57837385182278 0.07988356534002 0.88881508064224 32.065 > 3 11 S 0.07837385182278 0.57988356534002 0.88881508064224 32.065 > 3 12 S 0.57837385182278 0.57988356534002 0.88881508064224 32.065 > 3 13 S 0.42162614817722 0.32988356534002 0.61118491935776 32.065 > 4 14 S 0.92162614817722 0.32988356534002 0.61118491935776 32.065 > 4 15 S 0.42162614817722 0.82988356534002 0.61118491935776 32.065 > 4 16 S 0.92162614817722 0.82988356534002 0.61118491935776 32.065 > 4 *17 S 0.37100392327783 0.46870359103503 0.80529790326904 32.065 > 5 18 S 0.87100392327783 0.46870359103503 0.80529790326904 32.065 > 5 19 S 0.37100392327783 0.96870359103503 0.80529790326904 32.065 > 5 20 S 0.87100392327783 0.96870359103503 0.80529790326904 32.065 > 5 21 S 0.12899607672217 0.21870359103503 0.69470209673096 32.065 > 6 22 S 0.62899607672217 0.21870359103503 0.69470209673096 32.065 > 6 23 S 0.12899607672217 0.71870359103503 0.69470209673096 32.065 > 6 24 S 0.62899607672217 0.71870359103503 0.69470209673096 32.065 > 6 *25 S 0.37241433357895 0.02826779035869 0.33952385117250 32.065 > 7 26 S 0.87241433357895 0.02826779035869 0.33952385117250 32.065 > 7 27 S 0.37241433357895 0.52826779035869 0.33952385117250 32.065 > 7 28 S 0.87241433357895 0.52826779035869 0.33952385117250 32.065 > 7 29 S 0.12758566642105 0.27826779035869 0.16047614882750 32.065 > 8 30 S 0.62758566642105 0.27826779035869 0.16047614882750 32.065 > 8 31 S 0.12758566642105 0.77826779035869 0.16047614882750 32.065 > 8 32 S 0.62758566642105 0.77826779035869 0.16047614882750 32.065 > 8 33 S 0.12758566642105 0.47173220964131 0.66047614882750 32.065 > 9 34 S 0.62758566642105 0.47173220964131 0.66047614882750 32.065 > 9 35 S 0.12758566642105 0.97173220964131 0.66047614882750 32.065 > 9 36 S 0.62758566642105 0.97173220964131 0.66047614882750 32.065 > 9 37 S 0.37241433357895 0.22173220964131 0.83952385117250 32.065 > 10 38 S 0.87241433357895 0.22173220964131 0.83952385117250 32.065 > 10 39 S 0.37241433357895 0.72173220964131 0.83952385117250 32.065 > 10 40 S 0.87241433357895 0.72173220964131 0.83952385117250 32.065 > 10 41 S 0.37100392327783 0.28129640896497 0.30529790326904 32.065 > 11 42 S 0.87100392327783 0.28129640896497 0.30529790326904 32.065 > 11 43 S 0.37100392327783 0.78129640896497 0.30529790326904 32.065 > 11 44 S 0.87100392327783 0.78129640896497 0.30529790326904 32.065 > 11 45 S 0.12899607672217 0.03129640896497 0.19470209673096 32.065 > 12 46 S 0.62899607672217 0.03129640896497 0.19470209673096 32.065 > 12 47 S 0.12899607672217 0.53129640896497 0.19470209673096 32.065 > 12 48 S 0.62899607672217 0.53129640896497 0.19470209673096 32.065 > 12 *49 Pt 0.25034214509796 0.15462494808152 0.24454372312819 195.084 > 13 50 Pt 0.75034214509796 0.15462494808152 0.24454372312819 195.084 > 13 51 Pt 0.25034214509796 0.65462494808152 0.24454372312819 195.084 > 13 52 Pt 0.75034214509796 0.65462494808152 0.24454372312819 195.084 > 13 53 Pt 0.24965785490204 0.40462494808152 0.25545627687181 195.084 > 14 54 Pt 0.74965785490204 0.40462494808152 0.25545627687181 195.084 > 14 55 Pt 0.24965785490204 0.90462494808152 0.25545627687181 195.084 > 14 56 Pt 0.74965785490204 0.90462494808152 0.25545627687181 195.084 > 14 *57 Pt 0.00041667562197 0.03477563574839 0.26926063626397 195.084 > 15 58 Pt 0.50041667562197 0.03477563574839 0.26926063626397 195.084 > 15 59 Pt 0.00041667562197 0.53477563574839 0.26926063626397 195.084 > 15 60 Pt 0.50041667562197 0.53477563574839 0.26926063626397 195.084 > 15 61 Pt 0.49958332437803 0.28477563574839 0.23073936373603 195.084 > 16 62 Pt 0.99958332437803 0.28477563574839 0.23073936373603 195.084 > 16 63 Pt 0.49958332437803 0.78477563574839 0.23073936373603 195.084 > 16 64 Pt 0.99958332437803 0.78477563574839 0.23073936373603 195.084 > 16 65 Pt 0.49958332437803 0.46522436425161 0.73073936373603 195.084 > 17 66 Pt 0.99958332437803 0.46522436425161 0.73073936373603 195.084 > 17 67 Pt 0.49958332437803 0.96522436425161 0.73073936373603 195.084 > 17 68 Pt 0.99958332437803 0.96522436425161 0.73073936373603 195.084 > 17 69 Pt 0.00041667562197 0.21522436425161 0.76926063626397 195.084 > 18 70 Pt 0.50041667562197 0.21522436425161 0.76926063626397 195.084 > 18 71 Pt 0.00041667562197 0.71522436425161 0.76926063626397 195.084 > 18 72 Pt 0.50041667562197 0.71522436425161 0.76926063626397 195.084 > 18 *73 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 19 74 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 19 75 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 19 76 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 19 77 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 20 78 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 20 79 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 20 80 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 20 81 Pt 0.24965785490204 0.34537505191848 0.75545627687181 195.084 > 21 82 Pt 0.74965785490204 0.34537505191848 0.75545627687181 195.084 > 21 83 Pt 0.24965785490204 0.84537505191848 0.75545627687181 195.084 > 21 84 Pt 0.74965785490204 0.84537505191848 0.75545627687181 195.084 > 21 85 Pt 0.25034214509796 0.09537505191848 0.74454372312819 195.084 > 22 86 Pt 0.75034214509796 0.09537505191848 0.74454372312819 195.084 > 22 87 Pt 0.25034214509796 0.59537505191848 0.74454372312819 195.084 > 22 88 Pt 0.75034214509796 0.59537505191848 0.74454372312819 195.084 > 22 *89 Tl 0.16850620838587 0.39372016591760 0.45359617379728 204.383 > 23 90 Tl 0.66850620838587 0.39372016591760 0.45359617379728 204.383 > 23 91 Tl 0.16850620838587 0.89372016591760 0.45359617379728 204.383 > 23 92 Tl 0.66850620838587 0.89372016591760 0.45359617379728 204.383 > 23 93 Tl 0.33149379161413 0.14372016591760 0.04640382620272 204.383 > 24 94 Tl 0.83149379161413 0.14372016591760 0.04640382620272 204.383 > 24 95 Tl 0.33149379161413 0.64372016591760 0.04640382620272 204.383 > 24 96 Tl 0.83149379161413 0.64372016591760 0.04640382620272 204.383 > 24 97 Tl 0.33149379161413 0.10627983408240 0.54640382620272 204.383 > 25 98 Tl 0.83149379161413 0.10627983408240 0.54640382620272 204.383 > 25 99 Tl 0.33149379161413 0.60627983408240 0.54640382620272 204.383 > 25 100 Tl 0.83149379161413 0.60627983408240 0.54640382620272 204.383 > 25 101 Tl 0.16850620838587 0.35627983408240 0.95359617379728 204.383 > 26 102 Tl 0.66850620838587 0.35627983408240 0.95359617379728 204.383 > 26 103 Tl 0.16850620838587 0.85627983408240 0.95359617379728 204.383 > 26 104 Tl 0.66850620838587 0.85627983408240 0.95359617379728 204.383 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.9624000 0.0000000 -0.6226686 0.0000000 14.1293334 0.0000000 -0.6226710 0.0000000 13.9307188 -------------------------- Born effective charges -------------------------- 1 S 0.3773824 -0.3131244 -0.3818542 -0.2780721 -0.8939181 -0.2737991 -0.1739764 -0.1303126 -0.6868566 2 S 0.3773824 0.3131244 -0.3818542 0.2780721 -0.8939181 0.2737991 -0.1739764 0.1303126 -0.6868566 3 S 0.3773824 -0.3131244 -0.3818542 -0.2780721 -0.8939181 -0.2737991 -0.1739764 -0.1303126 -0.6868566 4 S 0.3773824 0.3131244 -0.3818542 0.2780721 -0.8939181 0.2737991 -0.1739764 0.1303126 -0.6868566 5 S 0.5617033 0.8024960 -0.1557018 0.3435788 1.2754663 0.1197438 0.0078756 0.0083937 0.6860766 6 S 0.5617033 -0.8024960 -0.1557018 -0.3435788 1.2754663 -0.1197438 0.0078756 -0.0083937 0.6860766 7 S -0.4146728 0.4724677 0.0220417 0.5391071 -0.1631790 0.4956858 0.6364076 0.2088245 -0.2958932 8 S -0.4146728 -0.4724677 0.0220417 -0.5391071 -0.1631790 -0.4956858 0.6364076 -0.2088245 -0.2958932 9 S -0.4146728 0.4724677 0.0220417 0.5391071 -0.1631790 0.4956858 0.6364076 0.2088245 -0.2958932 10 S -0.4146728 -0.4724677 0.0220417 -0.5391071 -0.1631790 -0.4956858 0.6364076 -0.2088245 -0.2958932 11 S 0.5617033 -0.8024960 -0.1557018 -0.3435788 1.2754663 -0.1197438 0.0078756 -0.0083937 0.6860766 12 S 0.5617033 0.8024960 -0.1557018 0.3435788 1.2754663 0.1197438 0.0078756 0.0083937 0.6860766 13 Pt -1.8020040 0.4799417 0.9179137 -0.0345861 0.8841979 0.2098413 0.7769784 0.1952920 -1.7154023 14 Pt -1.8020040 -0.4799417 0.9179137 0.0345861 0.8841979 -0.2098413 0.7769784 -0.1952920 -1.7154023 15 Pt 0.0256337 0.1698140 -0.0922380 -0.2356706 -1.4755840 1.1947634 -0.9723339 0.6899790 -1.3334295 16 Pt 0.0256337 -0.1698140 -0.0922380 0.2356706 -1.4755840 -1.1947634 -0.9723339 -0.6899790 -1.3334295 17 Pt 0.0256337 0.1698140 -0.0922380 -0.2356706 -1.4755840 1.1947634 -0.9723339 0.6899790 -1.3334295 18 Pt 0.0256337 -0.1698140 -0.0922380 0.2356706 -1.4755840 -1.1947634 -0.9723339 -0.6899790 -1.3334295 19 Pt -1.7434993 0.4162187 -0.2581088 0.5031970 -2.3983943 0.2511540 -0.0039696 0.1163924 0.5538989 20 Pt -1.7434993 -0.4162187 -0.2581088 -0.5031970 -2.3983943 -0.2511540 -0.0039696 -0.1163924 0.5538989 21 Pt -1.8020040 0.4799417 0.9179137 -0.0345861 0.8841979 0.2098413 0.7769784 0.1952920 -1.7154023 22 Pt -1.8020040 -0.4799417 0.9179137 0.0345861 0.8841979 -0.2098413 0.7769784 -0.1952920 -1.7154023 23 Tl 2.1237070 -0.1017817 -0.1811071 -0.2110948 1.5722141 -0.2387317 -0.2729666 -0.0401926 3.0685556 24 Tl 2.1237070 0.1017817 -0.1811071 0.2110948 1.5722141 0.2387317 -0.2729666 0.0401926 3.0685556 25 Tl 2.1237070 -0.1017817 -0.1811071 -0.2110948 1.5722141 -0.2387317 -0.2729666 -0.0401926 3.0685556 26 Tl 2.1237070 0.1017817 -0.1811071 0.2110948 1.5722141 0.2387317 -0.2729666 0.0401926 3.0685556 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 166 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 166 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 12), data: (678, 26) @ (26, 12) |-- (178, 166), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 12), data: (678, 26) @ (26, 12) |-- (178, 166), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 800 - Time: 0.788 Solver_block: 200 / 800 - Time: 0.710 Solver_block: 300 / 800 - Time: 0.707 Solver_block: 400 / 800 - Time: 0.708 Solver_block: 500 / 800 - Time: 0.707 Solver_block: 600 / 800 - Time: 0.709 Solver_block: 700 / 800 - Time: 0.707 Solver_block: 800 / 800 - Time: 0.709 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.873 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3168 Number of blocks in projector: 3168 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: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 166 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 678 / 678 (1) 166 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 678 Use submatrix version of eigh solver. (1) Block: 500 / 678 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 678 / 678 (1) 171 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3168, 3106), data: False |-- (378, 371), data: True |-- (378, 371), data: True |-- (378, 371), data: True |-- (678, 665), data: False |-- (678, 7), data: (678, 20) @ (20, 7) |-- (178, 171), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (678, 664), data: False |-- (678, 12), data: (678, 26) @ (26, 12) |-- (178, 166), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (678, 664), data: False |-- (678, 12), data: (678, 26) @ (26, 12) |-- (178, 166), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:33:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:33:46]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.926196770224370 0.000000000000000 0.000000000000000 b 0.000000000000000 6.961610549999999 0.000000000000000 c -5.431742297963154 0.000000000000000 10.935040599443154 Atomic positions (fractional): 1 S 0.84325229635444 0.84023286931997 0.11118491935776 32.065 2 S 0.15674770364556 0.34023286931997 0.38881508064224 32.065 3 S 0.15674770364556 0.15976713068003 0.88881508064224 32.065 4 S 0.84325229635444 0.65976713068003 0.61118491935776 32.065 5 S 0.74200784655565 0.93740718207007 0.80529790326904 32.065 6 S 0.25799215344435 0.43740718207007 0.69470209673096 32.065 7 S 0.74482866715790 0.05653558071737 0.33952385117250 32.065 8 S 0.25517133284210 0.55653558071737 0.16047614882750 32.065 9 S 0.25517133284210 0.94346441928263 0.66047614882750 32.065 10 S 0.74482866715790 0.44346441928263 0.83952385117250 32.065 11 S 0.74200784655565 0.56259281792993 0.30529790326904 32.065 12 S 0.25799215344435 0.06259281792993 0.19470209673096 32.065 13 Pt 0.50068429019592 0.30924989616304 0.24454372312819 195.084 14 Pt 0.49931570980408 0.80924989616304 0.25545627687181 195.084 15 Pt 0.00083335124393 0.06955127149678 0.26926063626397 195.084 16 Pt 0.99916664875606 0.56955127149678 0.23073936373603 195.084 17 Pt 0.99916664875606 0.93044872850322 0.73073936373603 195.084 18 Pt 0.00083335124393 0.43044872850322 0.76926063626397 195.084 19 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 20 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 21 Pt 0.49931570980408 0.69075010383696 0.75545627687181 195.084 22 Pt 0.50068429019592 0.19075010383696 0.74454372312819 195.084 23 Tl 0.33701241677174 0.78744033183521 0.45359617379728 204.383 24 Tl 0.66298758322826 0.28744033183521 0.04640382620272 204.383 25 Tl 0.66298758322826 0.21255966816479 0.54640382620272 204.383 26 Tl 0.33701241677174 0.71255966816479 0.95359617379728 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.852393540448739 0.000000000000000 0.000000000000000 b 0.000000000000000 13.923221099999997 0.000000000000000 c -5.431742297963154 0.000000000000000 10.935040599443154 Atomic positions (fractional): 1 S 0.42162614817722 0.42011643465998 0.11118491935776 32.065 > 1 2 S 0.92162614817722 0.42011643465998 0.11118491935776 32.065 > 1 3 S 0.42162614817722 0.92011643465998 0.11118491935776 32.065 > 1 4 S 0.92162614817722 0.92011643465998 0.11118491935776 32.065 > 1 5 S 0.07837385182278 0.17011643465998 0.38881508064224 32.065 > 5 6 S 0.57837385182278 0.17011643465998 0.38881508064224 32.065 > 5 7 S 0.07837385182278 0.67011643465998 0.38881508064224 32.065 > 5 8 S 0.57837385182278 0.67011643465998 0.38881508064224 32.065 > 5 9 S 0.07837385182278 0.07988356534002 0.88881508064224 32.065 > 9 10 S 0.57837385182278 0.07988356534002 0.88881508064224 32.065 > 9 11 S 0.07837385182278 0.57988356534002 0.88881508064224 32.065 > 9 12 S 0.57837385182278 0.57988356534002 0.88881508064224 32.065 > 9 13 S 0.42162614817722 0.32988356534002 0.61118491935776 32.065 > 13 14 S 0.92162614817722 0.32988356534002 0.61118491935776 32.065 > 13 15 S 0.42162614817722 0.82988356534002 0.61118491935776 32.065 > 13 16 S 0.92162614817722 0.82988356534002 0.61118491935776 32.065 > 13 17 S 0.37100392327783 0.46870359103503 0.80529790326904 32.065 > 17 18 S 0.87100392327783 0.46870359103503 0.80529790326904 32.065 > 17 19 S 0.37100392327783 0.96870359103503 0.80529790326904 32.065 > 17 20 S 0.87100392327783 0.96870359103503 0.80529790326904 32.065 > 17 21 S 0.12899607672217 0.21870359103503 0.69470209673096 32.065 > 21 22 S 0.62899607672217 0.21870359103503 0.69470209673096 32.065 > 21 23 S 0.12899607672217 0.71870359103503 0.69470209673096 32.065 > 21 24 S 0.62899607672217 0.71870359103503 0.69470209673096 32.065 > 21 25 S 0.37241433357895 0.02826779035869 0.33952385117250 32.065 > 25 26 S 0.87241433357895 0.02826779035869 0.33952385117250 32.065 > 25 27 S 0.37241433357895 0.52826779035869 0.33952385117250 32.065 > 25 28 S 0.87241433357895 0.52826779035869 0.33952385117250 32.065 > 25 29 S 0.12758566642105 0.27826779035869 0.16047614882750 32.065 > 29 30 S 0.62758566642105 0.27826779035869 0.16047614882750 32.065 > 29 31 S 0.12758566642105 0.77826779035869 0.16047614882750 32.065 > 29 32 S 0.62758566642105 0.77826779035869 0.16047614882750 32.065 > 29 33 S 0.12758566642105 0.47173220964131 0.66047614882750 32.065 > 33 34 S 0.62758566642105 0.47173220964131 0.66047614882750 32.065 > 33 35 S 0.12758566642105 0.97173220964131 0.66047614882750 32.065 > 33 36 S 0.62758566642105 0.97173220964131 0.66047614882750 32.065 > 33 37 S 0.37241433357895 0.22173220964131 0.83952385117250 32.065 > 37 38 S 0.87241433357895 0.22173220964131 0.83952385117250 32.065 > 37 39 S 0.37241433357895 0.72173220964131 0.83952385117250 32.065 > 37 40 S 0.87241433357895 0.72173220964131 0.83952385117250 32.065 > 37 41 S 0.37100392327783 0.28129640896497 0.30529790326904 32.065 > 41 42 S 0.87100392327783 0.28129640896497 0.30529790326904 32.065 > 41 43 S 0.37100392327783 0.78129640896497 0.30529790326904 32.065 > 41 44 S 0.87100392327783 0.78129640896497 0.30529790326904 32.065 > 41 45 S 0.12899607672217 0.03129640896497 0.19470209673096 32.065 > 45 46 S 0.62899607672217 0.03129640896497 0.19470209673096 32.065 > 45 47 S 0.12899607672217 0.53129640896497 0.19470209673096 32.065 > 45 48 S 0.62899607672217 0.53129640896497 0.19470209673096 32.065 > 45 49 Pt 0.25034214509796 0.15462494808152 0.24454372312819 195.084 > 49 50 Pt 0.75034214509796 0.15462494808152 0.24454372312819 195.084 > 49 51 Pt 0.25034214509796 0.65462494808152 0.24454372312819 195.084 > 49 52 Pt 0.75034214509796 0.65462494808152 0.24454372312819 195.084 > 49 53 Pt 0.24965785490204 0.40462494808152 0.25545627687181 195.084 > 53 54 Pt 0.74965785490204 0.40462494808152 0.25545627687181 195.084 > 53 55 Pt 0.24965785490204 0.90462494808152 0.25545627687181 195.084 > 53 56 Pt 0.74965785490204 0.90462494808152 0.25545627687181 195.084 > 53 57 Pt 0.00041667562197 0.03477563574839 0.26926063626397 195.084 > 57 58 Pt 0.50041667562197 0.03477563574839 0.26926063626397 195.084 > 57 59 Pt 0.00041667562197 0.53477563574839 0.26926063626397 195.084 > 57 60 Pt 0.50041667562197 0.53477563574839 0.26926063626397 195.084 > 57 61 Pt 0.49958332437803 0.28477563574839 0.23073936373603 195.084 > 61 62 Pt 0.99958332437803 0.28477563574839 0.23073936373603 195.084 > 61 63 Pt 0.49958332437803 0.78477563574839 0.23073936373603 195.084 > 61 64 Pt 0.99958332437803 0.78477563574839 0.23073936373603 195.084 > 61 65 Pt 0.49958332437803 0.46522436425161 0.73073936373603 195.084 > 65 66 Pt 0.99958332437803 0.46522436425161 0.73073936373603 195.084 > 65 67 Pt 0.49958332437803 0.96522436425161 0.73073936373603 195.084 > 65 68 Pt 0.99958332437803 0.96522436425161 0.73073936373603 195.084 > 65 69 Pt 0.00041667562197 0.21522436425161 0.76926063626397 195.084 > 69 70 Pt 0.50041667562197 0.21522436425161 0.76926063626397 195.084 > 69 71 Pt 0.00041667562197 0.71522436425161 0.76926063626397 195.084 > 69 72 Pt 0.50041667562197 0.71522436425161 0.76926063626397 195.084 > 69 73 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 73 74 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 73 75 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 73 76 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 73 77 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 77 78 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 77 79 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 77 80 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 77 81 Pt 0.24965785490204 0.34537505191848 0.75545627687181 195.084 > 81 82 Pt 0.74965785490204 0.34537505191848 0.75545627687181 195.084 > 81 83 Pt 0.24965785490204 0.84537505191848 0.75545627687181 195.084 > 81 84 Pt 0.74965785490204 0.84537505191848 0.75545627687181 195.084 > 81 85 Pt 0.25034214509796 0.09537505191848 0.74454372312819 195.084 > 85 86 Pt 0.75034214509796 0.09537505191848 0.74454372312819 195.084 > 85 87 Pt 0.25034214509796 0.59537505191848 0.74454372312819 195.084 > 85 88 Pt 0.75034214509796 0.59537505191848 0.74454372312819 195.084 > 85 89 Tl 0.16850620838587 0.39372016591760 0.45359617379728 204.383 > 89 90 Tl 0.66850620838587 0.39372016591760 0.45359617379728 204.383 > 89 91 Tl 0.16850620838587 0.89372016591760 0.45359617379728 204.383 > 89 92 Tl 0.66850620838587 0.89372016591760 0.45359617379728 204.383 > 89 93 Tl 0.33149379161413 0.14372016591760 0.04640382620272 204.383 > 93 94 Tl 0.83149379161413 0.14372016591760 0.04640382620272 204.383 > 93 95 Tl 0.33149379161413 0.64372016591760 0.04640382620272 204.383 > 93 96 Tl 0.83149379161413 0.64372016591760 0.04640382620272 204.383 > 93 97 Tl 0.33149379161413 0.10627983408240 0.54640382620272 204.383 > 97 98 Tl 0.83149379161413 0.10627983408240 0.54640382620272 204.383 > 97 99 Tl 0.33149379161413 0.60627983408240 0.54640382620272 204.383 > 97 100 Tl 0.83149379161413 0.60627983408240 0.54640382620272 204.383 > 97 101 Tl 0.16850620838587 0.35627983408240 0.95359617379728 204.383 > 101 102 Tl 0.66850620838587 0.35627983408240 0.95359617379728 204.383 > 101 103 Tl 0.16850620838587 0.85627983408240 0.95359617379728 204.383 > 101 104 Tl 0.66850620838587 0.85627983408240 0.95359617379728 204.383 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.9624000 0.0000000 -0.6226686 0.0000000 14.1293334 0.0000000 -0.6226710 0.0000000 13.9307188 -------------------------- Born effective charges -------------------------- 1 S 0.3773824 -0.3131244 -0.3818542 -0.2780721 -0.8939181 -0.2737991 -0.1739764 -0.1303126 -0.6868566 2 S 0.3773824 0.3131244 -0.3818542 0.2780721 -0.8939181 0.2737991 -0.1739764 0.1303126 -0.6868566 3 S 0.3773824 -0.3131244 -0.3818542 -0.2780721 -0.8939181 -0.2737991 -0.1739764 -0.1303126 -0.6868566 4 S 0.3773824 0.3131244 -0.3818542 0.2780721 -0.8939181 0.2737991 -0.1739764 0.1303126 -0.6868566 5 S 0.5617033 0.8024960 -0.1557018 0.3435788 1.2754663 0.1197438 0.0078756 0.0083937 0.6860766 6 S 0.5617033 -0.8024960 -0.1557018 -0.3435788 1.2754663 -0.1197438 0.0078756 -0.0083937 0.6860766 7 S -0.4146728 0.4724677 0.0220417 0.5391071 -0.1631790 0.4956858 0.6364076 0.2088245 -0.2958932 8 S -0.4146728 -0.4724677 0.0220417 -0.5391071 -0.1631790 -0.4956858 0.6364076 -0.2088245 -0.2958932 9 S -0.4146728 0.4724677 0.0220417 0.5391071 -0.1631790 0.4956858 0.6364076 0.2088245 -0.2958932 10 S -0.4146728 -0.4724677 0.0220417 -0.5391071 -0.1631790 -0.4956858 0.6364076 -0.2088245 -0.2958932 11 S 0.5617033 -0.8024960 -0.1557018 -0.3435788 1.2754663 -0.1197438 0.0078756 -0.0083937 0.6860766 12 S 0.5617033 0.8024960 -0.1557018 0.3435788 1.2754663 0.1197438 0.0078756 0.0083937 0.6860766 13 Pt -1.8020040 0.4799417 0.9179137 -0.0345861 0.8841979 0.2098413 0.7769784 0.1952920 -1.7154023 14 Pt -1.8020040 -0.4799417 0.9179137 0.0345861 0.8841979 -0.2098413 0.7769784 -0.1952920 -1.7154023 15 Pt 0.0256337 0.1698140 -0.0922380 -0.2356706 -1.4755840 1.1947634 -0.9723339 0.6899790 -1.3334295 16 Pt 0.0256337 -0.1698140 -0.0922380 0.2356706 -1.4755840 -1.1947634 -0.9723339 -0.6899790 -1.3334295 17 Pt 0.0256337 0.1698140 -0.0922380 -0.2356706 -1.4755840 1.1947634 -0.9723339 0.6899790 -1.3334295 18 Pt 0.0256337 -0.1698140 -0.0922380 0.2356706 -1.4755840 -1.1947634 -0.9723339 -0.6899790 -1.3334295 19 Pt -1.7434993 0.4162187 -0.2581088 0.5031970 -2.3983943 0.2511540 -0.0039696 0.1163924 0.5538989 20 Pt -1.7434993 -0.4162187 -0.2581088 -0.5031970 -2.3983943 -0.2511540 -0.0039696 -0.1163924 0.5538989 21 Pt -1.8020040 0.4799417 0.9179137 -0.0345861 0.8841979 0.2098413 0.7769784 0.1952920 -1.7154023 22 Pt -1.8020040 -0.4799417 0.9179137 0.0345861 0.8841979 -0.2098413 0.7769784 -0.1952920 -1.7154023 23 Tl 2.1237070 -0.1017817 -0.1811071 -0.2110948 1.5722141 -0.2387317 -0.2729666 -0.0401926 3.0685556 24 Tl 2.1237070 0.1017817 -0.1811071 0.2110948 1.5722141 0.2387317 -0.2729666 0.0401926 3.0685556 25 Tl 2.1237070 -0.1017817 -0.1811071 -0.2110948 1.5722141 -0.2387317 -0.2729666 -0.0401926 3.0685556 26 Tl 2.1237070 0.1017817 -0.1811071 0.2110948 1.5722141 0.2387317 -0.2729666 0.0401926 3.0685556 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 89, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) 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 07:34:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:34:18]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.926196770224370 0.000000000000000 0.000000000000000 b 0.000000000000000 6.961610549999999 0.000000000000000 c -5.431742297963154 0.000000000000000 10.935040599443154 Atomic positions (fractional): 1 S 0.84325229635444 0.84023286931997 0.11118491935776 32.065 2 S 0.15674770364556 0.34023286931997 0.38881508064224 32.065 3 S 0.15674770364556 0.15976713068003 0.88881508064224 32.065 4 S 0.84325229635444 0.65976713068003 0.61118491935776 32.065 5 S 0.74200784655565 0.93740718207007 0.80529790326904 32.065 6 S 0.25799215344435 0.43740718207007 0.69470209673096 32.065 7 S 0.74482866715790 0.05653558071737 0.33952385117250 32.065 8 S 0.25517133284210 0.55653558071737 0.16047614882750 32.065 9 S 0.25517133284210 0.94346441928263 0.66047614882750 32.065 10 S 0.74482866715790 0.44346441928263 0.83952385117250 32.065 11 S 0.74200784655565 0.56259281792993 0.30529790326904 32.065 12 S 0.25799215344435 0.06259281792993 0.19470209673096 32.065 13 Pt 0.50068429019592 0.30924989616304 0.24454372312819 195.084 14 Pt 0.49931570980408 0.80924989616304 0.25545627687181 195.084 15 Pt 0.00083335124393 0.06955127149678 0.26926063626397 195.084 16 Pt 0.99916664875606 0.56955127149678 0.23073936373603 195.084 17 Pt 0.99916664875606 0.93044872850322 0.73073936373603 195.084 18 Pt 0.00083335124393 0.43044872850322 0.76926063626397 195.084 19 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 20 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 21 Pt 0.49931570980408 0.69075010383696 0.75545627687181 195.084 22 Pt 0.50068429019592 0.19075010383696 0.74454372312819 195.084 23 Tl 0.33701241677174 0.78744033183521 0.45359617379728 204.383 24 Tl 0.66298758322826 0.28744033183521 0.04640382620272 204.383 25 Tl 0.66298758322826 0.21255966816479 0.54640382620272 204.383 26 Tl 0.33701241677174 0.71255966816479 0.95359617379728 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.852393540448739 0.000000000000000 0.000000000000000 b 0.000000000000000 13.923221099999997 0.000000000000000 c -5.431742297963154 0.000000000000000 10.935040599443154 Atomic positions (fractional): 1 S 0.42162614817722 0.42011643465998 0.11118491935776 32.065 > 1 2 S 0.92162614817722 0.42011643465998 0.11118491935776 32.065 > 1 3 S 0.42162614817722 0.92011643465998 0.11118491935776 32.065 > 1 4 S 0.92162614817722 0.92011643465998 0.11118491935776 32.065 > 1 5 S 0.07837385182278 0.17011643465998 0.38881508064224 32.065 > 5 6 S 0.57837385182278 0.17011643465998 0.38881508064224 32.065 > 5 7 S 0.07837385182278 0.67011643465998 0.38881508064224 32.065 > 5 8 S 0.57837385182278 0.67011643465998 0.38881508064224 32.065 > 5 9 S 0.07837385182278 0.07988356534002 0.88881508064224 32.065 > 9 10 S 0.57837385182278 0.07988356534002 0.88881508064224 32.065 > 9 11 S 0.07837385182278 0.57988356534002 0.88881508064224 32.065 > 9 12 S 0.57837385182278 0.57988356534002 0.88881508064224 32.065 > 9 13 S 0.42162614817722 0.32988356534002 0.61118491935776 32.065 > 13 14 S 0.92162614817722 0.32988356534002 0.61118491935776 32.065 > 13 15 S 0.42162614817722 0.82988356534002 0.61118491935776 32.065 > 13 16 S 0.92162614817722 0.82988356534002 0.61118491935776 32.065 > 13 17 S 0.37100392327783 0.46870359103503 0.80529790326904 32.065 > 17 18 S 0.87100392327783 0.46870359103503 0.80529790326904 32.065 > 17 19 S 0.37100392327783 0.96870359103503 0.80529790326904 32.065 > 17 20 S 0.87100392327783 0.96870359103503 0.80529790326904 32.065 > 17 21 S 0.12899607672217 0.21870359103503 0.69470209673096 32.065 > 21 22 S 0.62899607672217 0.21870359103503 0.69470209673096 32.065 > 21 23 S 0.12899607672217 0.71870359103503 0.69470209673096 32.065 > 21 24 S 0.62899607672217 0.71870359103503 0.69470209673096 32.065 > 21 25 S 0.37241433357895 0.02826779035869 0.33952385117250 32.065 > 25 26 S 0.87241433357895 0.02826779035869 0.33952385117250 32.065 > 25 27 S 0.37241433357895 0.52826779035869 0.33952385117250 32.065 > 25 28 S 0.87241433357895 0.52826779035869 0.33952385117250 32.065 > 25 29 S 0.12758566642105 0.27826779035869 0.16047614882750 32.065 > 29 30 S 0.62758566642105 0.27826779035869 0.16047614882750 32.065 > 29 31 S 0.12758566642105 0.77826779035869 0.16047614882750 32.065 > 29 32 S 0.62758566642105 0.77826779035869 0.16047614882750 32.065 > 29 33 S 0.12758566642105 0.47173220964131 0.66047614882750 32.065 > 33 34 S 0.62758566642105 0.47173220964131 0.66047614882750 32.065 > 33 35 S 0.12758566642105 0.97173220964131 0.66047614882750 32.065 > 33 36 S 0.62758566642105 0.97173220964131 0.66047614882750 32.065 > 33 37 S 0.37241433357895 0.22173220964131 0.83952385117250 32.065 > 37 38 S 0.87241433357895 0.22173220964131 0.83952385117250 32.065 > 37 39 S 0.37241433357895 0.72173220964131 0.83952385117250 32.065 > 37 40 S 0.87241433357895 0.72173220964131 0.83952385117250 32.065 > 37 41 S 0.37100392327783 0.28129640896497 0.30529790326904 32.065 > 41 42 S 0.87100392327783 0.28129640896497 0.30529790326904 32.065 > 41 43 S 0.37100392327783 0.78129640896497 0.30529790326904 32.065 > 41 44 S 0.87100392327783 0.78129640896497 0.30529790326904 32.065 > 41 45 S 0.12899607672217 0.03129640896497 0.19470209673096 32.065 > 45 46 S 0.62899607672217 0.03129640896497 0.19470209673096 32.065 > 45 47 S 0.12899607672217 0.53129640896497 0.19470209673096 32.065 > 45 48 S 0.62899607672217 0.53129640896497 0.19470209673096 32.065 > 45 49 Pt 0.25034214509796 0.15462494808152 0.24454372312819 195.084 > 49 50 Pt 0.75034214509796 0.15462494808152 0.24454372312819 195.084 > 49 51 Pt 0.25034214509796 0.65462494808152 0.24454372312819 195.084 > 49 52 Pt 0.75034214509796 0.65462494808152 0.24454372312819 195.084 > 49 53 Pt 0.24965785490204 0.40462494808152 0.25545627687181 195.084 > 53 54 Pt 0.74965785490204 0.40462494808152 0.25545627687181 195.084 > 53 55 Pt 0.24965785490204 0.90462494808152 0.25545627687181 195.084 > 53 56 Pt 0.74965785490204 0.90462494808152 0.25545627687181 195.084 > 53 57 Pt 0.00041667562197 0.03477563574839 0.26926063626397 195.084 > 57 58 Pt 0.50041667562197 0.03477563574839 0.26926063626397 195.084 > 57 59 Pt 0.00041667562197 0.53477563574839 0.26926063626397 195.084 > 57 60 Pt 0.50041667562197 0.53477563574839 0.26926063626397 195.084 > 57 61 Pt 0.49958332437803 0.28477563574839 0.23073936373603 195.084 > 61 62 Pt 0.99958332437803 0.28477563574839 0.23073936373603 195.084 > 61 63 Pt 0.49958332437803 0.78477563574839 0.23073936373603 195.084 > 61 64 Pt 0.99958332437803 0.78477563574839 0.23073936373603 195.084 > 61 65 Pt 0.49958332437803 0.46522436425161 0.73073936373603 195.084 > 65 66 Pt 0.99958332437803 0.46522436425161 0.73073936373603 195.084 > 65 67 Pt 0.49958332437803 0.96522436425161 0.73073936373603 195.084 > 65 68 Pt 0.99958332437803 0.96522436425161 0.73073936373603 195.084 > 65 69 Pt 0.00041667562197 0.21522436425161 0.76926063626397 195.084 > 69 70 Pt 0.50041667562197 0.21522436425161 0.76926063626397 195.084 > 69 71 Pt 0.00041667562197 0.71522436425161 0.76926063626397 195.084 > 69 72 Pt 0.50041667562197 0.71522436425161 0.76926063626397 195.084 > 69 73 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 73 74 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 73 75 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 73 76 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 73 77 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 77 78 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 77 79 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 77 80 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 77 81 Pt 0.24965785490204 0.34537505191848 0.75545627687181 195.084 > 81 82 Pt 0.74965785490204 0.34537505191848 0.75545627687181 195.084 > 81 83 Pt 0.24965785490204 0.84537505191848 0.75545627687181 195.084 > 81 84 Pt 0.74965785490204 0.84537505191848 0.75545627687181 195.084 > 81 85 Pt 0.25034214509796 0.09537505191848 0.74454372312819 195.084 > 85 86 Pt 0.75034214509796 0.09537505191848 0.74454372312819 195.084 > 85 87 Pt 0.25034214509796 0.59537505191848 0.74454372312819 195.084 > 85 88 Pt 0.75034214509796 0.59537505191848 0.74454372312819 195.084 > 85 89 Tl 0.16850620838587 0.39372016591760 0.45359617379728 204.383 > 89 90 Tl 0.66850620838587 0.39372016591760 0.45359617379728 204.383 > 89 91 Tl 0.16850620838587 0.89372016591760 0.45359617379728 204.383 > 89 92 Tl 0.66850620838587 0.89372016591760 0.45359617379728 204.383 > 89 93 Tl 0.33149379161413 0.14372016591760 0.04640382620272 204.383 > 93 94 Tl 0.83149379161413 0.14372016591760 0.04640382620272 204.383 > 93 95 Tl 0.33149379161413 0.64372016591760 0.04640382620272 204.383 > 93 96 Tl 0.83149379161413 0.64372016591760 0.04640382620272 204.383 > 93 97 Tl 0.33149379161413 0.10627983408240 0.54640382620272 204.383 > 97 98 Tl 0.83149379161413 0.10627983408240 0.54640382620272 204.383 > 97 99 Tl 0.33149379161413 0.60627983408240 0.54640382620272 204.383 > 97 100 Tl 0.83149379161413 0.60627983408240 0.54640382620272 204.383 > 97 101 Tl 0.16850620838587 0.35627983408240 0.95359617379728 204.383 > 101 102 Tl 0.66850620838587 0.35627983408240 0.95359617379728 204.383 > 101 103 Tl 0.16850620838587 0.85627983408240 0.95359617379728 204.383 > 101 104 Tl 0.66850620838587 0.85627983408240 0.95359617379728 204.383 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.9624000 0.0000000 -0.6226686 0.0000000 14.1293334 0.0000000 -0.6226710 0.0000000 13.9307188 -------------------------- Born effective charges -------------------------- 1 S 0.3773824 -0.3131244 -0.3818542 -0.2780721 -0.8939181 -0.2737991 -0.1739764 -0.1303126 -0.6868566 2 S 0.3773824 0.3131244 -0.3818542 0.2780721 -0.8939181 0.2737991 -0.1739764 0.1303126 -0.6868566 3 S 0.3773824 -0.3131244 -0.3818542 -0.2780721 -0.8939181 -0.2737991 -0.1739764 -0.1303126 -0.6868566 4 S 0.3773824 0.3131244 -0.3818542 0.2780721 -0.8939181 0.2737991 -0.1739764 0.1303126 -0.6868566 5 S 0.5617033 0.8024960 -0.1557018 0.3435788 1.2754663 0.1197438 0.0078756 0.0083937 0.6860766 6 S 0.5617033 -0.8024960 -0.1557018 -0.3435788 1.2754663 -0.1197438 0.0078756 -0.0083937 0.6860766 7 S -0.4146728 0.4724677 0.0220417 0.5391071 -0.1631790 0.4956858 0.6364076 0.2088245 -0.2958932 8 S -0.4146728 -0.4724677 0.0220417 -0.5391071 -0.1631790 -0.4956858 0.6364076 -0.2088245 -0.2958932 9 S -0.4146728 0.4724677 0.0220417 0.5391071 -0.1631790 0.4956858 0.6364076 0.2088245 -0.2958932 10 S -0.4146728 -0.4724677 0.0220417 -0.5391071 -0.1631790 -0.4956858 0.6364076 -0.2088245 -0.2958932 11 S 0.5617033 -0.8024960 -0.1557018 -0.3435788 1.2754663 -0.1197438 0.0078756 -0.0083937 0.6860766 12 S 0.5617033 0.8024960 -0.1557018 0.3435788 1.2754663 0.1197438 0.0078756 0.0083937 0.6860766 13 Pt -1.8020040 0.4799417 0.9179137 -0.0345861 0.8841979 0.2098413 0.7769784 0.1952920 -1.7154023 14 Pt -1.8020040 -0.4799417 0.9179137 0.0345861 0.8841979 -0.2098413 0.7769784 -0.1952920 -1.7154023 15 Pt 0.0256337 0.1698140 -0.0922380 -0.2356706 -1.4755840 1.1947634 -0.9723339 0.6899790 -1.3334295 16 Pt 0.0256337 -0.1698140 -0.0922380 0.2356706 -1.4755840 -1.1947634 -0.9723339 -0.6899790 -1.3334295 17 Pt 0.0256337 0.1698140 -0.0922380 -0.2356706 -1.4755840 1.1947634 -0.9723339 0.6899790 -1.3334295 18 Pt 0.0256337 -0.1698140 -0.0922380 0.2356706 -1.4755840 -1.1947634 -0.9723339 -0.6899790 -1.3334295 19 Pt -1.7434993 0.4162187 -0.2581088 0.5031970 -2.3983943 0.2511540 -0.0039696 0.1163924 0.5538989 20 Pt -1.7434993 -0.4162187 -0.2581088 -0.5031970 -2.3983943 -0.2511540 -0.0039696 -0.1163924 0.5538989 21 Pt -1.8020040 0.4799417 0.9179137 -0.0345861 0.8841979 0.2098413 0.7769784 0.1952920 -1.7154023 22 Pt -1.8020040 -0.4799417 0.9179137 0.0345861 0.8841979 -0.2098413 0.7769784 -0.1952920 -1.7154023 23 Tl 2.1237070 -0.1017817 -0.1811071 -0.2110948 1.5722141 -0.2387317 -0.2729666 -0.0401926 3.0685556 24 Tl 2.1237070 0.1017817 -0.1811071 0.2110948 1.5722141 0.2387317 -0.2729666 0.0401926 3.0685556 25 Tl 2.1237070 -0.1017817 -0.1811071 -0.2110948 1.5722141 -0.2387317 -0.2729666 -0.0401926 3.0685556 26 Tl 2.1237070 0.1017817 -0.1811071 0.2110948 1.5722141 0.2387317 -0.2729666 0.0401926 3.0685556 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 5 ] 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: 291, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.824 ( 0.000 0.000 0.000) 0.000 1.061 ( 0.000 0.000 0.000) 0.000 1.122 ( 0.000 0.000 0.000) 0.000 1.130 ( 0.000 0.000 0.000) 0.000 1.148 ( 0.000 0.000 0.000) 0.000 1.162 ( 0.000 0.000 0.000) 0.000 1.272 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.726 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.340 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.634 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.596 ( 0.000 0.000 0.000) 0.000 8.638 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 8.748 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.753 ( 0.000 0.000 0.000) 0.000 9.878 ( 0.000 0.000 0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 9.943 ( 0.000 0.000 0.000) 0.000 10.224 ( 0.000 0.000 0.000) 0.000 10.273 ( 0.000 0.000 0.000) 0.000 10.596 ( 0.000 0.000 0.000) 0.000 10.613 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.091 ( 0.000 0.000 0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.408 ( 0.000 0.000 0.000) 0.000 11.468 ( 0.000 0.000 0.000) 0.000 11.491 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 11.992 ( 0.000 0.000 0.000) 0.000 12.094 ( 0.000 0.000 0.000) 0.000 12.245 ( 0.000 0.000 0.000) 0.000 12.948 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.229 ( 0.000 0.000 0.000) 0.000 13.501 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( 7.899 0.000 5.935) 9.880 0.378 ( 19.121 0.000 3.600) 19.457 0.696 ( 30.982 0.000 8.943) 32.247 0.854 ( 5.462 0.000 -4.241) 6.915 1.029 ( -0.468 0.000 -5.187) 5.208 1.132 ( 0.022 0.000 -0.203) 0.204 1.159 ( 0.268 0.000 0.430) 0.507 1.183 ( 4.872 0.000 -2.653) 5.548 1.193 ( -0.144 0.000 2.957) 2.961 1.365 ( -0.148 0.000 1.903) 1.909 1.383 ( 1.800 0.000 -0.498) 1.868 1.506 ( 0.606 0.000 -0.784) 0.991 1.532 ( 0.796 0.000 -0.724) 1.076 1.659 ( -0.683 0.000 -1.866) 1.987 1.706 ( -1.999 0.000 0.954) 2.215 1.849 ( 5.963 0.000 -1.861) 6.246 1.863 ( -4.590 0.000 9.746) 10.772 2.020 ( -1.143 0.000 2.215) 2.492 2.119 ( 3.519 0.000 -1.205) 3.720 2.143 ( -9.967 0.000 -10.593) 14.545 2.518 ( -0.032 0.000 -6.900) 6.900 2.565 ( -3.906 0.000 -2.745) 4.774 2.673 ( -4.873 0.000 5.747) 7.535 2.709 ( -0.858 0.000 -1.076) 1.376 2.803 ( -0.398 0.000 6.544) 6.556 2.889 ( -2.351 0.000 -1.707) 2.906 2.925 ( -4.851 0.000 -1.561) 5.096 3.037 ( 2.451 0.000 3.672) 4.415 3.181 ( 3.255 0.000 4.197) 5.311 3.271 ( -1.673 0.000 0.410) 1.723 3.353 ( 1.937 0.000 3.722) 4.196 3.412 ( -1.591 0.000 -2.910) 3.317 3.667 ( -1.895 0.000 -5.113) 5.453 3.696 ( 2.877 0.000 5.096) 5.852 3.886 ( -3.459 0.000 1.023) 3.607 4.132 ( 6.542 0.000 0.772) 6.587 4.174 ( 4.044 0.000 -1.337) 4.259 4.295 ( 2.504 0.000 -5.114) 5.694 4.313 ( -6.398 0.000 2.675) 6.935 4.672 ( -1.465 0.000 0.637) 1.597 5.258 ( 0.199 0.000 0.560) 0.594 5.326 ( -1.111 0.000 -0.827) 1.385 7.604 ( 1.059 0.000 -0.248) 1.088 7.643 ( 0.684 0.000 0.447) 0.818 7.856 ( -0.676 0.000 -0.277) 0.731 8.536 ( -2.151 0.000 -0.385) 2.185 8.612 ( 1.593 0.000 0.530) 1.679 8.654 ( -0.415 0.000 0.742) 0.851 8.679 ( -2.218 0.000 3.745) 4.353 8.698 ( 4.783 0.000 -5.424) 7.232 8.755 ( 0.201 0.000 0.984) 1.005 8.935 ( 0.043 0.000 0.368) 0.370 9.118 ( 0.419 0.000 0.114) 0.434 9.579 ( -0.263 0.000 -0.344) 0.433 9.768 ( 1.076 0.000 1.068) 1.516 9.894 ( 1.891 0.000 0.321) 1.918 9.950 ( 2.526 0.000 -1.276) 2.830 9.978 ( 3.667 0.000 -0.409) 3.690 10.249 ( 1.904 0.000 0.358) 1.937 10.278 ( 0.361 0.000 -0.293) 0.465 10.561 ( -2.210 0.000 -1.602) 2.729 10.573 ( -3.076 0.000 1.961) 3.647 10.743 ( -1.170 0.000 -1.560) 1.950 10.761 ( 3.235 0.000 1.741) 3.674 11.007 ( -4.153 0.000 -0.934) 4.257 11.110 ( 2.134 0.000 0.773) 2.270 11.326 ( 4.630 0.000 0.893) 4.715 11.410 ( -0.067 0.000 0.520) 0.524 11.433 ( -2.435 0.000 -2.631) 3.585 11.512 ( 2.598 0.000 0.793) 2.716 11.826 ( 1.869 0.000 1.400) 2.335 11.939 ( -3.554 0.000 -3.037) 4.675 12.096 ( -1.479 0.000 2.303) 2.736 12.219 ( -3.166 0.000 -0.032) 3.167 12.962 ( -1.032 0.000 0.150) 1.043 13.112 ( -3.174 0.000 -2.953) 4.335 13.267 ( 0.371 0.000 3.757) 3.775 13.466 ( -2.893 0.000 -1.666) 3.339 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 10.087 0.000 2.168) 10.318 0.747 ( 17.536 0.000 3.642) 17.911 0.935 ( 8.202 0.000 -4.780) 9.493 0.969 ( 0.036 0.000 -6.454) 6.454 1.080 ( 4.395 0.000 -1.419) 4.618 1.123 ( -0.015 0.000 -1.517) 1.517 1.207 ( -0.426 0.000 2.270) 2.309 1.246 ( 4.983 0.000 -4.919) 7.002 1.254 ( 6.405 0.000 2.252) 6.789 1.388 ( 0.187 0.000 3.088) 3.093 1.492 ( 0.026 0.000 -6.854) 6.854 1.504 ( 5.362 0.000 10.162) 11.490 1.547 ( 2.767 0.000 -0.721) 2.859 1.636 ( 2.576 0.000 -2.284) 3.443 1.659 ( -3.855 0.000 -0.213) 3.861 1.804 ( -7.789 0.000 0.649) 7.816 1.897 ( 2.781 0.000 6.196) 6.791 2.054 ( 2.643 0.000 3.485) 4.374 2.094 ( 12.546 0.000 -3.173) 12.941 2.202 ( 6.276 0.000 0.532) 6.299 2.447 ( -0.792 0.000 -6.544) 6.592 2.484 ( -2.636 0.000 -1.423) 2.995 2.592 ( -9.401 0.000 3.831) 10.151 2.675 ( -2.475 0.000 -0.745) 2.585 2.789 ( -7.694 0.000 -1.301) 7.803 2.827 ( 0.762 0.000 -2.342) 2.463 2.852 ( -2.657 0.000 6.391) 6.921 3.048 ( -2.767 0.000 0.215) 2.775 3.168 ( -4.091 0.000 -0.303) 4.102 3.241 ( -3.141 0.000 0.368) 3.162 3.454 ( 6.154 0.000 0.259) 6.159 3.464 ( 4.162 0.000 2.420) 4.814 3.607 ( 0.998 0.000 -4.261) 4.376 3.743 ( -1.504 0.000 2.434) 2.862 3.779 ( -9.672 0.000 2.886) 10.093 4.093 ( -11.418 0.000 -4.951) 12.445 4.272 ( 6.564 0.000 0.663) 6.598 4.273 ( 3.102 0.000 3.318) 4.542 4.357 ( 5.483 0.000 -2.914) 6.209 4.649 ( -1.451 0.000 0.975) 1.748 5.273 ( 0.670 0.000 0.858) 1.088 5.294 ( -1.220 0.000 -1.080) 1.629 7.625 ( 1.411 0.000 -0.338) 1.451 7.661 ( 0.643 0.000 0.627) 0.898 7.837 ( -0.995 0.000 -0.298) 1.039 8.497 ( -1.451 0.000 -0.694) 1.609 8.634 ( -1.164 0.000 -0.680) 1.348 8.661 ( 2.930 0.000 0.711) 3.015 8.674 ( -1.443 0.000 2.386) 2.788 8.752 ( 4.668 0.000 -2.917) 5.505 8.769 ( 0.117 0.000 1.433) 1.438 8.938 ( 0.373 0.000 -0.471) 0.601 9.130 ( 0.632 0.000 0.197) 0.662 9.571 ( -0.377 0.000 -0.132) 0.399 9.812 ( 2.561 0.000 1.831) 3.148 9.953 ( 4.326 0.000 -0.571) 4.364 10.014 ( 5.739 0.000 -1.182) 5.859 10.055 ( 5.002 0.000 -0.197) 5.005 10.260 ( -1.431 0.000 -0.796) 1.638 10.267 ( -1.884 0.000 0.609) 1.980 10.530 ( -0.061 0.000 -1.597) 1.598 10.536 ( -2.964 0.000 2.213) 3.699 10.697 ( -2.262 0.000 -0.874) 2.425 10.717 ( -7.584 0.000 -0.629) 7.610 11.037 ( 7.120 0.000 1.939) 7.380 11.182 ( 5.728 0.000 -1.723) 5.982 11.367 ( -2.319 0.000 -1.498) 2.761 11.389 ( -0.273 0.000 0.506) 0.575 11.446 ( 3.716 0.000 2.740) 4.617 11.579 ( 3.779 0.000 0.213) 3.785 11.838 ( -4.219 0.000 -2.641) 4.978 11.839 ( -1.723 0.000 0.448) 1.780 12.077 ( -2.439 0.000 1.972) 3.137 12.145 ( -4.444 0.000 -0.491) 4.471 12.943 ( -1.640 0.000 1.253) 2.064 13.028 ( -3.263 0.000 -2.109) 3.885 13.293 ( -1.035 0.000 3.249) 3.410 13.378 ( -4.282 0.000 -2.642) 5.031 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 6.901 0.000 -0.429) 6.914 0.916 ( 1.213 0.000 -5.163) 5.304 1.018 ( 4.263 0.000 0.867) 4.350 1.050 ( 6.505 0.000 -1.399) 6.653 1.094 ( 0.768 0.000 -1.516) 1.700 1.143 ( 6.927 0.000 -0.615) 6.954 1.217 ( -0.098 0.000 2.447) 2.449 1.269 ( 2.264 0.000 -3.830) 4.448 1.314 ( 0.618 0.000 0.215) 0.655 1.359 ( -5.098 0.000 -3.999) 6.479 1.437 ( 2.295 0.000 1.501) 2.742 1.518 ( -1.355 0.000 -1.791) 2.246 1.570 ( -1.555 0.000 1.971) 2.511 1.628 ( -0.790 0.000 2.229) 2.365 1.730 ( -3.537 0.000 0.690) 3.604 1.743 ( 3.596 0.000 1.293) 3.822 2.086 ( -0.310 0.000 2.043) 2.066 2.120 ( 7.773 0.000 10.219) 12.839 2.362 ( 7.355 0.000 -1.296) 7.469 2.370 ( 2.287 0.000 -5.007) 5.505 2.433 ( -8.532 0.000 1.163) 8.611 2.449 ( 19.639 0.000 -0.198) 19.640 2.469 ( 6.718 0.000 -1.255) 6.835 2.560 ( -7.726 0.000 -1.231) 7.823 2.706 ( -1.142 0.000 0.477) 1.238 2.832 ( 2.691 0.000 -2.351) 3.573 2.872 ( -2.012 0.000 6.548) 6.850 2.991 ( -2.679 0.000 -0.291) 2.694 3.102 ( -3.075 0.000 0.410) 3.102 3.143 ( -4.386 0.000 -3.812) 5.811 3.464 ( -9.117 0.000 0.820) 9.154 3.522 ( -4.577 0.000 -1.134) 4.716 3.586 ( 0.783 0.000 -1.289) 1.508 3.672 ( -1.784 0.000 3.960) 4.343 3.707 ( -2.657 0.000 -1.240) 2.933 3.850 ( -7.417 0.000 -2.213) 7.740 4.344 ( 1.209 0.000 -0.229) 1.230 4.356 ( 2.395 0.000 2.357) 3.360 4.424 ( 4.082 0.000 -2.218) 4.646 4.652 ( 0.788 0.000 0.966) 1.247 5.270 ( -0.523 0.000 -0.702) 0.875 5.293 ( 0.666 0.000 0.634) 0.919 7.645 ( 0.921 0.000 -0.234) 0.950 7.673 ( 0.196 0.000 0.424) 0.467 7.819 ( -0.676 0.000 -0.146) 0.692 8.473 ( -0.547 0.000 -0.665) 0.861 8.611 ( -0.834 0.000 -0.134) 0.844 8.670 ( -0.622 0.000 0.919) 1.110 8.716 ( 2.155 0.000 0.421) 2.196 8.785 ( 0.411 0.000 1.113) 1.186 8.803 ( 2.928 0.000 -1.483) 3.282 8.939 ( 0.212 0.000 -0.527) 0.568 9.142 ( 0.477 0.000 0.164) 0.505 9.565 ( -0.233 0.000 -0.004) 0.233 9.898 ( 4.704 0.000 2.743) 5.446 10.015 ( 3.381 0.000 -2.341) 4.112 10.122 ( 5.463 0.000 -0.831) 5.526 10.146 ( 3.723 0.000 1.562) 4.038 10.182 ( -3.956 0.000 -2.239) 4.545 10.237 ( -1.355 0.000 1.098) 1.744 10.469 ( -5.548 0.000 -2.176) 5.959 10.503 ( -2.693 0.000 1.497) 3.081 10.621 ( -1.540 0.000 0.527) 1.628 10.659 ( -1.035 0.000 -0.508) 1.153 11.215 ( 8.199 0.000 3.110) 8.768 11.239 ( 1.957 0.000 -3.310) 3.845 11.336 ( 0.618 0.000 -0.530) 0.814 11.398 ( 1.668 0.000 1.124) 2.012 11.534 ( 3.267 0.000 2.262) 3.974 11.604 ( -1.897 0.000 -2.603) 3.221 11.745 ( -4.454 0.000 -0.967) 4.558 11.805 ( -1.078 0.000 1.634) 1.957 12.056 ( -1.103 0.000 1.000) 1.488 12.061 ( -3.862 0.000 -0.985) 3.985 12.929 ( -1.230 0.000 1.356) 1.831 12.964 ( -2.071 0.000 -1.046) 2.320 13.285 ( -3.109 0.000 -2.176) 3.794 13.293 ( -1.250 0.000 1.845) 2.228 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 0.000 0.000) 0.000 0.904 ( 0.000 0.000 0.000) 0.000 1.021 ( 0.000 0.000 0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 1.109 ( 0.000 0.000 0.000) 0.000 1.246 ( 0.000 0.000 0.000) 0.000 1.255 ( -0.000 0.000 -0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.654 ( -0.000 0.000 -0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 -0.000) 0.000 2.255 ( -0.000 0.000 -0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 -0.000) 0.000 2.352 ( -0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 -0.000) 0.000 2.686 ( -0.000 0.000 0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 -0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.812 ( 0.000 0.000 0.000) 0.000 8.465 ( -0.000 0.000 0.000) 0.000 8.603 ( 0.000 0.000 0.000) 0.000 8.668 ( -0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 -0.000) 0.000 8.824 ( 0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 10.022 ( -0.000 0.000 -0.000) 0.000 10.031 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.225 ( -0.000 0.000 0.000) 0.000 10.247 ( 0.000 0.000 0.000) 0.000 10.376 ( 0.000 0.000 0.000) 0.000 10.477 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.649 ( 0.000 0.000 0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.289 ( 0.000 0.000 0.000) 0.000 11.422 ( -0.000 0.000 -0.000) 0.000 11.431 ( 0.000 0.000 0.000) 0.000 11.497 ( 0.000 0.000 0.000) 0.000 11.596 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.821 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.923 ( 0.000 0.000 0.000) 0.000 12.940 ( 0.000 0.000 0.000) 0.000 13.244 ( 0.000 0.000 0.000) 0.000 13.289 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( 0.000 11.465 0.000) 11.465 0.389 ( 0.000 18.777 0.000) 18.777 0.676 ( 0.000 29.955 0.000) 29.955 0.959 ( 0.000 8.419 0.000) 8.419 1.043 ( 0.000 -1.337 0.000) 1.337 1.146 ( 0.000 2.449 0.000) 2.449 1.157 ( 0.000 3.004 0.000) 3.004 1.171 ( 0.000 0.437 0.000) 0.437 1.183 ( 0.000 2.624 0.000) 2.624 1.311 ( 0.000 3.821 0.000) 3.821 1.431 ( 0.000 -0.476 0.000) 0.476 1.506 ( 0.000 0.376 0.000) 0.376 1.534 ( 0.000 2.002 0.000) 2.002 1.687 ( 0.000 1.469 0.000) 1.469 1.731 ( 0.000 0.608 0.000) 0.608 1.827 ( 0.000 0.628 0.000) 0.628 1.828 ( 0.000 3.496 0.000) 3.496 1.988 ( 0.000 -2.127 0.000) 2.127 2.088 ( 0.000 1.483 0.000) 1.483 2.287 ( 0.000 -4.844 0.000) 4.844 2.448 ( 0.000 -6.765 0.000) 6.765 2.586 ( 0.000 -7.897 0.000) 7.897 2.665 ( 0.000 -5.546 0.000) 5.546 2.705 ( 0.000 0.560 0.000) 0.560 2.721 ( 0.000 -5.836 0.000) 5.836 2.986 ( 0.000 1.804 0.000) 1.804 3.000 ( 0.000 2.276 0.000) 2.276 3.080 ( 0.000 6.887 0.000) 6.887 3.176 ( 0.000 2.543 0.000) 2.543 3.258 ( 0.000 0.426 0.000) 0.426 3.279 ( 0.000 -4.695 0.000) 4.695 3.529 ( 0.000 3.032 0.000) 3.032 3.529 ( 0.000 -6.678 0.000) 6.678 3.696 ( 0.000 -2.620 0.000) 2.620 3.819 ( 0.000 -4.713 0.000) 4.713 4.036 ( 0.000 -3.155 0.000) 3.155 4.237 ( 0.000 5.597 0.000) 5.597 4.334 ( 0.000 4.058 0.000) 4.058 4.365 ( 0.000 -1.052 0.000) 1.052 4.643 ( 0.000 -3.269 0.000) 3.269 5.141 ( 0.000 -10.733 0.000) 10.733 5.246 ( 0.000 -8.719 0.000) 8.719 7.644 ( 0.000 4.699 0.000) 4.699 7.703 ( 0.000 5.523 0.000) 5.523 7.892 ( 0.000 2.749 0.000) 2.749 8.540 ( 0.000 -4.766 0.000) 4.766 8.611 ( 0.000 4.225 0.000) 4.225 8.613 ( 0.000 -3.652 0.000) 3.652 8.632 ( 0.000 -5.025 0.000) 5.025 8.672 ( 0.000 -0.451 0.000) 0.451 8.741 ( 0.000 -0.597 0.000) 0.597 8.933 ( 0.000 1.451 0.000) 1.451 9.119 ( 0.000 -1.248 0.000) 1.248 9.510 ( 0.000 -6.155 0.000) 6.155 9.792 ( 0.000 3.690 0.000) 3.690 9.905 ( 0.000 1.987 0.000) 1.987 9.949 ( 0.000 1.418 0.000) 1.418 9.974 ( 0.000 2.797 0.000) 2.797 10.236 ( 0.000 1.104 0.000) 1.104 10.304 ( 0.000 2.167 0.000) 2.167 10.586 ( 0.000 -2.566 0.000) 2.566 10.614 ( 0.000 1.108 0.000) 1.108 10.696 ( 0.000 0.952 0.000) 0.952 10.746 ( 0.000 -1.340 0.000) 1.340 11.080 ( 0.000 1.443 0.000) 1.443 11.123 ( 0.000 2.643 0.000) 2.643 11.236 ( 0.000 -3.687 0.000) 3.687 11.376 ( 0.000 -2.740 0.000) 2.740 11.425 ( 0.000 -6.000 0.000) 6.000 11.457 ( 0.000 -1.292 0.000) 1.292 11.796 ( 0.000 0.688 0.000) 0.688 12.024 ( 0.000 -0.825 0.000) 0.825 12.061 ( 0.000 -2.914 0.000) 2.914 12.211 ( 0.000 -3.132 0.000) 3.132 12.977 ( 0.000 2.652 0.000) 2.652 13.183 ( 0.000 0.059 0.000) 0.059 13.271 ( 0.000 3.659 0.000) 3.659 13.505 ( 0.000 0.238 0.000) 0.238 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 8.180 10.440 4.327) 13.951 0.501 ( 12.278 11.918 1.609) 17.187 0.937 ( 15.462 14.953 3.812) 21.845 0.969 ( 4.392 6.202 -3.961) 8.570 1.054 ( 2.276 3.513 0.795) 4.261 1.125 ( 0.467 2.719 -2.975) 4.058 1.172 ( 0.389 0.423 0.542) 0.790 1.203 ( 1.395 2.189 1.285) 2.896 1.227 ( 4.168 2.397 0.456) 4.829 1.329 ( 0.826 1.138 1.748) 2.244 1.446 ( 1.500 2.226 2.052) 3.378 1.505 ( 0.736 0.744 -1.364) 1.719 1.547 ( 2.364 2.516 -1.198) 3.654 1.660 ( -1.390 0.809 -1.344) 2.096 1.741 ( -0.001 3.273 0.636) 3.334 1.820 ( -0.790 -1.436 1.938) 2.538 1.887 ( 4.495 2.840 -0.342) 5.328 1.995 ( 0.023 -2.165 1.716) 2.762 2.104 ( -5.668 -1.302 -5.557) 8.044 2.144 ( 1.488 0.754 -1.938) 2.557 2.463 ( 1.576 -5.195 -6.161) 8.212 2.556 ( -5.948 0.200 -1.107) 6.053 2.626 ( -1.597 -5.108 1.765) 5.636 2.689 ( 0.417 -4.540 1.722) 4.873 2.764 ( -1.260 -4.511 6.315) 7.862 2.939 ( -5.359 2.100 -1.401) 5.924 2.972 ( -5.006 0.330 5.650) 7.556 3.004 ( -2.221 4.470 -4.544) 6.750 3.220 ( -3.152 -1.256 -1.102) 3.567 3.265 ( 3.062 3.361 3.259) 5.594 3.300 ( 0.815 -4.745 2.926) 5.633 3.414 ( -0.929 -0.546 -2.988) 3.176 3.634 ( 0.622 -2.058 -0.470) 2.200 3.687 ( 2.437 -1.677 1.669) 3.396 3.845 ( -0.840 -2.918 0.965) 3.186 4.043 ( 3.114 -5.477 -0.653) 6.334 4.249 ( 1.403 2.179 -0.722) 2.691 4.308 ( -4.491 0.408 -2.839) 5.328 4.337 ( 0.933 4.198 0.020) 4.300 4.653 ( -0.012 -2.063 1.287) 2.431 5.147 ( 0.246 -10.520 0.759) 10.550 5.229 ( -1.428 -9.029 -0.864) 9.182 7.653 ( 1.019 4.752 -0.027) 4.860 7.706 ( 0.465 5.727 0.114) 5.747 7.885 ( -0.634 2.804 -0.227) 2.884 8.555 ( 0.219 -1.715 -1.501) 2.289 8.558 ( -1.336 -2.275 1.839) 3.216 8.629 ( -0.617 -5.046 0.590) 5.117 8.665 ( -0.402 0.208 -0.148) 0.476 8.675 ( 4.049 -0.327 -1.098) 4.208 8.747 ( 0.399 -0.688 0.437) 0.908 8.941 ( 0.440 0.919 0.141) 1.028 9.113 ( -0.128 -0.892 -0.067) 0.903 9.513 ( 0.191 -5.961 0.003) 5.964 9.806 ( 1.077 3.674 1.005) 3.958 9.925 ( 1.968 2.547 0.135) 3.221 9.956 ( 2.438 0.885 -1.242) 2.876 10.011 ( 3.494 2.736 -0.294) 4.447 10.258 ( 1.436 0.911 0.319) 1.731 10.303 ( 0.359 2.049 -0.526) 2.146 10.543 ( -2.286 -1.331 -0.508) 2.694 10.588 ( -3.319 0.839 1.203) 3.628 10.723 ( 0.339 -0.995 -0.534) 1.179 10.782 ( 3.244 1.082 0.670) 3.485 11.013 ( -4.987 0.581 -0.896) 5.100 11.119 ( 0.459 0.653 0.791) 1.124 11.293 ( 4.912 -3.094 -0.106) 5.806 11.377 ( -0.863 -2.691 0.277) 2.839 11.406 ( -0.727 -3.000 -1.106) 3.279 11.483 ( 2.977 -2.416 0.235) 3.841 11.824 ( 1.291 -0.039 1.466) 1.954 11.953 ( -4.001 0.585 -3.123) 5.109 12.066 ( -1.275 -2.669 2.159) 3.662 12.185 ( -2.683 -3.013 -0.271) 4.044 12.981 ( -0.704 2.109 0.893) 2.396 13.132 ( -3.292 1.510 -2.086) 4.179 13.289 ( -0.182 2.036 2.741) 3.419 13.468 ( -2.983 0.126 -1.681) 3.427 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 9.266 10.502 1.289) 14.065 0.787 ( 14.705 3.715 3.345) 15.531 0.968 ( 1.108 1.008 -3.883) 4.162 1.042 ( 3.082 5.417 -2.262) 6.631 1.114 ( 1.220 1.817 -2.033) 2.987 1.127 ( 0.277 1.545 -1.697) 2.311 1.217 ( 0.401 1.208 2.104) 2.459 1.280 ( 3.584 2.754 -2.666) 5.248 1.302 ( 3.748 3.354 0.670) 5.074 1.379 ( 1.415 -0.562 4.907) 5.137 1.487 ( 0.875 1.274 -6.981) 7.150 1.541 ( 2.443 0.652 2.675) 3.681 1.619 ( -0.871 -0.579 -0.428) 1.130 1.660 ( 8.320 11.539 2.091) 14.378 1.737 ( -0.181 6.628 -0.760) 6.674 1.787 ( -4.998 -1.055 0.136) 5.110 1.886 ( 2.552 0.108 2.590) 3.638 2.033 ( 2.759 -1.828 1.953) 3.843 2.135 ( 14.958 4.433 -1.791) 15.703 2.236 ( 5.802 3.042 1.950) 6.835 2.391 ( -1.257 -3.626 -5.607) 6.794 2.476 ( -3.524 -1.035 0.679) 3.735 2.588 ( -3.392 -2.696 0.076) 4.334 2.699 ( -3.487 1.522 1.883) 4.245 2.783 ( -0.624 -4.270 0.112) 4.316 2.805 ( -9.213 2.054 0.247) 9.442 2.840 ( -4.636 0.379 2.410) 5.238 2.997 ( -2.834 -4.472 1.783) 5.587 3.132 ( -5.183 -3.769 -2.005) 6.715 3.227 ( -3.055 -1.302 -1.255) 3.551 3.367 ( 2.416 -6.403 1.117) 6.934 3.479 ( 4.505 0.432 1.478) 4.761 3.615 ( 1.558 1.546 -2.965) 3.689 3.756 ( -3.718 0.909 0.119) 3.830 3.775 ( -2.616 -1.497 4.892) 5.746 4.078 ( -5.628 -2.225 -4.597) 7.600 4.219 ( 1.396 -2.051 3.958) 4.672 4.262 ( 1.857 -3.036 -2.480) 4.337 4.374 ( 3.314 1.867 -1.696) 4.165 4.661 ( -0.501 0.482 1.529) 1.680 5.163 ( 0.578 -10.249 0.998) 10.314 5.188 ( -1.684 -9.914 -1.247) 10.133 7.676 ( 1.409 4.878 -0.082) 5.078 7.719 ( 0.610 5.491 0.319) 5.534 7.868 ( -0.932 2.946 -0.221) 3.098 8.515 ( -1.353 0.880 -0.954) 1.875 8.596 ( 2.024 -3.930 0.214) 4.425 8.619 ( -1.515 -4.378 1.542) 4.882 8.663 ( 0.544 -0.394 -0.112) 0.681 8.738 ( 4.041 -0.396 -1.654) 4.385 8.760 ( 0.314 -0.910 1.026) 1.406 8.948 ( 0.373 0.871 -0.280) 0.988 9.116 ( 0.367 -1.283 0.077) 1.336 9.515 ( -0.036 -5.313 0.032) 5.313 9.851 ( 2.635 3.716 1.757) 4.883 9.977 ( 4.113 2.239 -0.765) 4.745 10.025 ( 5.883 1.078 -0.820) 6.037 10.085 ( 4.900 2.624 -0.442) 5.576 10.256 ( -1.760 0.315 -0.185) 1.798 10.300 ( -1.472 2.335 0.014) 2.760 10.519 ( -0.139 -0.658 -0.443) 0.806 10.538 ( -3.119 -0.107 0.908) 3.250 10.693 ( -2.748 0.187 -0.060) 2.755 10.751 ( -6.167 2.610 -1.178) 6.799 11.024 ( 6.243 -1.281 1.720) 6.601 11.169 ( 4.986 -1.573 -1.529) 5.447 11.319 ( -2.638 -3.541 -0.906) 4.507 11.371 ( 1.138 -2.511 -0.186) 2.763 11.433 ( 2.969 -1.036 2.551) 4.049 11.548 ( 3.495 -2.804 -0.032) 4.481 11.834 ( -1.622 -0.288 0.230) 1.664 11.855 ( -3.801 1.395 -1.893) 4.470 12.051 ( -2.169 -2.401 1.780) 3.693 12.120 ( -3.822 -2.317 -0.493) 4.497 12.966 ( -1.900 2.081 1.339) 3.120 13.048 ( -3.731 1.667 -1.854) 4.487 13.303 ( -1.142 0.913 2.846) 3.199 13.380 ( -4.164 0.170 -2.455) 4.836 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 6.218 9.562 -0.600) 11.422 0.943 ( 0.805 2.208 -3.245) 4.007 1.006 ( 4.435 -0.844 0.964) 4.617 1.082 ( 1.297 1.469 -1.092) 2.243 1.114 ( 1.440 2.499 -2.295) 3.686 1.155 ( 4.794 0.246 0.648) 4.844 1.240 ( 0.521 1.540 1.989) 2.569 1.289 ( 0.579 1.310 -2.348) 2.751 1.338 ( 0.788 1.386 -0.118) 1.598 1.368 ( -4.016 2.212 -3.143) 5.558 1.481 ( 4.111 2.508 2.613) 5.479 1.576 ( 0.221 0.172 0.242) 0.370 1.612 ( 0.843 2.063 0.053) 2.230 1.660 ( -1.883 8.345 -0.620) 8.577 1.751 ( -1.075 3.010 0.385) 3.219 1.788 ( 3.021 5.400 0.942) 6.259 2.006 ( 1.894 -3.658 1.694) 4.453 2.166 ( 4.582 0.700 7.670) 8.962 2.296 ( 1.619 -2.780 -4.357) 5.416 2.399 ( -5.023 -0.756 1.452) 5.283 2.430 ( 5.039 0.418 -0.842) 5.126 2.479 ( 15.087 4.519 -1.048) 15.784 2.503 ( 1.536 2.036 -2.387) 3.494 2.583 ( -4.108 1.606 -0.397) 4.428 2.696 ( -1.501 -0.342 1.429) 2.101 2.810 ( 3.870 -2.162 -2.329) 5.008 2.841 ( -0.969 -2.471 5.853) 6.427 2.946 ( -2.750 -5.680 0.793) 6.360 3.022 ( -2.900 -3.551 -2.772) 5.358 3.169 ( -2.643 0.471 0.040) 2.685 3.384 ( -1.563 -9.294 0.621) 9.445 3.482 ( -7.437 0.508 -2.149) 7.758 3.588 ( -8.487 2.106 0.089) 8.745 3.670 ( 2.093 0.574 2.040) 2.978 3.811 ( 0.194 4.709 2.356) 5.269 3.871 ( -7.209 2.089 -4.167) 8.584 4.264 ( 1.313 -6.289 -1.474) 6.591 4.335 ( 3.433 -2.813 3.462) 5.629 4.409 ( 2.303 -1.641 -2.394) 3.705 4.667 ( -0.075 1.019 1.043) 1.460 5.153 ( -0.858 -11.134 -0.899) 11.203 5.183 ( 0.446 -10.317 0.672) 10.349 7.697 ( 0.932 5.016 -0.123) 5.104 7.730 ( 0.214 5.336 0.281) 5.348 7.851 ( -0.630 3.094 -0.083) 3.159 8.491 ( -0.370 1.051 -0.944) 1.460 8.602 ( -1.121 -2.254 1.005) 2.711 8.625 ( 0.701 -3.024 0.058) 3.105 8.682 ( 1.183 -3.000 0.153) 3.229 8.770 ( 0.875 -0.987 -0.186) 1.332 8.794 ( 2.298 -0.651 -0.053) 2.389 8.950 ( 0.203 0.953 -0.353) 1.036 9.124 ( 0.363 -1.611 0.093) 1.654 9.513 ( -0.127 -4.898 0.039) 4.900 9.936 ( 4.698 3.606 2.519) 6.436 10.039 ( 3.459 2.152 -2.120) 4.592 10.138 ( 6.334 1.569 -0.584) 6.552 10.169 ( 3.329 2.260 0.932) 4.130 10.206 ( -3.487 1.893 -1.347) 4.191 10.245 ( -2.227 1.049 0.606) 2.535 10.468 ( -4.877 -0.218 -1.872) 5.229 10.504 ( -2.027 0.139 1.079) 2.300 10.640 ( -2.151 1.502 0.653) 2.704 10.673 ( -1.154 1.786 -0.438) 2.171 11.162 ( 5.113 -3.586 0.752) 6.290 11.248 ( 3.369 -0.519 -1.356) 3.668 11.272 ( 0.953 -5.536 -0.398) 5.631 11.379 ( 0.301 -2.719 0.631) 2.808 11.521 ( 3.700 -0.851 2.297) 4.437 11.576 ( -0.595 -2.175 -1.459) 2.686 11.760 ( -4.287 1.224 -1.522) 4.711 11.814 ( -1.106 0.891 1.601) 2.140 12.028 ( -1.753 -2.164 0.243) 2.796 12.051 ( -2.595 -1.351 -0.120) 2.928 12.942 ( -1.682 1.227 0.961) 2.293 12.976 ( -2.509 1.023 -1.079) 2.917 13.294 ( -2.683 0.867 -1.726) 3.306 13.302 ( -1.197 0.788 1.746) 2.259 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 9.181 -0.000) 9.181 0.936 ( 0.000 2.647 0.000) 2.647 1.026 ( 0.000 0.533 0.000) 0.533 1.084 ( 0.000 0.030 0.000) 0.030 1.124 ( -0.000 1.533 0.000) 1.533 1.216 ( 0.000 -2.008 0.000) 2.008 1.259 ( -0.000 0.397 -0.000) 0.397 1.274 ( 0.000 0.342 0.000) 0.342 1.317 ( -0.000 3.288 0.000) 3.288 1.344 ( 0.000 1.994 -0.000) 1.994 1.548 ( 0.000 -1.115 -0.000) 1.115 1.572 ( 0.000 3.016 0.000) 3.016 1.640 ( 0.000 8.276 0.000) 8.276 1.653 ( -0.000 -0.133 -0.000) 0.133 1.727 ( 0.000 11.833 0.000) 11.833 1.834 ( -0.000 7.207 0.000) 7.207 2.014 ( 0.000 -5.543 -0.000) 5.543 2.255 ( 0.000 -2.983 -0.000) 2.983 2.266 ( -0.000 -3.226 0.000) 3.226 2.336 ( 0.000 0.548 -0.000) 0.548 2.406 ( 0.000 0.288 0.000) 0.288 2.441 ( 0.000 -2.050 0.000) 2.050 2.636 ( 0.000 -0.885 0.000) 0.885 2.680 ( -0.000 -1.088 0.000) 1.088 2.708 ( 0.000 0.430 0.000) 0.430 2.840 ( 0.000 -2.566 -0.000) 2.566 2.884 ( -0.000 -6.995 0.000) 6.995 2.955 ( -0.000 -0.749 0.000) 0.749 3.076 ( 0.000 5.102 0.000) 5.102 3.118 ( 0.000 3.666 0.000) 3.666 3.264 ( 0.000 0.541 -0.000) 0.541 3.361 ( 0.000 -7.646 -0.000) 7.646 3.473 ( 0.000 -1.080 -0.000) 1.080 3.733 ( 0.000 3.917 0.000) 3.917 3.782 ( -0.000 -1.761 -0.000) 1.761 3.829 ( -0.000 7.235 0.000) 7.235 4.269 ( 0.000 -6.605 -0.000) 6.605 4.386 ( 0.000 -0.481 -0.000) 0.481 4.415 ( 0.000 -4.404 0.000) 4.404 4.673 ( -0.000 0.417 -0.000) 0.417 5.141 ( 0.000 -11.614 0.000) 11.614 5.190 ( 0.000 -10.577 0.000) 10.577 7.705 ( 0.000 5.064 0.000) 5.064 7.733 ( 0.000 5.308 0.000) 5.308 7.845 ( -0.000 3.155 -0.000) 3.155 8.484 ( -0.000 1.135 0.000) 1.135 8.596 ( 0.000 -2.116 0.000) 2.116 8.631 ( 0.000 -1.916 0.000) 1.916 8.694 ( 0.000 -4.134 0.000) 4.134 8.778 ( 0.000 -1.257 -0.000) 1.257 8.817 ( 0.000 -0.595 -0.000) 0.595 8.950 ( -0.000 1.004 0.000) 1.004 9.128 ( 0.000 -1.722 0.000) 1.722 9.512 ( 0.000 -4.788 0.000) 4.788 10.049 ( 0.000 2.273 0.000) 2.273 10.057 ( -0.000 2.122 -0.000) 2.122 10.081 ( 0.000 4.953 0.000) 4.953 10.193 ( -0.000 0.969 0.000) 0.969 10.240 ( 0.000 1.172 0.000) 1.172 10.259 ( -0.000 1.230 0.000) 1.230 10.381 ( 0.000 0.370 0.000) 0.370 10.484 ( 0.000 0.594 0.000) 0.594 10.627 ( 0.000 0.733 0.000) 0.733 10.667 ( -0.000 2.162 -0.000) 2.162 11.193 ( 0.000 -2.935 0.000) 2.935 11.244 ( -0.000 -4.418 0.000) 4.418 11.348 ( -0.000 -5.717 -0.000) 5.717 11.395 ( -0.000 -4.379 -0.000) 4.379 11.523 ( 0.000 1.813 0.000) 1.813 11.591 ( -0.000 -0.607 -0.000) 0.607 11.692 ( 0.000 1.662 0.000) 1.662 11.824 ( 0.000 0.444 0.000) 0.444 11.994 ( 0.000 -1.707 0.000) 1.707 12.039 ( 0.000 -1.324 0.000) 1.324 12.931 ( 0.000 0.662 0.000) 0.662 12.946 ( -0.000 0.540 -0.000) 0.540 13.261 ( 0.000 1.463 0.000) 1.463 13.299 ( 0.000 0.887 0.000) 0.887 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 15.742 0.000) 15.742 0.754 ( 0.000 15.798 0.000) 15.798 1.014 ( 0.000 -0.813 0.000) 0.813 1.027 ( 0.000 0.337 0.000) 0.337 1.140 ( 0.000 12.430 0.000) 12.430 1.156 ( 0.000 -0.434 0.000) 0.434 1.211 ( 0.000 3.607 0.000) 3.607 1.244 ( 0.000 3.341 0.000) 3.341 1.302 ( 0.000 5.866 0.000) 5.866 1.370 ( 0.000 -4.437 0.000) 4.437 1.420 ( 0.000 5.903 0.000) 5.903 1.540 ( 0.000 4.181 0.000) 4.181 1.616 ( 0.000 2.503 0.000) 2.503 1.752 ( 0.000 1.294 0.000) 1.294 1.798 ( 0.000 11.344 0.000) 11.344 1.848 ( 0.000 1.807 0.000) 1.807 1.871 ( 0.000 -1.697 0.000) 1.697 2.013 ( 0.000 6.011 0.000) 6.011 2.129 ( 0.000 2.206 0.000) 2.206 2.169 ( 0.000 -5.666 0.000) 5.666 2.324 ( 0.000 -5.385 0.000) 5.385 2.381 ( 0.000 -10.088 0.000) 10.088 2.508 ( 0.000 -8.227 0.000) 8.227 2.545 ( 0.000 -8.813 0.000) 8.813 2.735 ( 0.000 2.322 0.000) 2.322 2.961 ( 0.000 -6.237 0.000) 6.237 3.030 ( 0.000 -2.063 0.000) 2.063 3.150 ( 0.000 3.306 0.000) 3.306 3.156 ( 0.000 -7.227 0.000) 7.227 3.337 ( 0.000 12.032 0.000) 12.032 3.382 ( 0.000 -5.320 0.000) 5.320 3.385 ( 0.000 11.695 0.000) 11.695 3.603 ( 0.000 3.908 0.000) 3.908 3.610 ( 0.000 -5.723 0.000) 5.723 3.744 ( 0.000 -1.677 0.000) 1.677 3.953 ( 0.000 -4.685 0.000) 4.685 4.309 ( 0.000 2.898 0.000) 2.898 4.321 ( 0.000 -3.890 0.000) 3.890 4.484 ( 0.000 8.666 0.000) 8.666 4.509 ( 0.000 -10.854 0.000) 10.854 4.840 ( 0.000 -17.458 0.000) 17.458 5.023 ( 0.000 -11.538 0.000) 11.538 7.785 ( 0.000 8.880 0.000) 8.880 7.861 ( 0.000 9.587 0.000) 9.587 7.976 ( 0.000 5.393 0.000) 5.393 8.411 ( 0.000 -7.705 0.000) 7.705 8.476 ( 0.000 -8.814 0.000) 8.814 8.504 ( 0.000 -7.746 0.000) 7.746 8.667 ( 0.000 -0.122 0.000) 0.122 8.698 ( 0.000 0.856 0.000) 0.856 8.760 ( 0.000 5.792 0.000) 5.792 8.967 ( 0.000 1.757 0.000) 1.757 9.086 ( 0.000 -1.887 0.000) 1.887 9.349 ( 0.000 -9.166 0.000) 9.166 9.892 ( 0.000 5.522 0.000) 5.522 9.945 ( 0.000 1.951 0.000) 1.951 9.993 ( 0.000 2.510 0.000) 2.510 10.034 ( 0.000 2.311 0.000) 2.311 10.263 ( 0.000 1.502 0.000) 1.502 10.371 ( 0.000 4.589 0.000) 4.589 10.511 ( 0.000 -4.672 0.000) 4.672 10.662 ( 0.000 3.880 0.000) 3.880 10.700 ( 0.000 -3.241 0.000) 3.241 10.741 ( 0.000 3.703 0.000) 3.703 11.122 ( 0.000 -7.244 0.000) 7.244 11.124 ( 0.000 2.721 0.000) 2.721 11.191 ( 0.000 3.769 0.000) 3.769 11.253 ( 0.000 -10.075 0.000) 10.075 11.315 ( 0.000 -3.149 0.000) 3.149 11.417 ( 0.000 -2.624 0.000) 2.624 11.819 ( 0.000 1.513 0.000) 1.513 11.989 ( 0.000 -3.802 0.000) 3.802 12.007 ( 0.000 -0.582 0.000) 0.582 12.132 ( 0.000 -4.148 0.000) 4.148 13.045 ( 0.000 3.629 0.000) 3.629 13.180 ( 0.000 -0.432 0.000) 0.432 13.359 ( 0.000 4.442 0.000) 4.442 13.506 ( 0.000 -0.235 0.000) 0.235 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 8.340 13.424 0.587) 15.815 0.781 ( 3.923 12.934 -0.450) 13.524 0.994 ( -0.203 -0.120 -1.661) 1.678 1.051 ( 0.962 0.248 1.384) 1.704 1.146 ( -0.232 -0.371 -0.943) 1.040 1.201 ( 1.681 3.329 1.762) 4.124 1.231 ( 2.430 4.829 -0.479) 5.427 1.281 ( 3.075 3.292 0.790) 4.573 1.307 ( 1.293 4.663 0.135) 4.841 1.376 ( 0.199 0.623 -0.603) 0.889 1.446 ( 1.588 0.189 3.139) 3.523 1.545 ( 1.505 3.904 -1.922) 4.605 1.615 ( 0.750 0.635 -1.280) 1.614 1.785 ( 2.153 2.767 -1.649) 3.874 1.822 ( 2.023 4.678 0.579) 5.130 1.842 ( 3.544 11.213 0.365) 11.765 1.922 ( 1.337 -0.984 3.087) 3.506 1.991 ( 0.846 1.055 -10.205) 10.294 2.098 ( 0.527 3.188 2.790) 4.269 2.182 ( 4.470 2.445 1.446) 5.296 2.344 ( 1.524 -4.633 -2.057) 5.294 2.485 ( 2.825 -8.362 3.864) 9.635 2.532 ( 3.686 -5.815 2.661) 7.381 2.568 ( 1.538 -4.457 -0.503) 4.742 2.661 ( -7.882 -0.795 1.947) 8.158 2.914 ( -3.641 -4.753 1.882) 6.276 3.001 ( -2.321 0.355 -1.983) 3.073 3.080 ( -6.021 1.108 -1.938) 6.422 3.151 ( -3.098 -7.388 3.675) 8.814 3.282 ( -7.736 8.075 -4.347) 11.998 3.363 ( -2.151 3.321 -0.262) 3.966 3.394 ( 4.171 1.505 0.373) 4.450 3.607 ( 0.240 -2.539 2.279) 3.420 3.638 ( 2.991 0.315 -0.640) 3.075 3.797 ( 3.037 -1.549 2.090) 3.999 3.932 ( -0.631 -4.626 -1.112) 4.799 4.254 ( -2.838 -1.370 -1.890) 3.674 4.305 ( -2.950 -0.770 -0.103) 3.050 4.442 ( -1.382 2.947 -4.005) 5.161 4.562 ( 2.934 -7.099 1.832) 7.897 4.863 ( 1.037 -15.034 2.361) 15.253 5.001 ( -2.117 -11.383 -0.725) 11.601 7.795 ( 0.930 8.865 0.260) 8.918 7.866 ( 0.544 9.553 -0.214) 9.571 7.970 ( -0.592 5.401 -0.078) 5.434 8.431 ( 1.825 -7.492 0.546) 7.730 8.478 ( -1.160 -8.241 2.743) 8.762 8.495 ( 0.996 -7.284 -3.588) 8.180 8.665 ( -0.119 0.058 -0.099) 0.165 8.711 ( 0.667 -0.256 0.896) 1.146 8.768 ( 1.181 6.012 -0.567) 6.153 8.969 ( 0.109 1.595 0.080) 1.601 9.083 ( -0.169 -1.829 -0.044) 1.837 9.355 ( 0.512 -9.119 0.103) 9.134 9.906 ( 1.142 5.554 1.036) 5.764 9.974 ( 3.201 2.028 -0.121) 3.792 9.996 ( 1.640 2.866 -1.373) 3.576 10.067 ( 3.122 2.125 0.216) 3.782 10.284 ( 1.267 1.561 0.803) 2.165 10.355 ( -0.470 3.039 -1.802) 3.564 10.506 ( -0.529 -2.140 0.720) 2.319 10.608 ( -4.771 0.831 1.393) 5.040 10.716 ( 1.479 0.797 -1.124) 2.022 10.805 ( 4.374 1.631 0.730) 4.725 11.021 ( -6.420 -0.436 -0.981) 6.509 11.099 ( -2.423 -4.146 0.631) 4.843 11.234 ( 4.453 -1.150 -2.318) 5.150 11.300 ( 1.055 -5.121 0.611) 5.264 11.333 ( 1.789 -2.513 1.803) 3.573 11.427 ( 2.117 -2.925 -0.754) 3.689 11.831 ( 0.344 0.875 1.232) 1.550 11.955 ( -2.270 -0.539 -2.300) 3.276 12.003 ( -1.259 -2.728 1.745) 3.474 12.111 ( -1.974 -3.908 -0.557) 4.414 13.041 ( -1.247 3.338 1.375) 3.819 13.155 ( -2.804 0.425 -0.025) 2.836 13.346 ( -1.434 3.251 0.560) 3.597 13.468 ( -3.125 -0.266 -1.654) 3.545 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 9.191 10.326 -0.607) 13.837 0.889 ( 6.820 5.585 1.262) 8.905 0.983 ( 0.315 0.678 -1.017) 1.262 1.086 ( 1.631 0.613 1.625) 2.382 1.126 ( -0.608 -0.102 -1.497) 1.619 1.204 ( -0.530 2.842 -1.006) 3.061 1.261 ( 0.333 2.739 1.051) 2.952 1.329 ( 0.708 1.338 -0.883) 1.753 1.346 ( 1.949 1.107 -0.092) 2.244 1.386 ( 0.311 2.383 5.058) 5.600 1.497 ( 1.792 -4.145 -0.423) 4.536 1.552 ( 2.442 3.894 -4.940) 6.747 1.617 ( -0.448 0.123 0.535) 0.708 1.754 ( -0.544 -0.930 -0.305) 1.120 1.862 ( -3.684 2.341 -3.510) 5.602 1.908 ( 4.391 8.292 -0.570) 9.400 1.971 ( 5.470 5.841 -1.236) 8.098 2.026 ( 7.773 3.381 2.077) 8.727 2.263 ( 12.482 5.283 0.218) 13.556 2.310 ( 1.843 2.323 0.777) 3.065 2.332 ( 5.679 0.462 -2.887) 6.387 2.474 ( -4.884 2.534 3.073) 6.302 2.534 ( 2.562 -0.809 -0.995) 2.865 2.632 ( 2.829 -7.672 1.855) 8.385 2.687 ( 2.910 -2.631 5.079) 6.417 2.841 ( -7.067 -3.495 3.003) 8.436 2.880 ( -12.056 3.609 1.249) 12.646 2.947 ( -5.232 -0.282 -2.160) 5.667 3.065 ( -8.321 2.276 -7.218) 11.248 3.135 ( -1.077 -7.334 2.503) 7.824 3.306 ( -2.897 2.060 -1.699) 3.940 3.472 ( 3.704 -1.347 0.550) 3.980 3.673 ( 3.699 -1.574 3.249) 5.169 3.699 ( 3.020 0.396 1.374) 3.342 3.786 ( -4.213 2.297 -0.026) 4.798 3.976 ( 3.463 -7.346 -0.296) 8.127 4.191 ( -1.840 -1.999 -1.524) 3.115 4.221 ( -5.029 0.291 -0.985) 5.133 4.379 ( -1.088 -3.538 -3.654) 5.201 4.625 ( 1.543 -5.792 2.736) 6.589 4.899 ( 0.194 -13.053 1.429) 13.132 4.939 ( -3.120 -11.773 -1.385) 12.258 7.819 ( 1.326 8.808 0.293) 8.912 7.875 ( 0.609 9.370 -0.174) 9.391 7.956 ( -0.841 5.494 -0.007) 5.558 8.472 ( -0.883 -6.066 1.952) 6.433 8.479 ( 2.626 -6.754 -2.742) 7.748 8.491 ( 0.859 -7.839 0.667) 7.915 8.661 ( -0.185 0.210 -0.287) 0.401 8.731 ( 0.649 -1.617 0.756) 1.899 8.792 ( 1.965 5.910 -0.576) 6.254 8.972 ( 0.152 1.383 -0.007) 1.391 9.082 ( 0.024 -1.954 0.004) 1.954 9.366 ( 0.505 -8.851 0.114) 8.866 9.953 ( 2.711 5.691 1.583) 6.499 10.034 ( 3.759 3.061 -1.029) 4.955 10.055 ( 5.899 1.728 -0.522) 6.169 10.141 ( 4.845 2.046 -0.119) 5.261 10.278 ( -2.118 2.100 -0.543) 3.032 10.350 ( -0.051 2.193 0.162) 2.199 10.509 ( 0.363 -0.222 -0.118) 0.442 10.534 ( -4.305 -0.175 0.584) 4.348 10.709 ( -1.758 1.638 0.007) 2.403 10.811 ( -4.565 3.023 -0.948) 5.556 10.986 ( 3.946 -2.326 1.440) 4.801 11.093 ( 1.768 -6.207 -1.056) 6.540 11.253 ( -1.140 -2.313 -1.129) 2.816 11.303 ( 0.819 -3.608 -1.359) 3.942 11.406 ( 3.665 -1.353 2.807) 4.811 11.480 ( 3.368 -3.407 0.020) 4.791 11.835 ( -1.174 0.591 0.595) 1.443 11.887 ( -2.938 1.539 -1.461) 3.624 11.991 ( -1.619 -3.072 1.493) 3.780 12.059 ( -2.862 -3.330 -0.573) 4.428 13.019 ( -2.649 2.786 1.314) 4.062 13.082 ( -4.336 1.353 -1.007) 4.652 13.328 ( -1.555 1.439 1.685) 2.707 13.383 ( -3.831 -0.001 -1.926) 4.287 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 5.635 7.992 -1.720) 9.929 0.978 ( 0.923 0.430 -0.665) 1.216 1.015 ( 3.563 2.907 1.786) 4.933 1.105 ( 0.350 1.208 -1.441) 1.913 1.143 ( 2.335 -0.543 1.562) 2.861 1.184 ( -0.173 2.999 -1.531) 3.372 1.267 ( -1.208 1.094 1.777) 2.412 1.310 ( -0.971 1.283 -1.027) 1.908 1.373 ( 1.696 1.513 -0.921) 2.452 1.420 ( -2.831 2.310 4.112) 5.501 1.516 ( 0.880 -1.434 1.757) 2.433 1.559 ( 3.424 2.128 -5.233) 6.606 1.626 ( 0.681 0.199 1.443) 1.608 1.754 ( -4.003 1.817 0.198) 4.400 1.808 ( 4.410 -0.538 0.330) 4.455 1.987 ( 4.941 4.249 -2.341) 6.924 2.048 ( 7.787 11.363 -4.594) 14.522 2.140 ( -0.801 -1.627 6.437) 6.687 2.236 ( 0.289 -3.037 -3.852) 4.913 2.379 ( 0.669 -3.376 -1.550) 3.775 2.436 ( -7.265 1.528 2.880) 7.963 2.535 ( 5.247 1.156 -0.618) 5.409 2.580 ( -7.646 1.428 -0.191) 7.780 2.626 ( 4.088 2.149 0.041) 4.619 2.688 ( -7.693 -4.755 0.504) 9.058 2.728 ( 2.967 -3.041 2.100) 4.739 2.834 ( -1.473 1.887 -2.375) 3.372 2.891 ( 8.326 6.956 1.351) 10.933 2.974 ( 5.673 1.640 0.372) 5.917 3.146 ( -0.645 -5.799 2.723) 6.438 3.235 ( -2.495 0.065 -2.539) 3.561 3.513 ( -2.260 1.368 -0.422) 2.675 3.656 ( -7.615 4.712 2.188) 9.218 3.709 ( -1.336 4.251 1.515) 4.707 3.835 ( 4.245 -2.821 4.082) 6.530 3.926 ( -3.112 2.368 -5.295) 6.583 4.137 ( -1.228 -4.983 -3.859) 6.421 4.223 ( 2.569 -7.399 3.426) 8.549 4.345 ( -0.127 -6.440 -1.882) 6.710 4.665 ( 0.284 -3.294 2.842) 4.359 4.847 ( -2.882 -15.913 -2.553) 16.373 4.919 ( -0.533 -13.026 0.679) 13.055 7.842 ( 0.944 8.811 0.068) 8.862 7.882 ( 0.242 9.209 0.037) 9.212 7.942 ( -0.581 5.598 0.044) 5.628 8.463 ( 0.444 -4.729 -1.618) 5.018 8.487 ( -0.533 -7.194 1.204) 7.313 8.539 ( 2.487 -7.003 0.585) 7.454 8.649 ( -0.775 0.253 -0.454) 0.933 8.747 ( 0.570 -1.795 0.270) 1.902 8.823 ( 1.646 4.909 -0.188) 5.181 8.974 ( 0.101 1.284 -0.088) 1.290 9.084 ( 0.140 -2.184 0.028) 2.189 9.373 ( 0.220 -8.463 0.064) 8.467 10.031 ( 4.163 5.128 1.867) 6.864 10.092 ( 3.212 2.758 -1.537) 4.504 10.172 ( 7.001 1.384 -0.097) 7.137 10.225 ( 1.829 0.079 -0.056) 1.832 10.241 ( 0.838 4.225 0.276) 4.317 10.306 ( -4.533 4.810 -0.219) 6.613 10.459 ( -3.926 -0.635 -1.519) 4.257 10.507 ( -0.863 0.103 0.467) 0.987 10.667 ( -2.233 1.510 -0.082) 2.697 10.747 ( -1.337 5.070 0.770) 5.300 11.076 ( 3.319 -5.500 0.335) 6.433 11.126 ( 1.336 -7.825 0.410) 7.948 11.216 ( 0.110 -2.217 -2.143) 3.086 11.288 ( -1.195 -5.381 -1.089) 5.619 11.505 ( 4.183 -0.773 2.448) 4.908 11.532 ( 1.993 -1.896 0.365) 2.775 11.792 ( -3.076 1.959 -1.335) 3.883 11.841 ( -1.400 1.679 1.023) 2.414 11.975 ( -1.434 -2.868 0.122) 3.209 12.008 ( -1.935 -2.697 0.143) 3.323 12.973 ( -2.653 1.613 0.160) 3.109 12.999 ( -3.322 1.009 -1.150) 3.657 13.316 ( -1.833 1.093 -0.722) 2.253 13.321 ( -1.043 0.944 1.494) 2.052 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 6.738 0.000) 6.738 0.981 ( 0.000 1.180 -0.000) 1.180 1.052 ( 0.000 2.454 0.000) 2.454 1.115 ( -0.000 3.532 0.000) 3.532 1.172 ( 0.000 -0.830 0.000) 0.830 1.174 ( 0.000 1.610 0.000) 1.610 1.262 ( -0.000 0.103 0.000) 0.103 1.290 ( 0.000 1.500 -0.000) 1.500 1.393 ( -0.000 2.768 0.000) 2.768 1.397 ( 0.000 3.462 -0.000) 3.462 1.551 ( -0.000 3.329 0.000) 3.329 1.552 ( 0.000 -3.108 -0.000) 3.108 1.646 ( -0.000 -0.656 0.000) 0.656 1.704 ( -0.000 0.591 0.000) 0.591 1.900 ( 0.000 -5.174 -0.000) 5.174 2.030 ( 0.000 8.835 -0.000) 8.835 2.131 ( 0.000 16.924 -0.000) 16.924 2.149 ( -0.000 -6.023 0.000) 6.023 2.241 ( -0.000 2.165 0.000) 2.165 2.325 ( -0.000 -5.798 -0.000) 5.798 2.351 ( 0.000 0.073 0.000) 0.073 2.411 ( 0.000 -0.442 0.000) 0.442 2.585 ( 0.000 -6.409 0.000) 6.409 2.643 ( 0.000 -2.019 -0.000) 2.019 2.677 ( -0.000 -1.390 0.000) 1.390 2.764 ( -0.000 -4.554 -0.000) 4.554 2.811 ( 0.000 -2.631 0.000) 2.631 3.001 ( 0.000 9.649 0.000) 9.649 3.151 ( 0.000 -10.607 0.000) 10.607 3.194 ( -0.000 5.311 0.000) 5.311 3.197 ( 0.000 5.084 -0.000) 5.084 3.378 ( 0.000 11.422 -0.000) 11.422 3.552 ( 0.000 6.847 -0.000) 6.847 3.739 ( 0.000 -1.780 0.000) 1.780 3.823 ( -0.000 4.403 -0.000) 4.403 3.936 ( -0.000 3.066 0.000) 3.066 4.104 ( 0.000 -8.783 0.000) 8.783 4.270 ( -0.000 -9.240 -0.000) 9.240 4.335 ( 0.000 -6.310 0.000) 6.310 4.684 ( -0.000 0.527 -0.000) 0.527 4.803 ( 0.000 -20.704 0.000) 20.704 4.914 ( 0.000 -14.014 0.000) 14.014 7.851 ( 0.000 8.849 0.000) 8.849 7.885 ( 0.000 9.185 0.000) 9.185 7.937 ( -0.000 5.596 -0.000) 5.596 8.460 ( 0.000 -4.468 -0.000) 4.468 8.487 ( -0.000 -6.895 0.000) 6.895 8.570 ( -0.000 -7.744 -0.000) 7.744 8.634 ( 0.000 1.061 0.000) 1.061 8.754 ( 0.000 -1.755 0.000) 1.755 8.839 ( 0.000 4.344 -0.000) 4.344 8.974 ( -0.000 1.265 0.000) 1.265 9.085 ( -0.000 -2.288 0.000) 2.288 9.375 ( 0.000 -8.279 0.000) 8.279 10.108 ( 0.000 3.159 0.000) 3.159 10.109 ( -0.000 2.626 -0.000) 2.626 10.219 ( 0.000 1.452 -0.000) 1.452 10.221 ( -0.000 6.984 0.000) 6.984 10.267 ( 0.000 2.513 0.000) 2.513 10.294 ( 0.000 1.989 -0.000) 1.989 10.385 ( 0.000 -0.131 0.000) 0.131 10.499 ( 0.000 0.716 0.000) 0.716 10.644 ( -0.000 1.193 0.000) 1.193 10.748 ( -0.000 5.695 -0.000) 5.695 11.102 ( 0.000 -9.407 -0.000) 9.407 11.134 ( -0.000 -2.336 0.000) 2.336 11.222 ( -0.000 -5.984 -0.000) 5.984 11.266 ( 0.000 -7.557 0.000) 7.557 11.548 ( 0.000 0.518 0.000) 0.518 11.571 ( -0.000 -1.191 -0.000) 1.191 11.742 ( 0.000 3.112 0.000) 3.112 11.843 ( 0.000 1.404 0.000) 1.404 11.946 ( -0.000 -2.837 0.000) 2.837 11.999 ( 0.000 -2.525 0.000) 2.525 12.948 ( 0.000 0.896 0.000) 0.896 12.959 ( -0.000 0.632 -0.000) 0.632 13.296 ( 0.000 1.779 0.000) 1.779 13.320 ( 0.000 1.009 0.000) 1.009 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 15.263 0.000) 15.263 0.955 ( 0.000 3.440 0.000) 3.440 0.986 ( 0.000 -1.779 0.000) 1.779 1.070 ( 0.000 -7.849 0.000) 7.849 1.099 ( 0.000 6.148 0.000) 6.148 1.202 ( 0.000 -4.286 0.000) 4.286 1.290 ( 0.000 4.031 0.000) 4.031 1.317 ( 0.000 3.263 0.000) 3.263 1.337 ( 0.000 0.620 0.000) 0.620 1.355 ( 0.000 -0.446 0.000) 0.446 1.529 ( 0.000 5.793 0.000) 5.793 1.620 ( 0.000 -1.587 0.000) 1.587 1.696 ( 0.000 7.947 0.000) 7.947 1.785 ( 0.000 3.913 0.000) 3.913 1.795 ( 0.000 -4.606 0.000) 4.606 1.922 ( 0.000 5.660 0.000) 5.660 1.930 ( 0.000 -3.739 0.000) 3.739 2.054 ( 0.000 -4.364 0.000) 4.364 2.075 ( 0.000 -2.142 0.000) 2.142 2.134 ( 0.000 -9.254 0.000) 9.254 2.190 ( 0.000 3.231 0.000) 3.231 2.264 ( 0.000 -4.034 0.000) 4.034 2.484 ( 0.000 8.099 0.000) 8.099 2.574 ( 0.000 13.175 0.000) 13.175 2.731 ( 0.000 -11.823 0.000) 11.823 2.793 ( 0.000 -1.348 0.000) 1.348 2.939 ( 0.000 -4.883 0.000) 4.883 2.945 ( 0.000 -10.844 0.000) 10.844 3.283 ( 0.000 8.026 0.000) 8.026 3.370 ( 0.000 2.281 0.000) 2.281 3.458 ( 0.000 -1.693 0.000) 1.693 3.471 ( 0.000 -7.101 0.000) 7.101 3.699 ( 0.000 14.826 0.000) 14.826 3.779 ( 0.000 13.568 0.000) 13.568 3.813 ( 0.000 12.410 0.000) 12.410 3.851 ( 0.000 -5.208 0.000) 5.208 4.146 ( 0.000 -15.033 0.000) 15.033 4.182 ( 0.000 -19.675 0.000) 19.675 4.381 ( 0.000 4.338 0.000) 4.338 4.520 ( 0.000 -10.949 0.000) 10.949 4.656 ( 0.000 7.975 0.000) 7.975 4.819 ( 0.000 -8.390 0.000) 8.390 7.995 ( 0.000 11.234 0.000) 11.234 8.081 ( 0.000 11.335 0.000) 11.335 8.111 ( 0.000 7.693 0.000) 7.693 8.225 ( 0.000 -10.489 0.000) 10.489 8.283 ( 0.000 -9.282 0.000) 9.282 8.313 ( 0.000 -10.591 0.000) 10.591 8.669 ( 0.000 0.430 0.000) 0.430 8.684 ( 0.000 -0.978 0.000) 0.978 8.934 ( 0.000 9.695 0.000) 9.695 9.004 ( 0.000 1.782 0.000) 1.782 9.046 ( 0.000 -1.857 0.000) 1.857 9.147 ( 0.000 -10.250 0.000) 10.250 9.984 ( 0.000 1.664 0.000) 1.664 9.985 ( 0.000 2.491 0.000) 2.491 10.038 ( 0.000 1.588 0.000) 1.588 10.054 ( 0.000 -0.147 0.000) 0.147 10.307 ( 0.000 3.289 0.000) 3.289 10.403 ( 0.000 -5.493 0.000) 5.493 10.489 ( 0.000 6.395 0.000) 6.395 10.612 ( 0.000 -5.296 0.000) 5.296 10.782 ( 0.000 7.674 0.000) 7.674 10.851 ( 0.000 7.089 0.000) 7.089 10.955 ( 0.000 -8.612 0.000) 8.612 11.034 ( 0.000 -10.471 0.000) 10.471 11.186 ( 0.000 3.170 0.000) 3.170 11.251 ( 0.000 -3.141 0.000) 3.141 11.272 ( 0.000 4.026 0.000) 4.026 11.352 ( 0.000 -3.643 0.000) 3.643 11.858 ( 0.000 2.350 0.000) 2.350 11.915 ( 0.000 -3.219 0.000) 3.219 12.010 ( 0.000 1.082 0.000) 1.082 12.054 ( 0.000 -3.144 0.000) 3.144 13.114 ( 0.000 2.927 0.000) 2.927 13.160 ( 0.000 -1.576 0.000) 1.576 13.440 ( 0.000 3.263 0.000) 3.263 13.489 ( 0.000 -1.551 0.000) 1.551 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 5.788 13.070 -2.832) 14.572 0.946 ( 0.464 2.706 -1.598) 3.177 0.991 ( -0.238 -0.022 1.392) 1.413 1.088 ( 1.265 -5.695 0.578) 5.863 1.099 ( 0.441 4.672 -0.188) 4.697 1.200 ( 0.009 -4.575 0.106) 4.576 1.281 ( -0.016 2.197 -1.034) 2.428 1.325 ( -0.359 -0.438 -0.396) 0.691 1.351 ( 1.770 1.760 -0.682) 2.587 1.377 ( 2.596 -0.132 -0.062) 2.600 1.510 ( -1.795 5.304 0.508) 5.622 1.601 ( -0.539 -2.361 -0.820) 2.557 1.659 ( -2.274 6.033 -0.268) 6.453 1.759 ( -2.349 -3.183 -0.872) 4.050 1.887 ( 4.077 2.553 3.807) 6.134 1.952 ( 6.193 -1.192 -5.676) 8.485 1.963 ( 2.732 3.951 -2.799) 5.560 2.035 ( 2.619 3.483 -0.688) 4.412 2.117 ( 3.675 -4.173 4.092) 6.904 2.199 ( 3.446 -8.645 1.210) 9.385 2.258 ( 4.998 3.292 3.673) 7.022 2.355 ( 5.904 -4.570 6.179) 9.692 2.533 ( 4.866 7.749 0.435) 9.161 2.607 ( 2.596 11.410 1.036) 11.748 2.722 ( -6.289 1.818 -2.845) 7.138 2.754 ( 0.775 -8.188 1.430) 8.348 2.894 ( -3.467 -7.312 -1.501) 8.231 2.933 ( -0.175 -10.595 -1.136) 10.657 3.236 ( -6.309 8.949 0.830) 10.981 3.350 ( -1.655 1.323 -2.462) 3.248 3.392 ( -2.093 -2.013 -1.231) 3.154 3.468 ( -1.140 -5.463 0.478) 5.601 3.622 ( -8.002 12.608 0.768) 14.952 3.757 ( -2.413 1.133 0.930) 2.824 3.825 ( 2.974 11.564 1.355) 12.017 3.896 ( 1.577 3.600 -0.437) 3.954 4.135 ( -1.220 -12.189 -0.529) 12.261 4.169 ( -1.108 -16.163 0.289) 16.204 4.378 ( -0.430 -0.596 -2.434) 2.543 4.437 ( -2.642 -6.078 -5.445) 8.577 4.718 ( 1.935 2.238 4.092) 5.050 4.818 ( -0.932 -6.548 0.985) 6.686 8.002 ( 0.401 10.673 0.469) 10.691 8.082 ( 0.322 10.644 -0.554) 10.663 8.097 ( -1.074 6.504 0.130) 6.593 8.256 ( 2.735 -8.673 0.565) 9.112 8.293 ( 0.622 -8.679 0.910) 8.749 8.312 ( 0.714 -10.289 -1.541) 10.428 8.670 ( 0.134 0.574 -0.070) 0.594 8.689 ( 0.344 -1.164 0.121) 1.220 8.940 ( 0.699 9.573 -0.061) 9.599 9.004 ( -0.010 1.793 0.023) 1.794 9.044 ( -0.226 -1.840 0.092) 1.856 9.153 ( 0.648 -10.246 -0.036) 10.267 10.001 ( 1.787 2.831 0.613) 3.403 10.012 ( 3.083 1.358 -0.591) 3.420 10.051 ( 1.958 2.197 -0.733) 3.033 10.081 ( 2.564 -0.657 0.410) 2.679 10.324 ( 1.081 2.594 1.140) 3.033 10.385 ( -1.130 -2.016 -0.915) 2.486 10.501 ( 0.637 3.315 0.584) 3.426 10.585 ( -2.859 -3.353 0.302) 4.417 10.789 ( 0.516 6.399 -0.607) 6.448 10.865 ( 1.627 3.953 0.177) 4.278 10.955 ( -0.517 -7.430 0.161) 7.450 10.973 ( -4.097 -5.209 -1.816) 6.871 11.224 ( 1.885 -0.471 0.218) 1.955 11.236 ( -0.097 -0.942 0.340) 1.007 11.316 ( 2.938 1.206 0.929) 3.309 11.365 ( 2.059 -2.998 -0.543) 3.677 11.861 ( -0.184 2.039 0.785) 2.193 11.913 ( -0.453 -2.839 0.246) 2.885 11.991 ( -1.718 1.224 -0.404) 2.148 12.037 ( -1.553 -3.066 -0.629) 3.494 13.105 ( -1.795 2.701 1.499) 3.573 13.146 ( -2.252 -1.235 1.177) 2.825 13.410 ( -2.512 2.715 -0.848) 3.795 13.452 ( -3.033 -1.370 -1.444) 3.628 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 4.231 5.646 -4.108) 8.164 0.958 ( 1.814 0.523 -1.429) 2.368 1.027 ( 2.834 4.754 2.362) 6.018 1.103 ( 0.215 -0.943 0.740) 1.217 1.122 ( 1.595 1.996 0.167) 2.560 1.213 ( 0.687 -3.140 0.790) 3.310 1.282 ( 0.527 -0.151 -0.397) 0.677 1.304 ( 0.703 -2.469 -2.135) 3.339 1.378 ( 0.667 1.875 -0.240) 2.005 1.414 ( 1.536 -2.123 -0.314) 2.639 1.500 ( -1.718 6.350 5.075) 8.309 1.598 ( -0.608 -2.556 2.006) 3.305 1.635 ( 0.691 4.240 -1.734) 4.632 1.718 ( -0.779 -3.121 -0.032) 3.217 1.903 ( -0.993 2.364 -2.904) 3.874 1.963 ( 3.035 -2.260 -5.339) 6.544 2.068 ( 5.238 5.931 -0.239) 7.916 2.113 ( 5.800 4.948 0.668) 7.653 2.252 ( 5.327 -4.371 0.411) 6.903 2.273 ( 4.110 -7.833 0.522) 8.861 2.397 ( 2.533 5.028 4.015) 6.915 2.513 ( -2.594 -0.523 2.297) 3.504 2.520 ( 1.466 1.399 1.120) 2.315 2.635 ( 2.899 3.033 0.037) 4.196 2.684 ( -2.890 -2.542 -1.126) 4.010 2.732 ( 1.825 1.775 0.229) 2.556 2.846 ( -0.638 -4.233 -1.819) 4.652 2.935 ( 1.012 -8.216 0.312) 8.284 3.103 ( -6.393 13.023 0.462) 14.514 3.237 ( -4.230 3.440 -4.481) 7.057 3.432 ( 3.551 -1.024 1.070) 3.848 3.461 ( -4.792 10.979 3.542) 12.491 3.524 ( 2.722 -4.344 1.913) 5.472 3.772 ( 2.086 -10.297 3.089) 10.951 3.867 ( -0.163 10.367 0.418) 10.377 3.891 ( -0.510 7.438 -0.667) 7.485 4.105 ( -0.470 -9.097 -2.554) 9.460 4.143 ( -1.748 -13.705 -0.744) 13.836 4.268 ( -6.135 1.834 -4.446) 7.795 4.397 ( -1.515 -11.952 0.030) 12.047 4.759 ( -0.537 -0.777 1.749) 1.988 4.792 ( -2.492 -3.441 0.253) 4.256 8.016 ( 0.573 9.341 0.611) 9.378 8.073 ( -1.078 5.541 0.517) 5.668 8.091 ( 0.581 10.391 -0.891) 10.445 8.308 ( 0.480 -9.734 -0.795) 9.778 8.317 ( 2.475 -7.682 0.750) 8.106 8.322 ( 2.084 -7.097 -0.106) 7.397 8.672 ( 0.074 0.881 -0.196) 0.906 8.697 ( 0.438 -1.540 0.079) 1.603 8.957 ( 1.054 9.252 0.087) 9.313 9.004 ( 0.081 1.861 -0.133) 1.868 9.041 ( -0.205 -1.868 0.148) 1.885 9.167 ( 0.869 -10.178 -0.048) 10.215 10.056 ( 3.318 3.559 0.917) 4.952 10.082 ( 4.487 0.661 -0.135) 4.538 10.095 ( 4.070 2.607 -1.180) 4.976 10.144 ( 3.833 -1.600 0.098) 4.154 10.340 ( -0.774 3.134 0.041) 3.229 10.375 ( 1.029 -0.058 0.399) 1.105 10.510 ( -0.176 0.422 0.287) 0.540 10.526 ( -3.605 -0.765 0.055) 3.686 10.780 ( -1.342 5.655 -0.581) 5.841 10.870 ( -1.951 2.621 -0.317) 3.283 10.931 ( -0.450 -3.705 0.354) 3.749 10.935 ( 0.968 -7.413 -0.178) 7.478 11.226 ( -0.391 -0.410 -1.557) 1.657 11.241 ( -0.127 -2.012 -1.613) 2.582 11.393 ( 4.154 0.346 2.130) 4.681 11.421 ( 3.678 -2.231 0.863) 4.388 11.861 ( -0.752 1.857 0.692) 2.120 11.901 ( -1.065 -1.202 -0.133) 1.611 11.951 ( -2.309 0.444 0.265) 2.367 11.993 ( -2.453 -2.914 -0.601) 3.856 13.070 ( -3.529 1.983 0.932) 4.154 13.094 ( -4.214 -0.316 0.115) 4.227 13.357 ( -2.371 1.299 0.185) 2.710 13.377 ( -3.230 -0.621 -1.061) 3.456 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 2.420 1.872 -1.438) 3.381 0.976 ( 1.201 -0.489 -0.574) 1.418 1.090 ( 1.299 2.443 0.942) 2.923 1.117 ( 1.269 -0.633 0.128) 1.424 1.169 ( 3.084 4.024 0.428) 5.088 1.220 ( -0.115 0.130 -0.327) 0.370 1.283 ( 0.326 0.864 -0.218) 0.949 1.326 ( 1.732 -2.086 -1.029) 2.900 1.383 ( 0.076 1.666 1.729) 2.403 1.439 ( 0.834 -3.701 1.565) 4.103 1.513 ( -2.529 6.020 5.099) 8.285 1.606 ( -0.704 -2.258 2.014) 3.107 1.655 ( 3.601 4.396 -2.390) 6.164 1.741 ( 2.024 -3.588 2.331) 4.733 1.841 ( -2.087 5.389 -5.103) 7.709 1.966 ( 3.308 -5.519 -5.235) 8.295 2.128 ( -2.208 2.718 0.003) 3.502 2.162 ( -1.706 -1.142 -1.429) 2.501 2.254 ( 1.972 1.743 -3.464) 4.351 2.318 ( 3.362 -1.691 0.271) 3.773 2.410 ( 0.919 -1.359 1.001) 1.922 2.521 ( -0.658 -6.799 0.474) 6.847 2.552 ( -2.158 2.731 1.004) 3.622 2.618 ( 0.074 -1.748 -0.187) 1.760 2.663 ( -4.806 2.648 1.485) 5.685 2.706 ( -3.293 -1.586 1.986) 4.160 2.809 ( -3.040 2.292 -1.014) 3.940 2.947 ( -0.548 -8.498 0.174) 8.517 3.131 ( 8.369 9.943 -0.746) 13.018 3.193 ( 3.883 4.767 -4.059) 7.367 3.432 ( 0.737 20.429 4.513) 20.935 3.541 ( 5.533 3.100 3.003) 7.017 3.695 ( 9.282 -6.673 5.084) 12.511 3.801 ( -3.366 6.073 -0.069) 6.944 3.839 ( -2.302 0.047 -0.234) 2.315 3.925 ( 4.451 1.459 1.421) 4.895 4.042 ( -2.597 -9.496 -7.407) 12.319 4.080 ( -2.553 -6.706 -4.029) 8.229 4.139 ( -6.233 -2.340 3.454) 7.501 4.358 ( -3.042 -19.656 1.529) 19.948 4.726 ( -2.605 -0.338 -0.929) 2.786 4.750 ( -2.108 -3.326 0.026) 3.938 8.030 ( 0.505 8.071 0.335) 8.094 8.061 ( -0.803 5.015 0.624) 5.117 8.093 ( 0.427 10.733 -0.724) 10.766 8.308 ( 0.517 -9.646 -1.042) 9.716 8.344 ( 0.781 -5.360 0.489) 5.439 8.374 ( 2.154 -7.658 0.497) 7.970 8.668 ( -0.183 1.438 -0.252) 1.471 8.705 ( 0.363 -2.051 -0.002) 2.083 8.976 ( 0.787 8.908 0.343) 8.949 9.004 ( 0.126 1.921 -0.358) 1.958 9.040 ( -0.058 -1.989 0.106) 1.993 9.180 ( 0.590 -9.983 -0.031) 10.000 10.123 ( 2.670 3.227 0.887) 4.282 10.140 ( 2.531 1.414 -0.650) 2.972 10.189 ( 5.878 0.415 -0.323) 5.901 10.209 ( 3.160 -1.359 0.071) 3.440 10.332 ( 0.244 4.122 -0.181) 4.133 10.385 ( -0.990 0.240 0.653) 1.210 10.462 ( -2.936 2.187 -0.984) 3.791 10.502 ( -0.660 -0.904 0.231) 1.142 10.730 ( -2.470 5.486 -0.747) 6.063 10.867 ( 0.390 6.272 1.831) 6.546 10.899 ( -0.889 -9.794 -0.822) 9.869 10.998 ( 2.988 -5.902 2.510) 7.075 11.178 ( -2.036 -0.945 -3.185) 3.896 11.195 ( -2.629 -2.888 -2.948) 4.893 11.493 ( 4.225 -0.151 2.187) 4.759 11.502 ( 3.623 -0.997 1.594) 4.082 11.841 ( -1.686 2.639 -0.640) 3.196 11.875 ( -1.100 0.870 0.252) 1.425 11.921 ( -1.784 -1.565 0.107) 2.375 11.949 ( -1.687 -2.785 0.336) 3.273 13.001 ( -3.476 1.014 -0.579) 3.667 13.011 ( -3.739 0.094 -1.034) 3.880 13.334 ( -1.182 0.535 0.295) 1.331 13.335 ( -0.954 0.361 1.044) 1.460 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 1.115 0.000) 1.115 0.985 ( 0.000 -0.422 0.000) 0.422 1.101 ( 0.000 1.866 0.000) 1.866 1.134 ( 0.000 -1.584 0.000) 1.584 1.205 ( 0.000 2.607 0.000) 2.607 1.215 ( 0.000 0.930 -0.000) 0.930 1.289 ( -0.000 3.033 0.000) 3.033 1.327 ( 0.000 0.850 -0.000) 0.850 1.406 ( -0.000 0.353 0.000) 0.353 1.453 ( 0.000 -2.204 0.000) 2.204 1.514 ( 0.000 4.042 -0.000) 4.042 1.608 ( -0.000 -3.021 0.000) 3.021 1.722 ( -0.000 1.884 0.000) 1.884 1.728 ( 0.000 11.388 0.000) 11.388 1.803 ( 0.000 -3.824 -0.000) 3.824 2.012 ( 0.000 -12.481 0.000) 12.481 2.055 ( -0.000 -1.860 -0.000) 1.860 2.076 ( 0.000 -3.676 0.000) 3.676 2.343 ( -0.000 3.486 -0.000) 3.486 2.352 ( 0.000 0.385 -0.000) 0.385 2.437 ( 0.000 3.345 0.000) 3.345 2.477 ( -0.000 2.600 0.000) 2.600 2.511 ( 0.000 1.700 0.000) 1.700 2.578 ( -0.000 -5.200 -0.000) 5.200 2.639 ( 0.000 1.948 0.000) 1.948 2.694 ( 0.000 -1.513 -0.000) 1.513 2.776 ( -0.000 1.868 0.000) 1.868 2.933 ( 0.000 -10.606 -0.000) 10.606 3.197 ( 0.000 5.554 0.000) 5.554 3.258 ( 0.000 0.006 -0.000) 0.006 3.496 ( 0.000 23.576 0.000) 23.576 3.685 ( -0.000 15.211 -0.000) 15.211 3.711 ( 0.000 5.763 0.000) 5.763 3.751 ( 0.000 4.633 0.000) 4.633 3.868 ( -0.000 -2.696 -0.000) 2.696 3.959 ( 0.000 -0.459 0.000) 0.459 3.971 ( -0.000 -1.158 -0.000) 1.158 4.042 ( 0.000 -21.425 -0.000) 21.425 4.082 ( -0.000 -5.347 0.000) 5.347 4.335 ( 0.000 -22.978 -0.000) 22.978 4.693 ( 0.000 0.486 0.000) 0.486 4.726 ( 0.000 -3.915 0.000) 3.915 8.037 ( 0.000 7.614 0.000) 7.614 8.056 ( -0.000 4.964 0.000) 4.964 8.094 ( 0.000 10.778 0.000) 10.778 8.308 ( -0.000 -9.595 0.000) 9.595 8.353 ( 0.000 -4.611 0.000) 4.611 8.397 ( -0.000 -7.944 0.000) 7.944 8.664 ( 0.000 1.851 0.000) 1.851 8.708 ( 0.000 -2.346 0.000) 2.346 8.986 ( 0.000 9.087 -0.000) 9.087 9.003 ( 0.000 1.578 0.000) 1.578 9.040 ( -0.000 -2.048 0.000) 2.048 9.186 ( 0.000 -9.856 0.000) 9.856 10.154 ( 0.000 1.455 0.000) 1.455 10.158 ( 0.000 1.248 -0.000) 1.248 10.247 ( -0.000 1.077 0.000) 1.077 10.259 ( 0.000 -0.048 0.000) 0.048 10.332 ( 0.000 2.070 0.000) 2.070 10.370 ( -0.000 -1.403 -0.000) 1.403 10.418 ( 0.000 7.210 0.000) 7.210 10.500 ( 0.000 -1.190 0.000) 1.190 10.701 ( -0.000 5.439 0.000) 5.439 10.882 ( 0.000 -11.040 -0.000) 11.040 10.893 ( 0.000 8.185 0.000) 8.185 11.072 ( 0.000 -8.847 0.000) 8.847 11.109 ( -0.000 0.146 -0.000) 0.146 11.145 ( 0.000 -3.459 0.000) 3.459 11.549 ( 0.000 -0.175 -0.000) 0.175 11.551 ( -0.000 -0.552 0.000) 0.552 11.812 ( 0.000 3.535 0.000) 3.535 11.882 ( 0.000 -3.314 0.000) 3.314 11.883 ( -0.000 2.469 -0.000) 2.469 11.941 ( 0.000 -3.022 0.000) 3.022 12.963 ( 0.000 0.552 0.000) 0.552 12.968 ( -0.000 0.131 -0.000) 0.131 13.326 ( 0.000 0.975 0.000) 0.975 13.334 ( -0.000 0.223 0.000) 0.223 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( 1.886 0.000 9.542) 9.727 0.200 ( 11.485 0.000 10.544) 15.591 0.532 ( -0.581 0.000 24.843) 24.850 0.815 ( -6.446 0.000 1.259) 6.568 0.974 ( -2.210 0.000 -8.017) 8.316 1.113 ( 0.933 0.000 -0.567) 1.092 1.143 ( 3.976 0.000 0.529) 4.011 1.172 ( 1.642 0.000 0.905) 1.875 1.176 ( -2.730 0.000 0.935) 2.886 1.298 ( 0.497 0.000 2.507) 2.556 1.388 ( -0.082 0.000 2.729) 2.731 1.487 ( 0.378 0.000 -1.586) 1.630 1.529 ( -0.415 0.000 -0.002) 0.415 1.668 ( -1.291 0.000 -0.491) 1.381 1.680 ( 4.029 0.000 -4.294) 5.888 1.807 ( -2.798 0.000 0.201) 2.805 1.984 ( 2.836 0.000 -3.795) 4.738 1.988 ( 3.915 0.000 -1.458) 4.178 2.165 ( -3.959 0.000 -0.134) 3.961 2.255 ( -8.933 0.000 -6.342) 10.955 2.462 ( -1.275 0.000 -5.871) 6.008 2.596 ( -3.039 0.000 -5.462) 6.251 2.693 ( 1.566 0.000 -0.566) 1.665 2.714 ( 1.686 0.000 1.056) 1.990 2.865 ( 3.725 0.000 4.873) 6.134 2.877 ( 3.748 0.000 -2.243) 4.368 2.946 ( -2.876 0.000 5.494) 6.201 3.096 ( -1.086 0.000 4.982) 5.099 3.139 ( 4.672 0.000 4.723) 6.644 3.294 ( -1.905 0.000 1.950) 2.726 3.402 ( 2.912 0.000 1.199) 3.149 3.443 ( -5.231 0.000 -3.906) 6.529 3.642 ( 7.496 0.000 2.434) 7.881 3.687 ( -5.356 0.000 -3.935) 6.646 3.934 ( 0.237 0.000 3.896) 3.904 4.107 ( 0.762 0.000 -2.447) 2.563 4.117 ( -2.296 0.000 -0.694) 2.398 4.241 ( -1.420 0.000 -3.932) 4.180 4.434 ( -2.833 0.000 5.021) 5.765 4.659 ( 1.862 0.000 -1.761) 2.563 5.261 ( 0.238 0.000 0.698) 0.738 5.331 ( -0.327 0.000 -1.051) 1.101 7.603 ( -0.687 0.000 0.768) 1.030 7.632 ( 0.534 0.000 -0.136) 0.551 7.892 ( -1.834 0.000 3.169) 3.661 8.363 ( 6.426 0.000 -12.920) 14.430 8.602 ( 0.216 0.000 0.637) 0.673 8.639 ( 0.045 0.000 -0.087) 0.098 8.681 ( -0.970 0.000 0.033) 0.970 8.734 ( 1.676 0.000 -1.323) 2.135 8.893 ( -6.933 0.000 13.010) 14.742 8.954 ( -0.264 0.000 2.146) 2.163 9.108 ( 0.278 0.000 -0.270) 0.387 9.524 ( 2.719 0.000 -5.779) 6.386 9.774 ( 0.047 0.000 2.025) 2.026 9.881 ( 0.227 0.000 0.308) 0.383 9.926 ( 0.595 0.000 -1.773) 1.870 9.929 ( -1.206 0.000 -0.700) 1.394 10.230 ( 0.353 0.000 0.636) 0.727 10.269 ( -0.254 0.000 -0.443) 0.510 10.595 ( 2.487 0.000 -0.034) 2.487 10.606 ( -3.465 0.000 -0.524) 3.504 10.702 ( 3.598 0.000 1.220) 3.800 10.756 ( -2.538 0.000 -0.419) 2.573 11.067 ( -1.425 0.000 0.042) 1.426 11.086 ( 2.368 0.000 -0.467) 2.414 11.299 ( -0.676 0.000 2.590) 2.676 11.412 ( 0.071 0.000 0.612) 0.616 11.470 ( -3.523 0.000 -2.302) 4.208 11.482 ( 0.729 0.000 -0.832) 1.106 11.806 ( 1.921 0.000 1.636) 2.523 11.955 ( -1.433 0.000 -3.108) 3.423 12.130 ( 0.619 0.000 2.965) 3.029 12.245 ( 0.256 0.000 -0.704) 0.749 12.961 ( 0.403 0.000 1.427) 1.483 13.122 ( -1.365 0.000 -3.626) 3.875 13.284 ( 1.967 0.000 4.100) 4.547 13.483 ( -0.789 0.000 -1.955) 2.108 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 2.157 0.000 13.514) 13.685 0.462 ( 16.705 0.000 4.571) 17.319 0.768 ( 2.357 0.000 -2.128) 3.176 0.869 ( 0.583 0.000 -10.802) 10.817 0.902 ( 14.517 0.000 9.945) 17.597 1.128 ( -0.534 0.000 -0.134) 0.551 1.146 ( 1.221 0.000 -1.752) 2.135 1.192 ( 2.312 0.000 4.064) 4.676 1.233 ( 1.633 0.000 1.776) 2.413 1.407 ( 8.709 0.000 2.877) 9.171 1.409 ( -0.028 0.000 1.143) 1.143 1.467 ( -1.041 0.000 -2.094) 2.339 1.527 ( 0.264 0.000 -0.076) 0.275 1.635 ( -1.735 0.000 0.454) 1.793 1.697 ( -0.402 0.000 -1.336) 1.395 1.808 ( 6.399 0.000 -4.206) 7.657 1.959 ( -3.301 0.000 -0.385) 3.324 1.978 ( -1.704 0.000 -6.130) 6.362 2.060 ( -4.153 0.000 1.344) 4.365 2.154 ( 1.276 0.000 4.455) 4.634 2.403 ( -0.655 0.000 -4.098) 4.150 2.503 ( -1.983 0.000 -4.013) 4.476 2.690 ( -0.824 0.000 -0.488) 0.958 2.734 ( -1.355 0.000 1.726) 2.195 2.832 ( -4.884 0.000 -3.355) 5.925 2.879 ( -2.511 0.000 -1.839) 3.112 2.967 ( -2.469 0.000 8.952) 9.286 3.099 ( -2.030 0.000 1.574) 2.569 3.234 ( -2.785 0.000 0.351) 2.807 3.298 ( -1.691 0.000 1.182) 2.063 3.399 ( 4.692 0.000 2.260) 5.208 3.422 ( -0.765 0.000 2.833) 2.934 3.554 ( -1.575 0.000 -5.988) 6.191 3.770 ( 2.675 0.000 2.495) 3.658 3.935 ( -4.671 0.000 3.392) 5.772 4.105 ( 0.574 0.000 -4.489) 4.526 4.159 ( 6.080 0.000 2.014) 6.405 4.208 ( 3.512 0.000 -4.629) 5.810 4.397 ( -5.656 0.000 5.513) 7.898 4.663 ( 0.180 0.000 -1.580) 1.590 5.273 ( 0.287 0.000 1.076) 1.114 5.305 ( -1.132 0.000 -1.368) 1.775 7.607 ( 0.469 0.000 0.433) 0.638 7.649 ( 1.126 0.000 0.206) 1.144 7.881 ( -2.419 0.000 3.150) 3.972 8.352 ( 5.062 0.000 -12.520) 13.505 8.626 ( 1.690 0.000 0.941) 1.935 8.652 ( -0.023 0.000 0.143) 0.145 8.659 ( 0.553 0.000 -1.247) 1.364 8.753 ( 1.530 0.000 -1.011) 1.833 8.887 ( -6.604 0.000 12.779) 14.384 8.958 ( -1.075 0.000 2.119) 2.376 9.115 ( 0.634 0.000 -0.161) 0.654 9.522 ( 2.651 0.000 -5.674) 6.263 9.803 ( 0.867 0.000 2.570) 2.712 9.890 ( 1.636 0.000 -1.067) 1.954 9.927 ( 2.429 0.000 -1.088) 2.662 9.966 ( 4.271 0.000 -0.428) 4.293 10.258 ( 1.225 0.000 0.509) 1.326 10.270 ( 0.719 0.000 -0.570) 0.918 10.538 ( -2.535 0.000 -0.980) 2.718 10.612 ( -1.963 0.000 2.245) 2.982 10.710 ( -0.811 0.000 -1.993) 2.152 10.786 ( 1.602 0.000 0.829) 1.803 10.999 ( -2.835 0.000 0.182) 2.841 11.110 ( 1.076 0.000 -0.763) 1.320 11.365 ( 3.805 0.000 3.082) 4.897 11.392 ( -2.206 0.000 -1.861) 2.886 11.426 ( 0.829 0.000 1.298) 1.540 11.516 ( 3.038 0.000 -0.567) 3.091 11.853 ( 0.858 0.000 1.656) 1.865 11.878 ( -3.369 0.000 -3.324) 4.733 12.143 ( -1.967 0.000 2.574) 3.239 12.209 ( -3.031 0.000 -1.179) 3.252 12.979 ( -0.508 0.000 1.867) 1.935 13.056 ( -2.388 0.000 -2.998) 3.832 13.340 ( -0.047 0.000 3.961) 3.961 13.420 ( -3.305 0.000 -3.282) 4.657 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.189 0.000 14.874) 14.876 0.764 ( 10.603 0.000 -6.633) 12.507 0.862 ( 9.553 0.000 -2.294) 9.824 0.864 ( 10.243 0.000 0.945) 10.287 1.058 ( 2.556 0.000 -0.928) 2.720 1.090 ( -1.265 0.000 -1.978) 2.348 1.182 ( 3.075 0.000 -1.919) 3.625 1.250 ( -0.141 0.000 2.553) 2.557 1.298 ( 1.890 0.000 2.531) 3.159 1.364 ( -2.030 0.000 -5.618) 5.974 1.455 ( -0.457 0.000 3.447) 3.477 1.510 ( 0.024 0.000 -1.853) 1.853 1.589 ( 1.910 0.000 -2.262) 2.961 1.675 ( -1.318 0.000 1.172) 1.764 1.712 ( 5.157 0.000 9.463) 10.777 1.833 ( -5.381 0.000 1.475) 5.580 1.979 ( 10.017 0.000 2.392) 10.299 2.000 ( 13.097 0.000 -8.282) 15.496 2.093 ( 6.805 0.000 0.633) 6.835 2.238 ( 3.313 0.000 3.831) 5.065 2.365 ( -1.176 0.000 -0.508) 1.281 2.450 ( -1.418 0.000 -2.166) 2.588 2.626 ( -10.121 0.000 0.098) 10.121 2.661 ( -2.354 0.000 -0.658) 2.444 2.770 ( -6.635 0.000 -0.423) 6.649 2.771 ( 0.861 0.000 -3.050) 3.170 2.988 ( -3.116 0.000 7.257) 7.897 3.050 ( -3.840 0.000 -0.854) 3.934 3.155 ( -3.208 0.000 -0.886) 3.328 3.182 ( -5.719 0.000 -6.496) 8.655 3.462 ( 3.423 0.000 0.508) 3.461 3.519 ( 3.254 0.000 3.043) 4.456 3.562 ( 2.791 0.000 -0.382) 2.817 3.766 ( -3.475 0.000 0.049) 3.475 3.853 ( -8.161 0.000 4.745) 9.440 3.982 ( -8.556 0.000 -6.428) 10.702 4.287 ( 5.111 0.000 0.864) 5.184 4.292 ( 7.510 0.000 -1.650) 7.689 4.375 ( -1.573 0.000 4.773) 5.026 4.647 ( -0.036 0.000 -1.262) 1.263 5.274 ( -0.866 0.000 -1.023) 1.340 5.290 ( 0.443 0.000 0.962) 1.059 7.625 ( 1.044 0.000 0.181) 1.060 7.670 ( 0.763 0.000 0.315) 0.825 7.864 ( -2.586 0.000 3.354) 4.235 8.328 ( 4.608 0.000 -11.972) 12.829 8.629 ( -1.129 0.000 0.063) 1.131 8.676 ( 2.677 0.000 0.937) 2.836 8.692 ( 2.662 0.000 -1.040) 2.858 8.766 ( 1.136 0.000 -1.504) 1.885 8.886 ( -5.802 0.000 12.327) 13.624 8.960 ( -1.009 0.000 2.498) 2.694 9.127 ( 0.812 0.000 -0.258) 0.852 9.518 ( 2.475 0.000 -5.478) 6.012 9.857 ( 2.738 0.000 2.729) 3.866 9.923 ( 3.489 0.000 -2.571) 4.334 10.001 ( 5.969 0.000 -0.148) 5.971 10.058 ( 5.682 0.000 0.459) 5.701 10.245 ( -3.178 0.000 -0.732) 3.261 10.274 ( -0.343 0.000 0.234) 0.415 10.503 ( -0.867 0.000 -1.316) 1.576 10.582 ( -3.363 0.000 2.697) 4.311 10.676 ( -1.602 0.000 -1.268) 2.043 10.706 ( -6.879 0.000 -0.369) 6.889 11.082 ( 8.287 0.000 2.810) 8.750 11.136 ( 3.896 0.000 -3.060) 4.954 11.349 ( -1.587 0.000 -0.473) 1.656 11.409 ( -0.551 0.000 1.324) 1.434 11.497 ( 3.603 0.000 2.707) 4.507 11.563 ( 2.787 0.000 -2.053) 3.462 11.798 ( -2.642 0.000 -1.578) 3.077 11.854 ( -1.970 0.000 1.290) 2.355 12.111 ( -3.283 0.000 1.609) 3.656 12.126 ( -4.374 0.000 -1.636) 4.670 12.978 ( -1.784 0.000 2.488) 3.062 12.990 ( -2.299 0.000 -2.073) 3.096 13.321 ( -3.755 0.000 -3.498) 5.132 13.350 ( -2.095 0.000 2.939) 3.610 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -1.249 0.000 13.996) 14.051 0.838 ( 6.632 0.000 -2.035) 6.937 1.019 ( 0.005 0.000 -0.409) 0.409 1.027 ( 8.374 0.000 -0.622) 8.397 1.079 ( 1.293 0.000 0.037) 1.294 1.158 ( 9.986 0.000 1.846) 10.155 1.210 ( 2.471 0.000 -2.549) 3.550 1.266 ( -0.758 0.000 3.023) 3.116 1.291 ( -1.519 0.000 -2.784) 3.171 1.319 ( -0.682 0.000 0.389) 0.785 1.480 ( -0.630 0.000 -2.227) 2.315 1.497 ( 1.469 0.000 3.454) 3.754 1.577 ( -1.368 0.000 -0.922) 1.649 1.661 ( -1.515 0.000 0.916) 1.771 1.745 ( -5.442 0.000 1.330) 5.602 1.773 ( 0.534 0.000 1.616) 1.702 2.042 ( 2.752 0.000 -7.429) 7.922 2.251 ( 4.275 0.000 -0.513) 4.306 2.332 ( 3.281 0.000 1.390) 3.563 2.333 ( -1.423 0.000 1.310) 1.935 2.395 ( 13.520 0.000 -2.459) 13.742 2.443 ( 9.520 0.000 -0.705) 9.546 2.489 ( 1.892 0.000 2.574) 3.194 2.554 ( -6.884 0.000 0.377) 6.895 2.722 ( -0.162 0.000 0.864) 0.879 2.762 ( 1.742 0.000 -4.122) 4.476 2.952 ( -1.856 0.000 -5.063) 5.393 2.992 ( -2.400 0.000 5.263) 5.784 3.082 ( -1.671 0.000 -1.034) 1.965 3.124 ( -0.934 0.000 1.952) 2.164 3.455 ( -14.390 0.000 -2.027) 14.532 3.497 ( -3.341 0.000 -1.179) 3.543 3.580 ( 1.307 0.000 0.698) 1.482 3.698 ( -2.674 0.000 0.778) 2.785 3.759 ( -5.795 0.000 4.826) 7.541 3.804 ( -2.396 0.000 -3.119) 3.933 4.339 ( 0.909 0.000 -0.378) 0.984 4.383 ( 1.645 0.000 -0.754) 1.810 4.418 ( 3.241 0.000 2.846) 4.313 4.650 ( 1.343 0.000 -1.225) 1.818 5.261 ( 0.002 0.000 -0.263) 0.263 5.302 ( 0.168 0.000 0.336) 0.376 7.644 ( 0.837 0.000 0.087) 0.841 7.679 ( -0.000 0.000 0.135) 0.135 7.851 ( -2.314 0.000 3.632) 4.306 8.310 ( 5.234 0.000 -11.673) 12.793 8.617 ( -0.582 0.000 0.622) 0.852 8.724 ( 1.053 0.000 0.470) 1.154 8.725 ( 1.526 0.000 0.490) 1.603 8.769 ( 1.249 0.000 -2.268) 2.590 8.900 ( -4.441 0.000 11.200) 12.048 8.966 ( -1.015 0.000 2.902) 3.074 9.137 ( 0.631 0.000 -0.553) 0.839 9.514 ( 2.486 0.000 -5.429) 5.972 9.956 ( 5.132 0.000 3.244) 6.071 9.963 ( 3.866 0.000 -3.135) 4.977 10.106 ( 0.197 0.000 -0.997) 1.017 10.154 ( 0.030 0.000 -0.422) 0.423 10.168 ( 5.216 0.000 0.732) 5.268 10.254 ( -2.347 0.000 0.727) 2.457 10.444 ( -4.491 0.000 -0.548) 4.524 10.535 ( -4.376 0.000 1.923) 4.780 10.630 ( -1.727 0.000 0.512) 1.801 10.644 ( -0.265 0.000 -1.062) 1.095 11.181 ( 3.735 0.000 -2.830) 4.686 11.274 ( 7.167 0.000 3.253) 7.871 11.333 ( 1.769 0.000 0.129) 1.774 11.412 ( 0.662 0.000 0.229) 0.701 11.545 ( -2.568 0.000 -3.593) 4.416 11.569 ( 2.486 0.000 1.612) 2.962 11.741 ( -3.993 0.000 0.437) 4.017 11.833 ( -1.237 0.000 1.163) 1.698 12.038 ( -3.172 0.000 -1.391) 3.464 12.070 ( -1.925 0.000 0.523) 1.994 12.943 ( -1.034 0.000 -1.247) 1.620 12.956 ( -2.579 0.000 1.535) 3.001 13.247 ( -1.231 0.000 -1.769) 2.155 13.324 ( -2.760 0.000 1.422) 3.105 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -6.125 0.000 13.667) 14.977 0.948 ( 2.133 0.000 3.994) 4.528 1.032 ( 1.923 0.000 1.105) 2.218 1.083 ( 0.630 0.000 -0.411) 0.752 1.134 ( 0.553 0.000 2.763) 2.818 1.236 ( -4.181 0.000 -0.909) 4.279 1.245 ( -2.773 0.000 -0.829) 2.894 1.253 ( 6.073 0.000 -1.196) 6.190 1.292 ( 3.169 0.000 1.516) 3.513 1.316 ( 0.267 0.000 0.769) 0.814 1.482 ( 2.995 0.000 -0.708) 3.078 1.496 ( -4.625 0.000 -0.324) 4.636 1.543 ( -0.630 0.000 -1.771) 1.880 1.663 ( -0.922 0.000 1.876) 2.091 1.683 ( -0.610 0.000 1.249) 1.390 1.787 ( -0.894 0.000 0.187) 0.914 2.020 ( 2.467 0.000 -6.787) 7.222 2.133 ( -5.347 0.000 -9.243) 10.678 2.302 ( 1.659 0.000 -1.704) 2.378 2.374 ( 0.708 0.000 -1.267) 1.451 2.436 ( -0.758 0.000 5.451) 5.504 2.496 ( 1.009 0.000 3.386) 3.533 2.649 ( 4.590 0.000 0.274) 4.598 2.688 ( -5.838 0.000 -0.465) 5.856 2.695 ( 1.600 0.000 -0.507) 1.678 2.786 ( 3.718 0.000 -6.266) 7.286 2.973 ( 3.364 0.000 1.162) 3.559 3.006 ( -17.526 0.000 1.763) 17.615 3.027 ( 3.135 0.000 1.203) 3.358 3.061 ( 2.983 0.000 -1.648) 3.408 3.263 ( 7.063 0.000 -0.177) 7.065 3.400 ( -0.399 0.000 -1.031) 1.106 3.623 ( 0.646 0.000 1.418) 1.558 3.699 ( 0.695 0.000 2.742) 2.829 3.711 ( -3.939 0.000 2.219) 4.521 3.788 ( 1.311 0.000 -1.523) 2.010 4.346 ( 0.597 0.000 0.014) 0.597 4.375 ( -1.258 0.000 -1.113) 1.680 4.480 ( 0.353 0.000 2.537) 2.562 4.650 ( -0.110 0.000 -2.024) 2.027 5.267 ( 0.477 0.000 0.448) 0.654 5.299 ( -0.491 0.000 -0.373) 0.617 7.655 ( 0.164 0.000 0.266) 0.313 7.675 ( -0.330 0.000 -0.203) 0.388 7.847 ( -1.783 0.000 3.722) 4.127 8.308 ( 6.017 0.000 -11.574) 13.045 8.618 ( -0.163 0.000 1.167) 1.179 8.734 ( -0.107 0.000 -0.672) 0.680 8.735 ( -1.130 0.000 2.145) 2.425 8.767 ( 0.196 0.000 -2.208) 2.216 8.920 ( -4.312 0.000 10.371) 11.232 8.973 ( -1.189 0.000 3.078) 3.300 9.138 ( 0.222 0.000 -0.878) 0.906 9.511 ( 2.678 0.000 -5.511) 6.127 9.979 ( -6.589 0.000 -1.835) 6.839 10.013 ( 4.197 0.000 -1.738) 4.543 10.091 ( 5.949 0.000 3.231) 6.770 10.183 ( -4.028 0.000 -0.180) 4.032 10.228 ( -0.216 0.000 0.347) 0.409 10.247 ( 0.385 0.000 -0.025) 0.386 10.397 ( 1.654 0.000 2.081) 2.659 10.478 ( -1.751 0.000 -0.029) 1.751 10.616 ( -0.597 0.000 -0.014) 0.597 10.644 ( 0.757 0.000 -0.506) 0.911 11.233 ( 3.545 0.000 0.400) 3.567 11.285 ( -2.593 0.000 -0.503) 2.642 11.401 ( -4.712 0.000 -1.385) 4.911 11.423 ( -0.075 0.000 -0.826) 0.829 11.526 ( 7.792 0.000 2.253) 8.111 11.593 ( -3.647 0.000 -0.335) 3.663 11.688 ( 1.057 0.000 1.310) 1.683 11.803 ( -2.107 0.000 -1.774) 2.754 12.017 ( 1.467 0.000 0.462) 1.538 12.049 ( -0.763 0.000 -0.416) 0.869 12.922 ( -1.495 0.000 -0.096) 1.498 12.936 ( 1.220 0.000 -0.414) 1.288 13.251 ( 2.038 0.000 0.667) 2.144 13.287 ( -1.729 0.000 -0.243) 1.746 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -14.679 0.000 11.652) 18.742 0.972 ( -6.342 0.000 -0.531) 6.364 1.008 ( -2.710 0.000 1.449) 3.073 1.065 ( -2.114 0.000 -0.051) 2.115 1.138 ( -2.116 0.000 2.970) 3.647 1.168 ( -3.698 0.000 1.415) 3.959 1.179 ( -0.356 0.000 -1.056) 1.114 1.310 ( -1.133 0.000 -0.345) 1.184 1.334 ( -0.137 0.000 2.769) 2.773 1.360 ( 1.114 0.000 -1.193) 1.633 1.503 ( -2.542 0.000 -3.673) 4.467 1.523 ( 10.697 0.000 4.345) 11.546 1.551 ( 2.996 0.000 1.221) 3.235 1.623 ( -5.097 0.000 5.136) 7.236 1.708 ( 1.942 0.000 -1.525) 2.469 1.733 ( -4.676 0.000 -0.011) 4.676 1.944 ( -7.023 0.000 -8.228) 10.818 2.004 ( 2.003 0.000 -6.407) 6.713 2.358 ( -5.244 0.000 -1.225) 5.385 2.362 ( 0.766 0.000 -4.377) 4.444 2.463 ( -13.461 0.000 2.729) 13.735 2.471 ( -7.360 0.000 -0.988) 7.426 2.488 ( -0.302 0.000 4.061) 4.072 2.596 ( 5.601 0.000 2.132) 5.993 2.701 ( 2.652 0.000 -0.698) 2.742 2.747 ( 3.012 0.000 -4.683) 5.569 2.877 ( -2.801 0.000 0.748) 2.900 3.004 ( 2.177 0.000 1.583) 2.691 3.105 ( 3.445 0.000 0.448) 3.474 3.188 ( 4.308 0.000 1.329) 4.508 3.446 ( 6.520 0.000 -0.692) 6.557 3.488 ( 9.496 0.000 -4.585) 10.546 3.616 ( -1.539 0.000 1.791) 2.362 3.668 ( -2.182 0.000 3.133) 3.818 3.709 ( -0.530 0.000 -1.384) 1.482 3.890 ( 10.874 0.000 1.722) 11.010 4.323 ( -3.171 0.000 -1.073) 3.347 4.348 ( -1.589 0.000 0.287) 1.615 4.476 ( -3.484 0.000 3.360) 4.840 4.618 ( -0.338 0.000 -2.726) 2.747 5.280 ( -0.914 0.000 -0.719) 1.163 5.284 ( 0.849 0.000 0.832) 1.189 7.653 ( -0.802 0.000 0.695) 1.061 7.664 ( -0.467 0.000 -0.534) 0.710 7.854 ( -1.046 0.000 3.595) 3.744 8.318 ( 6.573 0.000 -11.693) 13.414 8.632 ( 0.370 0.000 1.535) 1.579 8.711 ( -2.538 0.000 -0.094) 2.539 8.724 ( -2.230 0.000 2.108) 3.068 8.739 ( 0.289 0.000 -3.257) 3.270 8.925 ( -5.699 0.000 11.009) 12.396 8.976 ( -1.515 0.000 2.885) 3.259 9.130 ( -0.117 0.000 -1.001) 1.008 9.513 ( 3.021 0.000 -5.600) 6.363 9.865 ( -4.595 0.000 -0.758) 4.657 10.043 ( -3.586 0.000 0.634) 3.642 10.115 ( -0.397 0.000 -1.674) 1.721 10.140 ( -6.125 0.000 1.138) 6.230 10.216 ( -0.824 0.000 -1.146) 1.412 10.222 ( 3.770 0.000 1.955) 4.247 10.481 ( 1.686 0.000 -0.893) 1.908 10.518 ( 5.574 0.000 2.846) 6.258 10.613 ( 1.694 0.000 -0.322) 1.724 10.661 ( 1.693 0.000 -0.305) 1.720 11.164 ( -8.137 0.000 -2.294) 8.454 11.295 ( -0.719 0.000 2.611) 2.708 11.353 ( 0.080 0.000 1.293) 1.295 11.378 ( -2.353 0.000 -0.935) 2.532 11.490 ( -4.066 0.000 -2.306) 4.674 11.631 ( -0.732 0.000 0.272) 0.781 11.774 ( 5.013 0.000 2.031) 5.409 11.781 ( 3.205 0.000 -0.824) 3.309 12.036 ( 0.340 0.000 -1.158) 1.207 12.073 ( 3.656 0.000 0.355) 3.673 12.911 ( 0.600 0.000 -0.559) 0.820 12.980 ( 3.419 0.000 0.621) 3.475 13.259 ( -0.365 0.000 -1.750) 1.788 13.321 ( 4.145 0.000 1.648) 4.461 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -16.638 0.000 8.677) 18.765 0.695 ( -17.778 0.000 -1.684) 17.858 1.000 ( -7.371 0.000 0.559) 7.392 1.037 ( 1.257 0.000 1.507) 1.962 1.124 ( -3.960 0.000 3.168) 5.072 1.143 ( -1.109 0.000 0.416) 1.185 1.172 ( -0.229 0.000 -0.721) 0.756 1.216 ( -15.269 0.000 -0.512) 15.277 1.329 ( -4.205 0.000 1.762) 4.560 1.345 ( -2.293 0.000 -5.734) 6.176 1.354 ( -0.168 0.000 1.325) 1.336 1.538 ( -3.506 0.000 -1.392) 3.772 1.569 ( -1.989 0.000 0.867) 2.170 1.661 ( 1.231 0.000 -2.723) 2.989 1.670 ( -1.007 0.000 1.211) 1.575 1.812 ( -1.153 0.000 -1.534) 1.919 1.890 ( 8.689 0.000 9.739) 13.052 1.971 ( -0.241 0.000 -5.284) 5.290 2.152 ( -5.055 0.000 4.226) 6.589 2.191 ( -5.782 0.000 -1.238) 5.913 2.493 ( 5.515 0.000 -5.161) 7.553 2.504 ( 5.067 0.000 0.917) 5.149 2.559 ( 1.952 0.000 4.495) 4.901 2.679 ( 2.551 0.000 -0.766) 2.663 2.772 ( 1.179 0.000 -2.196) 2.493 2.782 ( 7.145 0.000 -2.717) 7.644 2.852 ( 1.154 0.000 -0.062) 1.156 3.065 ( 0.858 0.000 2.325) 2.479 3.160 ( 2.087 0.000 -1.183) 2.399 3.205 ( 1.339 0.000 -2.661) 2.978 3.443 ( -2.768 0.000 0.111) 2.770 3.463 ( -7.193 0.000 1.643) 7.378 3.682 ( 1.345 0.000 3.327) 3.589 3.685 ( -0.655 0.000 -3.567) 3.627 3.762 ( 10.347 0.000 1.067) 10.402 4.112 ( 10.522 0.000 -3.081) 10.964 4.263 ( -2.438 0.000 2.174) 3.267 4.263 ( -7.427 0.000 -0.322) 7.434 4.428 ( -5.279 0.000 4.628) 7.020 4.614 ( 2.521 0.000 -2.734) 3.719 5.260 ( -0.572 0.000 -0.523) 0.775 5.310 ( 1.194 0.000 0.604) 1.338 7.638 ( -1.644 0.000 1.048) 1.950 7.649 ( -0.621 0.000 -0.666) 0.911 7.872 ( -0.595 0.000 3.449) 3.500 8.334 ( 7.040 0.000 -12.048) 13.954 8.652 ( -3.144 0.000 -0.262) 3.155 8.655 ( 0.444 0.000 1.432) 1.500 8.696 ( -2.121 0.000 1.056) 2.369 8.725 ( 0.948 0.000 -2.826) 2.981 8.916 ( -6.780 0.000 12.252) 14.003 8.969 ( -1.931 0.000 2.450) 3.119 9.118 ( -0.189 0.000 -0.853) 0.874 9.520 ( 3.298 0.000 -5.663) 6.553 9.798 ( -2.700 0.000 0.310) 2.718 9.948 ( -4.658 0.000 -0.765) 4.720 10.039 ( -5.600 0.000 1.382) 5.768 10.057 ( -4.787 0.000 -0.243) 4.793 10.253 ( 3.619 0.000 -0.888) 3.726 10.272 ( -0.022 0.000 0.469) 0.469 10.504 ( 2.033 0.000 -1.308) 2.417 10.560 ( -0.184 0.000 1.730) 1.740 10.706 ( 3.327 0.000 0.159) 3.331 10.721 ( 6.424 0.000 -0.360) 6.435 11.017 ( -5.124 0.000 -0.106) 5.125 11.196 ( -7.576 0.000 -0.210) 7.579 11.393 ( 1.442 0.000 -0.422) 1.502 11.401 ( 3.143 0.000 1.952) 3.699 11.406 ( -4.047 0.000 -0.189) 4.052 11.566 ( -3.972 0.000 -0.949) 4.084 11.829 ( 0.845 0.000 -0.861) 1.207 11.886 ( 4.911 0.000 2.283) 5.416 12.046 ( 1.850 0.000 -1.186) 2.198 12.147 ( 4.385 0.000 -0.100) 4.386 12.930 ( 1.741 0.000 -0.227) 1.756 13.063 ( 4.463 0.000 1.514) 4.713 13.238 ( -0.005 0.000 -2.502) 2.502 13.414 ( 4.262 0.000 1.156) 4.416 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( -13.652 0.000 5.280) 14.638 0.356 ( -18.639 0.000 1.462) 18.696 0.641 ( -27.035 0.000 5.178) 27.526 0.947 ( -11.594 0.000 6.915) 13.499 1.055 ( -0.411 0.000 -1.557) 1.611 1.118 ( -0.710 0.000 -1.820) 1.953 1.128 ( -0.398 0.000 -2.660) 2.690 1.164 ( -0.144 0.000 0.054) 0.154 1.236 ( -6.043 0.000 2.175) 6.423 1.322 ( 0.467 0.000 -4.191) 4.217 1.368 ( -0.228 0.000 2.402) 2.412 1.495 ( 0.020 0.000 -1.698) 1.698 1.543 ( -1.223 0.000 0.267) 1.252 1.659 ( 2.376 0.000 -4.072) 4.715 1.676 ( 0.107 0.000 0.697) 0.705 1.856 ( 4.283 0.000 5.677) 7.112 1.874 ( -5.010 0.000 0.464) 5.032 1.973 ( 1.790 0.000 -3.003) 3.497 2.145 ( 1.296 0.000 0.129) 1.303 2.322 ( 4.498 0.000 6.015) 7.511 2.534 ( 3.657 0.000 -6.721) 7.652 2.610 ( 3.801 0.000 2.532) 4.567 2.630 ( 3.499 0.000 4.294) 5.539 2.690 ( 1.132 0.000 -4.623) 4.759 2.744 ( 0.029 0.000 0.807) 0.807 2.845 ( 4.069 0.000 -5.992) 7.243 2.910 ( 2.878 0.000 1.075) 3.072 3.068 ( -1.267 0.000 4.267) 4.452 3.126 ( -2.806 0.000 -1.320) 3.101 3.269 ( 6.027 0.000 -0.757) 6.075 3.356 ( -6.087 0.000 4.260) 7.430 3.473 ( 4.054 0.000 3.191) 5.159 3.601 ( -3.671 0.000 -5.002) 6.204 3.729 ( 0.722 0.000 1.649) 1.800 3.917 ( 2.752 0.000 3.211) 4.229 4.132 ( -4.011 0.000 0.103) 4.013 4.137 ( -0.377 0.000 -3.907) 3.925 4.289 ( -0.037 0.000 -0.988) 0.988 4.409 ( -1.460 0.000 6.679) 6.836 4.641 ( 2.575 0.000 -2.533) 3.612 5.254 ( 0.083 0.000 0.070) 0.108 5.332 ( 0.837 0.000 -0.241) 0.871 7.617 ( -1.628 0.000 1.043) 1.934 7.634 ( -0.318 0.000 -0.498) 0.591 7.888 ( -1.029 0.000 3.319) 3.475 8.353 ( 7.216 0.000 -12.591) 14.512 8.608 ( -1.418 0.000 0.138) 1.425 8.653 ( -1.401 0.000 0.351) 1.444 8.686 ( -0.097 0.000 0.747) 0.753 8.721 ( 1.225 0.000 -2.196) 2.514 8.903 ( -7.079 0.000 12.980) 14.785 8.952 ( -2.118 0.000 2.336) 3.154 9.110 ( -0.026 0.000 -0.547) 0.547 9.527 ( 3.123 0.000 -5.928) 6.700 9.769 ( -1.233 0.000 1.164) 1.696 9.886 ( -1.450 0.000 -0.415) 1.509 9.969 ( -3.237 0.000 0.727) 3.318 9.972 ( -3.547 0.000 -1.154) 3.730 10.246 ( -2.051 0.000 -0.001) 2.051 10.279 ( -0.088 0.000 -0.118) 0.147 10.543 ( 3.570 0.000 -1.343) 3.814 10.594 ( 2.003 0.000 1.960) 2.802 10.727 ( -3.231 0.000 -1.963) 3.781 10.766 ( 1.671 0.000 1.035) 1.965 11.029 ( 3.626 0.000 1.391) 3.884 11.085 ( -2.556 0.000 -1.772) 3.110 11.331 ( -3.948 0.000 1.129) 4.106 11.408 ( -0.008 0.000 0.533) 0.533 11.476 ( 2.481 0.000 0.546) 2.540 11.504 ( -1.866 0.000 0.573) 1.952 11.800 ( -1.573 0.000 -1.303) 2.043 11.967 ( 2.355 0.000 -0.525) 2.412 12.080 ( 2.082 0.000 1.242) 2.425 12.216 ( 2.981 0.000 -0.196) 2.987 12.957 ( 0.910 0.000 -0.293) 0.956 13.145 ( 2.605 0.000 -0.750) 2.710 13.224 ( 0.720 0.000 0.430) 0.838 13.480 ( 2.252 0.000 -0.250) 2.266 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 2.030 11.621 7.347) 13.897 0.494 ( -5.138 12.453 12.347) 18.274 0.768 ( 2.111 22.353 9.295) 24.301 0.906 ( -1.927 5.501 -5.276) 7.861 1.045 ( -0.591 4.133 0.217) 4.181 1.092 ( -0.124 2.547 -2.227) 3.385 1.163 ( 0.178 0.883 0.632) 1.101 1.190 ( 2.848 2.692 1.040) 4.055 1.215 ( -2.033 1.911 1.211) 3.042 1.327 ( 0.016 2.808 1.417) 3.146 1.429 ( 0.990 2.790 1.626) 3.378 1.486 ( 0.184 -0.002 -1.873) 1.882 1.532 ( -0.752 1.114 0.391) 1.399 1.676 ( -1.604 1.105 -1.080) 2.228 1.695 ( 3.751 1.271 -3.521) 5.299 1.827 ( -2.062 1.234 -0.383) 2.434 1.885 ( 1.605 -4.189 0.567) 4.521 1.952 ( 1.872 -3.510 -4.434) 5.957 2.115 ( 0.452 0.045 2.407) 2.449 2.212 ( -7.429 -3.227 -4.393) 9.214 2.411 ( -1.356 -4.007 -2.641) 4.987 2.583 ( -0.209 -2.073 -1.983) 2.877 2.653 ( -0.552 -4.519 -0.788) 4.621 2.677 ( 1.957 -4.888 -0.205) 5.270 2.844 ( 1.933 -3.770 7.281) 8.424 2.940 ( 2.992 4.275 -2.328) 5.714 3.000 ( -1.909 1.829 -0.529) 2.696 3.098 ( -2.524 4.963 3.820) 6.752 3.206 ( 5.602 4.367 3.464) 7.902 3.242 ( -1.006 -3.676 -0.719) 3.878 3.353 ( 1.166 -3.718 4.702) 6.106 3.431 ( -4.700 -2.527 -5.042) 7.342 3.610 ( 4.517 -1.748 2.634) 5.513 3.661 ( -1.957 -2.296 -3.032) 4.277 3.848 ( 1.143 -5.210 2.881) 6.062 4.037 ( -2.348 -4.353 -0.728) 4.999 4.204 ( 1.441 5.152 -2.560) 5.931 4.263 ( -0.699 1.088 -4.226) 4.419 4.451 ( -3.647 1.774 5.454) 6.797 4.636 ( 1.966 -2.618 -0.917) 3.400 5.150 ( 0.356 -10.473 0.928) 10.520 5.236 ( -0.315 -8.795 -1.158) 8.876 7.652 ( -0.481 4.770 0.851) 4.869 7.696 ( 0.334 5.698 -0.542) 5.733 7.919 ( -1.751 2.672 3.093) 4.447 8.377 ( 6.316 0.916 -12.607) 14.130 8.549 ( 0.191 -4.580 0.699) 4.637 8.606 ( -0.239 -3.753 -0.684) 3.822 8.675 ( -0.453 -0.318 0.380) 0.671 8.726 ( 1.231 -0.762 -1.019) 1.771 8.870 ( -6.617 -1.742 12.644) 14.376 8.960 ( -0.968 0.858 2.468) 2.787 9.106 ( 0.335 -0.758 -0.877) 1.207 9.461 ( 2.633 -5.654 -5.159) 8.094 9.811 ( 0.079 3.554 1.924) 4.042 9.903 ( 0.279 1.734 -0.180) 1.765 9.941 ( -1.602 1.298 -0.738) 2.190 9.962 ( 0.931 3.233 -1.329) 3.618 10.242 ( 0.422 1.112 0.641) 1.351 10.293 ( -0.414 2.032 -0.930) 2.273 10.586 ( -1.164 -1.724 0.140) 2.085 10.612 ( 1.212 1.129 -0.267) 1.678 10.703 ( 2.192 0.441 0.769) 2.364 10.745 ( -1.877 -1.126 -0.255) 2.203 11.080 ( -0.808 1.356 0.010) 1.578 11.112 ( 2.216 2.045 -0.932) 3.156 11.263 ( -1.938 -3.448 2.550) 4.706 11.382 ( 0.445 -2.644 0.681) 2.766 11.412 ( -0.889 -5.785 -1.580) 6.063 11.452 ( -0.427 -1.871 -0.746) 2.059 11.812 ( 1.522 0.660 1.628) 2.324 11.969 ( -1.187 0.169 -3.783) 3.969 12.098 ( 0.449 -2.876 2.608) 3.908 12.206 ( 0.003 -3.391 -0.686) 3.460 12.992 ( 0.439 2.820 1.651) 3.297 13.148 ( -0.966 1.944 -2.850) 3.583 13.305 ( 1.499 1.993 3.057) 3.945 13.486 ( -0.824 0.231 -1.960) 2.139 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -0.954 9.962 13.555) 16.849 0.571 ( 10.658 6.708 7.183) 14.497 0.860 ( 3.954 5.114 -7.952) 10.248 0.949 ( 4.239 9.909 -3.025) 11.194 1.056 ( 3.718 9.832 -0.069) 10.512 1.108 ( 1.324 -1.125 0.844) 1.932 1.186 ( 0.509 2.901 -1.850) 3.478 1.213 ( 3.446 2.664 4.474) 6.244 1.261 ( 2.535 2.894 2.639) 4.665 1.376 ( 2.978 -0.451 2.822) 4.128 1.446 ( -0.145 0.037 -4.071) 4.074 1.510 ( 5.396 5.861 3.161) 8.571 1.538 ( 0.749 0.626 1.007) 1.403 1.642 ( -1.009 1.342 0.049) 1.679 1.724 ( 1.412 2.543 -2.154) 3.620 1.823 ( 2.383 0.067 -1.367) 2.748 1.893 ( 0.133 -3.489 -1.183) 3.686 1.921 ( 2.206 -2.619 -7.770) 8.491 2.060 ( -5.071 0.282 1.186) 5.215 2.182 ( 3.451 1.916 3.401) 5.211 2.370 ( -1.255 -2.188 -1.672) 3.026 2.522 ( -2.264 1.285 -3.233) 4.151 2.628 ( -1.633 -5.095 0.119) 5.352 2.707 ( 1.719 -4.555 -0.613) 4.907 2.892 ( -4.724 -2.659 4.532) 7.066 2.906 ( -3.703 3.121 -1.733) 5.144 2.950 ( -3.606 4.791 1.315) 6.139 3.075 ( -3.202 -1.159 2.817) 4.419 3.193 ( -3.818 -4.271 -0.532) 5.753 3.281 ( -3.335 -1.757 -0.805) 3.855 3.381 ( -1.229 -3.238 3.779) 5.126 3.404 ( 5.444 0.053 2.070) 5.824 3.559 ( -0.402 0.675 -5.142) 5.202 3.744 ( 4.164 -2.876 1.998) 5.441 3.876 ( -2.610 -3.534 1.786) 4.743 4.034 ( 3.414 -5.463 -0.315) 6.450 4.210 ( -0.007 0.433 -4.434) 4.455 4.213 ( 1.668 2.589 -2.195) 3.781 4.417 ( -4.743 1.715 5.041) 7.131 4.662 ( 1.307 -0.634 -0.490) 1.533 5.167 ( 0.292 -9.994 1.336) 10.087 5.205 ( -1.495 -9.286 -1.604) 9.542 7.659 ( 0.507 5.031 0.624) 5.095 7.706 ( 1.002 5.356 -0.104) 5.450 7.910 ( -2.297 2.789 3.088) 4.753 8.367 ( 4.935 0.996 -12.238) 13.233 8.572 ( 1.324 -4.447 0.937) 4.734 8.613 ( 1.798 -4.218 -1.144) 4.726 8.665 ( -0.748 0.250 0.177) 0.809 8.743 ( 1.430 -1.009 -0.884) 1.961 8.867 ( -6.133 -1.427 12.335) 13.850 8.965 ( -0.899 0.738 2.242) 2.526 9.105 ( 0.394 -0.983 -0.517) 1.179 9.465 ( 2.760 -5.330 -5.122) 7.891 9.841 ( 0.907 3.659 2.681) 4.626 9.914 ( 1.502 2.126 -1.422) 2.966 9.938 ( 2.831 1.101 -0.587) 3.094 9.999 ( 3.826 2.905 -0.779) 4.867 10.263 ( 0.482 0.832 0.145) 0.972 10.293 ( 1.288 1.715 -0.358) 2.174 10.531 ( -2.566 -0.523 -0.598) 2.686 10.620 ( -2.925 0.653 1.991) 3.598 10.701 ( 0.529 -0.831 -1.720) 1.982 10.794 ( 2.484 0.700 0.434) 2.617 11.005 ( -3.868 0.470 0.100) 3.897 11.118 ( -0.306 0.733 -0.844) 1.160 11.314 ( 3.471 -4.786 2.171) 6.298 11.363 ( -1.624 -2.510 -1.282) 3.252 11.412 ( 1.685 -1.515 1.399) 2.663 11.482 ( 3.376 -3.020 -0.655) 4.576 11.851 ( 0.232 -0.038 1.313) 1.334 11.893 ( -2.866 1.070 -2.855) 4.185 12.109 ( -1.727 -3.016 2.346) 4.193 12.173 ( -2.551 -3.195 -1.155) 4.249 13.009 ( -0.836 2.724 2.182) 3.589 13.086 ( -2.751 2.573 -2.754) 4.666 13.348 ( -0.266 0.787 3.506) 3.603 13.423 ( -3.294 0.225 -3.124) 4.546 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.240 7.392 12.944) 14.908 0.828 ( 9.413 5.275 -3.582) 11.370 0.884 ( 7.447 2.146 -0.498) 7.766 0.991 ( 5.292 8.294 -1.895) 10.019 1.091 ( 1.306 2.592 -1.180) 3.133 1.100 ( -0.484 0.777 -0.915) 1.295 1.207 ( 2.815 2.180 -2.410) 4.300 1.277 ( 0.616 2.730 2.594) 3.816 1.323 ( 0.686 1.113 0.435) 1.378 1.375 ( -1.197 2.061 -3.617) 4.332 1.467 ( 2.167 0.828 4.286) 4.874 1.563 ( 1.674 2.779 -0.004) 3.244 1.590 ( 0.115 1.335 -3.088) 3.366 1.683 ( -0.034 2.537 0.744) 2.644 1.789 ( -0.033 4.535 3.832) 5.938 1.804 ( -1.320 -1.348 1.621) 2.488 1.917 ( 9.798 -3.102 0.084) 10.277 2.007 ( 9.241 -0.150 -4.652) 10.347 2.107 ( 13.029 3.779 -0.425) 13.573 2.283 ( 5.375 2.338 1.110) 5.965 2.345 ( -1.910 -0.634 3.366) 3.922 2.462 ( -2.248 0.588 -1.817) 2.950 2.594 ( -3.758 -2.509 0.354) 4.532 2.717 ( -4.302 1.087 0.163) 4.441 2.732 ( -3.256 0.179 -4.069) 5.215 2.807 ( -7.741 2.916 -0.114) 8.273 2.928 ( -3.702 -4.412 3.634) 6.810 3.028 ( -3.713 -2.428 0.750) 4.499 3.070 ( -5.372 -5.775 -2.368) 8.235 3.216 ( -3.036 -0.071 -0.648) 3.105 3.393 ( -0.023 -6.623 1.515) 6.794 3.513 ( 3.576 -0.992 1.740) 4.099 3.566 ( 3.158 2.204 -1.798) 4.250 3.755 ( -3.160 0.192 -0.395) 3.190 3.863 ( -1.731 -1.016 4.312) 4.756 3.976 ( -7.688 -0.560 -5.765) 9.626 4.210 ( 2.240 -4.816 -2.569) 5.900 4.277 ( 6.101 -2.529 2.108) 6.933 4.394 ( -1.916 1.165 3.364) 4.043 4.670 ( 0.263 1.608 -0.632) 1.748 5.162 ( -1.287 -10.576 -1.235) 10.725 5.184 ( 0.200 -9.806 1.030) 9.862 7.678 ( 1.018 5.120 0.261) 5.227 7.724 ( 0.782 5.167 0.195) 5.229 7.895 ( -2.455 2.943 3.281) 5.045 8.342 ( 4.465 1.033 -11.648) 12.517 8.604 ( 1.132 -3.013 0.640) 3.281 8.642 ( 2.020 -4.484 -0.819) 4.986 8.664 ( 0.737 -0.719 0.407) 1.107 8.758 ( 1.268 -0.975 -1.205) 2.003 8.871 ( -5.174 -0.988 11.540) 12.685 8.969 ( -0.925 0.790 2.393) 2.684 9.111 ( 0.656 -1.398 -0.443) 1.607 9.467 ( 2.549 -4.845 -5.089) 7.474 9.894 ( 2.601 3.576 2.599) 5.129 9.949 ( 3.708 2.387 -2.081) 4.877 10.016 ( 5.906 1.482 -0.110) 6.090 10.080 ( 5.393 2.057 -0.045) 5.772 10.256 ( -1.710 0.681 0.219) 1.854 10.295 ( -1.493 2.152 -0.498) 2.666 10.497 ( -0.767 -0.456 -1.255) 1.540 10.571 ( -3.726 -0.885 1.951) 4.298 10.683 ( -1.604 0.645 -0.971) 1.983 10.737 ( -5.754 2.635 -0.187) 6.331 11.062 ( 6.453 -1.675 2.211) 7.024 11.129 ( 4.006 -1.133 -2.526) 4.870 11.307 ( -2.353 -3.399 -0.303) 4.145 11.382 ( 0.660 -3.228 1.076) 3.466 11.480 ( 3.455 -1.256 2.467) 4.428 11.534 ( 2.992 -2.560 -1.674) 4.278 11.807 ( -2.612 0.779 -1.803) 3.268 11.861 ( -1.858 0.673 1.359) 2.399 12.078 ( -3.117 -2.734 0.844) 4.231 12.106 ( -3.452 -2.041 -0.733) 4.076 12.996 ( -2.557 1.704 1.200) 3.298 13.014 ( -2.822 2.004 -1.153) 3.648 13.328 ( -3.429 0.693 -2.944) 4.572 13.356 ( -2.047 0.508 2.725) 3.446 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -0.515 6.027 10.685) 12.279 0.889 ( 5.172 4.649 -1.725) 7.165 1.011 ( 1.846 -0.027 -0.557) 1.929 1.071 ( 1.074 -0.097 -0.073) 1.081 1.086 ( 3.826 3.652 0.034) 5.290 1.174 ( 5.716 -0.045 0.920) 5.789 1.229 ( 1.840 1.684 -1.559) 2.941 1.289 ( -1.312 -0.191 -2.683) 2.993 1.302 ( -0.707 3.055 2.833) 4.226 1.360 ( -0.317 3.206 0.625) 3.281 1.560 ( 1.314 2.584 -1.500) 3.264 1.562 ( 0.276 1.350 3.302) 3.578 1.585 ( 3.803 6.630 -1.597) 7.809 1.676 ( -1.488 2.408 1.249) 3.094 1.748 ( -2.551 2.077 -0.509) 3.329 1.808 ( 0.911 4.042 1.092) 4.285 1.980 ( 2.330 -5.009 -4.806) 7.322 2.201 ( 2.847 -2.018 -1.334) 3.736 2.326 ( 1.443 -1.739 2.731) 3.545 2.388 ( -2.289 2.257 0.094) 3.216 2.434 ( 6.041 2.464 0.263) 6.529 2.447 ( 11.663 2.392 -1.145) 11.960 2.478 ( -0.327 0.311 -0.124) 0.468 2.587 ( -2.676 2.333 0.614) 3.603 2.716 ( 0.244 -0.586 0.063) 0.638 2.756 ( 2.583 -0.414 -2.764) 3.806 2.856 ( -0.598 -7.099 -4.158) 8.248 2.968 ( -3.198 -4.008 1.165) 5.258 3.032 ( -0.472 -0.101 3.626) 3.658 3.178 ( -1.326 1.123 1.061) 2.036 3.396 ( -2.046 -9.594 0.107) 9.811 3.458 ( -10.736 -0.325 0.232) 10.744 3.579 ( -5.005 4.307 -1.305) 6.731 3.704 ( -0.812 1.013 1.964) 2.354 3.790 ( -3.068 -0.353 -3.882) 4.960 3.852 ( -1.913 4.460 1.444) 5.064 4.245 ( 2.625 -7.354 -0.506) 7.825 4.373 ( 1.756 -2.628 -1.437) 3.472 4.409 ( 1.100 -0.849 4.290) 4.509 4.665 ( 0.219 1.318 -1.246) 1.827 5.141 ( -0.202 -11.415 -0.302) 11.420 5.192 ( -0.101 -10.285 0.360) 10.291 7.697 ( 0.820 5.109 0.112) 5.176 7.733 ( 0.060 5.187 0.084) 5.188 7.883 ( -2.228 3.047 3.529) 5.168 8.325 ( 5.110 1.113 -11.338) 12.486 8.618 ( -0.093 -0.125 0.717) 0.734 8.668 ( 1.016 -4.871 0.509) 5.002 8.687 ( 0.871 -3.444 0.329) 3.568 8.768 ( 1.226 -0.658 -1.629) 2.142 8.887 ( -4.031 -0.786 10.279) 11.069 8.975 ( -0.984 0.717 2.751) 3.009 9.118 ( 0.590 -1.643 -0.604) 1.847 9.466 ( 2.404 -4.536 -5.076) 7.220 9.985 ( 4.911 2.937 0.910) 5.794 9.997 ( 3.778 2.994 -0.648) 4.864 10.132 ( 3.448 2.371 -0.296) 4.195 10.168 ( 1.364 1.378 -0.478) 1.997 10.196 ( 0.998 2.644 0.124) 2.828 10.256 ( -2.291 0.225 0.553) 2.368 10.444 ( -4.112 -0.084 -0.552) 4.150 10.529 ( -3.031 -0.443 1.426) 3.379 10.644 ( -1.579 0.637 -0.461) 1.764 10.669 ( -1.486 3.078 0.291) 3.430 11.148 ( 3.605 -2.864 -1.915) 4.986 11.255 ( 5.377 -2.102 1.876) 6.071 11.273 ( 1.312 -5.099 0.473) 5.286 11.386 ( -0.105 -3.327 -0.076) 3.329 11.537 ( -0.861 -0.528 -2.607) 2.796 11.559 ( 3.122 -0.808 1.675) 3.634 11.744 ( -3.682 0.532 -0.240) 3.728 11.840 ( -1.451 0.698 1.142) 1.974 12.017 ( -2.781 -1.895 -1.135) 3.551 12.056 ( -1.810 -1.429 0.383) 2.338 12.952 ( -1.351 0.850 -0.880) 1.823 12.966 ( -2.915 0.792 0.930) 3.161 13.264 ( -1.144 1.542 -1.432) 2.395 13.331 ( -2.581 0.641 1.311) 2.965 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -3.997 5.586 10.078) 12.196 0.965 ( 1.025 1.368 2.580) 3.095 1.033 ( 1.108 0.236 0.783) 1.377 1.088 ( 0.811 0.602 0.299) 1.053 1.143 ( 1.109 1.346 2.334) 2.914 1.213 ( -2.812 -1.845 -0.104) 3.364 1.245 ( -1.148 -0.256 -1.307) 1.759 1.270 ( 4.721 1.115 -0.627) 4.891 1.312 ( 0.252 2.285 1.378) 2.680 1.358 ( -0.231 2.527 0.345) 2.561 1.508 ( -2.592 -0.888 -3.818) 4.699 1.599 ( 2.121 6.259 0.426) 6.622 1.639 ( -2.065 7.662 -0.231) 7.939 1.657 ( -1.450 -0.470 2.767) 3.159 1.727 ( 1.568 7.281 -0.655) 7.477 1.831 ( -0.333 6.442 -0.257) 6.456 1.984 ( 2.070 -1.674 -3.278) 4.223 2.115 ( -2.954 -1.653 -8.008) 8.693 2.296 ( 0.980 -0.924 -1.783) 2.234 2.377 ( -1.249 0.235 2.060) 2.421 2.429 ( -1.840 -0.965 2.179) 3.011 2.481 ( 2.402 -1.371 4.735) 5.484 2.610 ( 4.276 -2.821 -1.480) 5.332 2.687 ( -1.228 -0.829 -0.336) 1.519 2.702 ( -2.135 0.816 -0.643) 2.374 2.789 ( 2.229 -0.227 -4.593) 5.110 2.911 ( 1.261 -7.625 2.571) 8.145 2.962 ( 3.357 -0.975 0.871) 3.602 3.062 ( -16.784 4.094 -1.294) 17.325 3.088 ( 4.020 1.602 -2.365) 4.932 3.262 ( 6.822 0.252 0.496) 6.844 3.414 ( -1.032 -1.382 2.338) 2.905 3.487 ( 0.698 -4.386 1.853) 4.812 3.708 ( -2.374 0.519 -1.064) 2.653 3.766 ( 2.057 0.798 -1.550) 2.696 3.852 ( 0.435 5.432 1.311) 5.605 4.279 ( 0.888 -5.790 1.001) 5.943 4.354 ( -1.433 -2.681 -1.954) 3.613 4.460 ( -0.110 -2.004 3.418) 3.964 4.653 ( -0.042 0.278 -2.126) 2.144 5.147 ( 0.594 -11.398 0.615) 11.430 5.186 ( -0.514 -10.574 -0.378) 10.594 7.708 ( 0.068 5.083 0.292) 5.092 7.730 ( -0.198 5.263 -0.249) 5.273 7.878 ( -1.774 3.025 3.585) 5.015 8.323 ( 5.873 1.172 -11.254) 12.749 8.621 ( -0.380 0.093 1.067) 1.136 8.679 ( -0.784 -4.355 1.284) 4.608 8.698 ( -0.113 -4.042 0.555) 4.081 8.765 ( 0.138 -0.542 -2.136) 2.208 8.903 ( -4.139 -1.019 9.494) 10.407 8.982 ( -1.231 0.601 3.091) 3.382 9.120 ( 0.276 -1.643 -0.823) 1.858 9.464 ( 2.480 -4.450 -5.146) 7.241 10.015 ( -5.191 3.222 -1.483) 6.287 10.051 ( 2.561 3.595 -1.519) 4.668 10.115 ( 5.663 2.452 2.642) 6.713 10.193 ( -3.278 1.101 -0.096) 3.459 10.242 ( -0.487 1.093 0.234) 1.219 10.259 ( 0.328 1.135 -0.097) 1.186 10.401 ( 1.862 0.330 2.019) 2.766 10.483 ( -1.631 0.517 -0.118) 1.715 10.627 ( -0.319 0.809 0.033) 0.870 10.662 ( 0.254 2.074 -0.532) 2.157 11.194 ( 2.196 -3.173 0.300) 3.870 11.244 ( -1.152 -4.201 -0.127) 4.358 11.358 ( -1.738 -4.373 0.811) 4.776 11.382 ( -0.464 -3.811 -1.086) 3.989 11.521 ( 3.671 -0.051 0.077) 3.672 11.588 ( -2.921 -0.708 -0.557) 3.057 11.705 ( 1.771 1.683 1.378) 2.805 11.810 ( -2.002 0.657 -1.504) 2.588 11.999 ( 1.327 -1.709 0.460) 2.212 12.035 ( -0.719 -1.387 -0.496) 1.639 12.931 ( -1.089 0.841 0.101) 1.380 12.946 ( 1.183 0.836 -0.100) 1.452 13.264 ( 1.622 1.192 0.378) 2.048 13.295 ( -1.626 0.784 -0.352) 1.839 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -11.998 7.247 9.790) 17.097 0.972 ( -5.157 0.126 -0.510) 5.183 1.002 ( -2.210 -0.538 1.213) 2.578 1.084 ( -1.296 1.184 -1.141) 2.094 1.154 ( -1.773 -0.304 1.155) 2.138 1.166 ( -1.999 1.408 1.604) 2.924 1.206 ( -0.681 1.761 -0.227) 1.901 1.319 ( 0.343 -0.549 -0.908) 1.116 1.329 ( -0.498 1.225 0.523) 1.422 1.362 ( -0.770 0.376 -1.624) 1.836 1.518 ( 8.421 -0.293 0.944) 8.479 1.573 ( -3.146 4.423 0.517) 5.452 1.629 ( -3.645 1.157 3.897) 5.460 1.705 ( 3.604 10.096 5.102) 11.872 1.724 ( 0.019 2.835 -2.847) 4.018 1.781 ( -3.946 6.264 0.353) 7.412 1.946 ( -4.385 1.294 -4.607) 6.490 2.009 ( 0.392 0.124 -8.219) 8.230 2.331 ( 2.484 -1.036 -3.251) 4.221 2.394 ( -5.195 2.710 2.180) 6.252 2.446 ( -6.299 -1.115 0.415) 6.410 2.494 ( -9.223 1.386 2.094) 9.559 2.535 ( -4.909 4.124 0.634) 6.443 2.608 ( 5.202 0.208 1.976) 5.569 2.665 ( 2.001 -2.024 -2.198) 3.596 2.733 ( 3.096 -0.958 -4.207) 5.311 2.833 ( -4.157 -3.876 -0.271) 5.690 2.955 ( 1.541 -4.981 1.864) 5.537 3.058 ( 3.499 -4.082 0.368) 5.389 3.185 ( 4.526 -0.314 1.979) 4.950 3.380 ( 2.593 -5.197 0.121) 5.809 3.502 ( 5.237 0.655 -1.245) 5.423 3.575 ( 6.258 -1.264 0.123) 6.386 3.656 ( -1.228 -0.326 -0.279) 1.301 3.769 ( -0.765 2.822 -1.183) 3.154 3.928 ( 8.474 3.015 1.281) 9.085 4.271 ( -4.180 -4.762 -1.450) 6.501 4.307 ( -0.998 -3.945 1.023) 4.196 4.465 ( -2.689 -0.777 3.793) 4.714 4.631 ( 0.313 0.664 -2.731) 2.828 5.168 ( -0.547 -10.630 -0.524) 10.657 5.172 ( 0.968 -10.516 0.715) 10.585 7.702 ( -1.006 4.789 0.341) 4.905 7.725 ( -0.252 5.583 -0.190) 5.592 7.884 ( -1.073 2.883 3.438) 4.613 8.333 ( 6.380 1.140 -11.373) 13.090 8.623 ( -0.707 -1.447 1.035) 1.915 8.666 ( -1.746 -4.186 1.236) 4.701 8.690 ( -1.515 -2.488 1.125) 3.123 8.739 ( -0.066 -0.350 -2.873) 2.895 8.905 ( -5.390 -1.326 10.050) 11.481 8.984 ( -1.673 0.492 3.066) 3.527 9.114 ( 0.025 -1.440 -0.887) 1.691 9.464 ( 2.658 -4.608 -5.266) 7.485 9.906 ( -4.657 3.849 -0.702) 6.083 10.066 ( -4.186 2.063 0.709) 4.721 10.143 ( -1.962 2.107 -1.069) 3.071 10.157 ( -3.714 2.198 0.820) 4.393 10.219 ( -1.233 0.315 -0.394) 1.332 10.244 ( 3.971 1.943 0.770) 4.487 10.480 ( 1.758 -0.165 -0.621) 1.872 10.517 ( 4.165 -0.136 2.170) 4.698 10.628 ( 1.631 1.449 -0.583) 2.258 10.679 ( 2.490 1.776 0.160) 3.063 11.137 ( -6.965 -2.568 -1.547) 7.583 11.272 ( 2.906 -3.144 0.857) 4.366 11.293 ( -5.356 -3.764 1.561) 6.729 11.374 ( 0.441 -1.545 0.260) 1.627 11.477 ( -4.561 -1.038 -2.385) 5.251 11.593 ( -0.310 -3.150 0.462) 3.199 11.785 ( 2.400 0.429 -0.943) 2.614 11.796 ( 4.477 1.768 1.642) 5.086 12.014 ( 0.221 -1.943 -1.004) 2.198 12.056 ( 3.312 -1.614 0.250) 3.693 12.929 ( 0.884 1.644 -0.457) 1.922 12.992 ( 3.548 1.059 0.581) 3.748 13.270 ( -0.196 0.963 -1.580) 1.861 13.325 ( 3.864 0.332 1.449) 4.140 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -15.094 8.734 6.825) 18.727 0.749 ( -14.432 5.481 0.041) 15.438 1.016 ( 0.362 -0.902 1.614) 1.884 1.049 ( -2.485 1.559 -0.794) 3.039 1.142 ( -0.735 0.109 -0.286) 0.797 1.162 ( -0.475 2.670 1.141) 2.942 1.192 ( -1.812 2.460 0.122) 3.058 1.277 ( -7.135 3.922 -0.164) 8.143 1.301 ( -0.734 -0.505 -2.552) 2.703 1.336 ( -2.209 0.438 2.145) 3.110 1.478 ( -5.811 5.942 -1.669) 8.477 1.550 ( -3.151 1.115 -1.374) 3.614 1.648 ( -7.874 6.497 0.556) 10.223 1.661 ( -0.452 3.394 1.880) 3.906 1.715 ( 2.008 4.220 -1.993) 5.080 1.797 ( -1.608 0.313 -1.498) 2.220 1.909 ( 4.454 0.176 5.336) 6.953 1.986 ( 1.414 2.527 -1.600) 3.308 2.154 ( -8.372 0.750 0.974) 8.462 2.217 ( -6.587 2.479 -0.304) 7.044 2.413 ( 5.400 -1.837 -2.032) 6.055 2.527 ( 1.102 -3.503 5.306) 6.453 2.584 ( 2.574 0.831 -0.377) 2.731 2.668 ( 1.491 -0.994 -1.722) 2.485 2.732 ( -1.283 -5.973 -4.328) 7.487 2.780 ( 7.789 1.616 -2.475) 8.331 2.831 ( 7.172 0.033 0.324) 7.180 3.006 ( 1.752 -3.816 2.690) 4.986 3.131 ( 4.964 -2.713 -1.041) 5.752 3.254 ( 1.872 3.172 0.119) 3.685 3.365 ( -3.747 -6.281 1.496) 7.465 3.469 ( -4.687 0.018 0.446) 4.708 3.641 ( -0.341 -1.753 -1.512) 2.340 3.707 ( 0.961 -0.828 -0.736) 1.467 3.765 ( 5.999 0.832 1.095) 6.155 4.124 ( 10.488 0.833 -2.200) 10.749 4.144 ( -7.090 -6.752 -1.104) 9.853 4.301 ( -1.478 -0.875 1.603) 2.350 4.447 ( -3.491 2.360 5.480) 6.913 4.619 ( 1.155 -0.168 -2.984) 3.204 5.147 ( -0.558 -10.640 -0.716) 10.679 5.206 ( 1.609 -9.682 0.681) 9.838 7.682 ( -1.491 4.518 0.436) 4.777 7.715 ( -0.705 5.888 -0.066) 5.930 7.900 ( -0.602 2.723 3.300) 4.320 8.349 ( 6.799 1.021 -11.700) 13.570 8.596 ( -2.628 -4.275 0.172) 5.021 8.654 ( -1.042 -3.384 1.150) 3.723 8.671 ( -1.134 -0.301 0.743) 1.389 8.721 ( 0.678 -0.450 -2.396) 2.530 8.893 ( -6.411 -1.546 11.237) 13.029 8.976 ( -1.978 0.516 2.728) 3.409 9.107 ( 0.078 -1.089 -0.775) 1.339 9.465 ( 2.664 -5.093 -5.329) 7.838 9.837 ( -2.797 3.719 0.257) 4.660 9.977 ( -4.306 2.549 -0.573) 5.037 10.044 ( -5.652 0.850 1.049) 5.811 10.089 ( -4.945 2.502 -0.142) 5.544 10.261 ( 2.504 0.856 0.359) 2.670 10.294 ( 1.267 2.045 -0.573) 2.473 10.500 ( 1.734 -0.292 -1.232) 2.147 10.553 ( 0.229 -0.712 1.432) 1.615 10.687 ( 3.880 -0.238 -0.599) 3.933 10.768 ( 4.927 2.888 0.365) 5.723 11.005 ( -4.468 -1.140 -0.109) 4.613 11.181 ( -6.574 -1.620 -0.213) 6.773 11.337 ( 2.959 -3.873 0.692) 4.923 11.387 ( -4.036 -1.577 0.314) 4.344 11.398 ( 0.948 -1.682 0.081) 1.933 11.543 ( -3.729 -2.181 -0.421) 4.341 11.819 ( 0.933 -0.616 -1.106) 1.573 11.897 ( 4.628 0.914 2.058) 5.146 12.022 ( 1.603 -2.164 -1.057) 2.893 12.124 ( 3.909 -2.169 0.017) 4.471 12.950 ( 1.706 1.845 -0.399) 2.544 13.074 ( 4.486 0.852 0.855) 4.645 13.258 ( 0.540 1.915 -1.765) 2.660 13.414 ( 4.260 0.046 1.180) 4.421 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -11.306 10.170 5.964) 16.335 0.540 ( -10.594 12.944 6.505) 17.947 0.888 ( -15.354 17.125 -0.188) 23.001 1.024 ( -8.740 4.424 0.804) 9.829 1.037 ( 0.417 -1.068 0.829) 1.415 1.141 ( -1.382 1.907 -2.376) 3.345 1.163 ( -0.596 3.758 0.563) 3.846 1.172 ( -1.288 2.489 -0.703) 2.889 1.253 ( -4.352 1.551 2.494) 5.250 1.326 ( -0.412 2.018 1.030) 2.303 1.417 ( -0.393 2.463 -0.438) 2.533 1.500 ( -0.466 0.823 -1.697) 1.943 1.560 ( -2.779 2.734 0.382) 3.917 1.666 ( 1.628 1.128 -1.667) 2.589 1.711 ( -0.550 3.359 -1.628) 3.774 1.824 ( 2.626 -1.662 1.942) 3.665 1.900 ( -5.698 2.373 -0.055) 6.173 1.945 ( 2.310 -2.708 -3.436) 4.947 2.120 ( -1.856 -0.155 -0.251) 1.879 2.270 ( 2.628 -3.850 5.295) 7.054 2.486 ( 0.114 -3.163 -2.720) 4.173 2.559 ( 0.465 -6.859 -2.483) 7.310 2.614 ( 3.972 -2.914 2.844) 5.688 2.666 ( 0.941 -2.067 -2.765) 3.578 2.714 ( 2.880 -3.200 3.920) 5.823 2.889 ( 6.338 4.338 -3.549) 8.461 2.963 ( 5.639 1.261 0.916) 5.850 3.083 ( 2.830 3.239 3.624) 5.625 3.165 ( -2.120 2.658 -3.941) 5.204 3.244 ( 2.576 -1.171 -0.288) 2.845 3.316 ( -4.583 -2.972 3.892) 6.707 3.473 ( 4.618 -1.940 2.427) 5.565 3.569 ( -4.379 -1.376 -3.991) 6.082 3.704 ( -0.414 -2.350 0.707) 2.488 3.849 ( -0.953 -4.472 1.095) 4.701 4.057 ( -0.864 -4.851 0.585) 4.961 4.207 ( 2.088 3.184 -3.753) 5.346 4.292 ( 0.119 0.271 -1.120) 1.158 4.448 ( -2.604 3.632 6.770) 8.112 4.619 ( 1.526 -2.356 -2.320) 3.642 5.140 ( 0.148 -10.802 0.040) 10.803 5.235 ( 1.073 -9.026 -0.234) 9.093 7.661 ( -1.255 4.528 0.746) 4.758 7.702 ( -0.438 5.951 -0.323) 5.976 7.916 ( -0.993 2.643 3.206) 4.272 8.367 ( 7.002 0.897 -12.220) 14.112 8.557 ( -1.542 -4.532 0.267) 4.795 8.629 ( -1.614 -3.472 -0.216) 3.835 8.673 ( 0.142 -0.325 0.507) 0.619 8.719 ( 0.808 -0.511 -1.356) 1.659 8.879 ( -6.723 -1.721 12.239) 14.069 8.964 ( -1.891 0.867 2.513) 3.262 9.105 ( 0.451 -0.764 -0.742) 1.157 9.464 ( 2.473 -5.659 -5.314) 8.148 9.807 ( -1.189 3.554 1.041) 3.889 9.918 ( -1.704 2.556 -0.460) 3.106 9.974 ( -2.781 1.177 0.418) 3.049 10.006 ( -3.571 2.485 -0.816) 4.427 10.254 ( -1.713 0.750 -0.054) 1.871 10.307 ( -0.132 2.481 -0.105) 2.487 10.538 ( 3.627 -0.751 -0.904) 3.812 10.590 ( 2.092 -0.389 1.296) 2.491 10.717 ( -1.365 -0.300 -1.038) 1.741 10.777 ( -1.351 0.614 0.193) 1.496 11.034 ( 4.081 0.456 1.276) 4.300 11.094 ( -0.781 0.597 -1.796) 2.047 11.313 ( -4.627 -1.602 1.587) 5.147 11.372 ( 0.569 -3.236 0.246) 3.295 11.422 ( 0.544 -5.030 0.055) 5.060 11.484 ( -2.281 -1.652 0.316) 2.834 11.801 ( -0.776 0.249 -0.892) 1.208 11.979 ( 2.891 0.328 -1.087) 3.106 12.052 ( 1.845 -2.545 1.422) 3.450 12.185 ( 2.596 -2.812 -0.214) 3.833 12.974 ( 0.891 1.973 0.222) 2.176 13.150 ( 2.951 0.280 -0.583) 3.021 13.262 ( 1.007 3.345 0.222) 3.501 13.482 ( 2.333 0.174 -0.210) 2.349 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -2.482 10.320 7.874) 13.216 0.785 ( -2.893 13.322 3.987) 14.204 0.971 ( -0.870 2.024 -3.967) 4.538 1.042 ( 1.423 -0.568 1.102) 1.887 1.120 ( 0.198 6.429 -1.512) 6.607 1.191 ( 0.844 3.685 3.635) 5.244 1.216 ( -0.143 3.406 -0.869) 3.518 1.260 ( 0.091 4.187 1.814) 4.564 1.302 ( -0.718 5.477 -0.149) 5.525 1.371 ( -0.849 -0.928 0.812) 1.497 1.459 ( 1.189 1.419 2.945) 3.479 1.510 ( -0.105 3.942 -2.439) 4.637 1.610 ( -1.197 3.436 -0.366) 3.657 1.727 ( 1.620 2.205 -2.358) 3.612 1.747 ( 2.275 4.046 -6.978) 8.381 1.790 ( 1.801 -2.190 -4.821) 5.593 1.891 ( 0.349 2.815 -2.555) 3.817 1.937 ( -0.370 4.255 1.246) 4.449 2.143 ( 1.408 2.211 1.214) 2.889 2.186 ( -5.596 1.273 0.201) 5.742 2.343 ( -1.448 -2.139 2.300) 3.458 2.477 ( 3.396 -8.629 6.104) 11.102 2.508 ( -0.184 -7.830 0.222) 7.835 2.534 ( 1.020 -7.051 -0.743) 7.163 2.783 ( -0.704 -0.811 4.229) 4.363 2.961 ( -0.364 -1.719 -1.380) 2.234 3.011 ( -1.841 -7.441 0.655) 7.694 3.119 ( 1.367 2.119 0.299) 2.540 3.241 ( -0.811 -5.981 4.514) 7.538 3.300 ( 1.026 1.284 -3.660) 4.012 3.354 ( -0.853 9.657 -2.716) 10.068 3.384 ( 0.108 6.135 0.637) 6.169 3.583 ( 1.022 -2.059 -1.983) 3.035 3.617 ( 0.148 -0.423 -0.133) 0.467 3.776 ( 1.571 -1.005 3.417) 3.893 3.951 ( -1.885 -4.078 -0.476) 4.517 4.271 ( -1.907 0.612 -3.582) 4.104 4.277 ( 2.711 0.450 -3.622) 4.547 4.506 ( -4.449 2.122 1.577) 5.175 4.517 ( 1.948 -9.894 0.724) 10.110 4.867 ( 1.353 -14.974 2.739) 15.282 5.014 ( -0.207 -11.078 -1.055) 11.130 7.795 ( -0.208 8.892 0.978) 8.948 7.855 ( 0.061 9.519 -0.663) 9.542 8.000 ( -1.430 5.116 2.709) 5.963 8.369 ( 4.494 -2.616 -8.546) 10.004 8.422 ( 0.379 -7.745 0.526) 7.772 8.488 ( -0.587 -7.561 -0.910) 7.638 8.669 ( -0.222 -0.275 0.233) 0.423 8.703 ( 0.713 -1.267 -0.546) 1.553 8.860 ( -4.565 1.677 8.775) 10.032 8.984 ( -0.728 1.320 1.642) 2.229 9.080 ( 0.184 -1.548 -0.498) 1.637 9.312 ( 2.106 -8.520 -3.987) 9.640 9.904 ( 0.576 4.783 1.134) 4.949 9.943 ( -0.111 2.250 -0.134) 2.256 9.982 ( -1.334 2.485 -0.716) 2.910 10.034 ( 0.566 3.054 -0.289) 3.119 10.270 ( 0.805 1.624 0.739) 1.958 10.351 ( -1.199 3.760 -1.849) 4.358 10.530 ( -0.218 -3.659 1.828) 4.096 10.645 ( 3.735 1.257 -1.577) 4.245 10.711 ( -4.807 -0.452 0.936) 4.918 10.742 ( 2.239 3.128 0.054) 3.847 11.104 ( 4.475 -3.022 -0.951) 5.483 11.124 ( -3.378 -0.525 -0.652) 3.480 11.205 ( -5.258 0.611 1.264) 5.442 11.253 ( 3.109 -8.367 -0.055) 8.926 11.323 ( 1.271 -2.872 0.905) 3.268 11.407 ( -0.939 -2.596 -1.090) 2.968 11.833 ( 0.870 1.386 1.470) 2.200 11.959 ( -0.637 -1.087 -2.289) 2.613 12.031 ( 0.154 -2.971 1.747) 3.450 12.123 ( -0.180 -4.250 -0.926) 4.353 13.063 ( 0.601 3.719 1.927) 4.231 13.179 ( 0.088 0.705 -0.369) 0.801 13.363 ( 0.319 3.340 0.633) 3.414 13.488 ( -0.839 -0.196 -1.916) 2.101 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 3.361 6.027 7.994) 10.561 0.814 ( 2.373 10.891 4.427) 11.993 0.941 ( 1.846 2.840 -4.271) 5.451 1.080 ( 1.038 0.223 2.114) 2.366 1.117 ( 0.320 2.362 -1.965) 3.089 1.198 ( -0.374 4.436 -2.025) 4.891 1.241 ( 1.279 3.603 0.418) 3.846 1.299 ( 2.009 3.410 1.408) 4.201 1.320 ( 1.849 1.083 1.128) 2.421 1.383 ( 1.581 0.716 1.363) 2.206 1.462 ( 0.297 0.663 -3.482) 3.557 1.525 ( 0.779 1.206 3.094) 3.411 1.603 ( 1.096 1.366 -0.884) 1.962 1.722 ( 1.983 1.221 -4.425) 5.000 1.793 ( 5.771 3.894 -3.323) 7.715 1.811 ( 5.219 -1.888 -6.913) 8.865 1.892 ( 1.916 10.722 2.656) 11.211 1.959 ( 1.465 2.016 0.635) 2.572 2.122 ( 0.417 6.883 0.155) 6.897 2.213 ( 3.881 1.070 1.090) 4.170 2.353 ( -0.641 0.885 4.059) 4.204 2.498 ( 0.761 -6.091 -0.783) 6.188 2.545 ( -0.994 -0.671 -1.447) 1.879 2.581 ( 3.622 -5.186 0.142) 6.327 2.750 ( -3.219 -6.583 6.795) 9.994 2.952 ( -0.686 -3.101 -2.955) 4.339 2.995 ( -3.607 -5.837 5.735) 8.942 3.071 ( -6.392 1.580 0.856) 6.640 3.154 ( -9.178 -0.678 -4.783) 10.372 3.248 ( -5.333 3.224 2.238) 6.621 3.335 ( -0.307 1.312 -1.760) 2.216 3.400 ( 2.562 0.205 -0.143) 2.574 3.611 ( 3.404 4.918 -1.295) 6.120 3.644 ( 3.662 -5.928 0.561) 6.991 3.841 ( -0.859 -0.255 1.751) 1.967 3.923 ( 2.023 -4.404 0.634) 4.888 4.198 ( -2.366 -1.326 -3.218) 4.209 4.259 ( -0.950 1.476 -3.853) 4.234 4.424 ( -4.516 -3.482 1.243) 5.836 4.596 ( 3.863 -7.234 1.686) 8.372 4.912 ( 0.462 -12.276 2.660) 12.570 4.976 ( -2.399 -10.727 -1.996) 11.171 7.807 ( 0.539 9.088 0.919) 9.150 7.858 ( 0.868 9.183 -0.535) 9.239 7.993 ( -1.945 5.234 2.730) 6.215 8.363 ( 3.495 -2.200 -8.890) 9.802 8.449 ( 1.666 -7.515 1.048) 7.769 8.487 ( 1.334 -7.844 -0.757) 7.993 8.665 ( -0.334 -0.061 0.129) 0.363 8.715 ( 1.057 -1.558 -0.672) 1.999 8.862 ( -3.756 1.879 8.530) 9.508 8.986 ( -0.683 1.209 1.614) 2.129 9.078 ( 0.089 -1.538 -0.465) 1.609 9.319 ( 2.546 -8.485 -3.922) 9.688 9.938 ( 1.516 4.899 2.095) 5.540 9.965 ( 1.568 2.481 -1.013) 3.105 9.974 ( 2.928 2.667 -0.414) 3.982 10.066 ( 3.112 2.884 -0.490) 4.271 10.295 ( -0.226 2.429 -0.045) 2.440 10.328 ( 1.362 1.701 -0.549) 2.247 10.518 ( -1.646 -0.799 0.494) 1.895 10.627 ( -4.769 -0.924 0.227) 4.863 10.697 ( 2.605 1.751 -0.577) 3.192 10.814 ( 3.688 1.434 0.111) 3.958 11.004 ( -5.242 -1.109 -0.578) 5.389 11.114 ( -4.391 -3.441 0.690) 5.621 11.203 ( 4.795 -3.408 -0.748) 5.930 11.300 ( -0.190 -3.329 -0.485) 3.370 11.369 ( 2.998 -2.292 1.939) 4.243 11.414 ( 3.144 -3.081 -0.732) 4.463 11.856 ( -0.337 0.650 1.292) 1.485 11.913 ( -1.732 0.756 -2.059) 2.794 12.036 ( -1.352 -3.591 1.834) 4.253 12.094 ( -1.769 -4.021 -1.160) 4.543 13.077 ( -1.554 3.471 2.325) 4.457 13.141 ( -3.136 2.225 -1.601) 4.165 13.370 ( -0.862 1.284 2.088) 2.598 13.427 ( -3.171 0.015 -2.672) 4.147 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 3.392 4.013 5.764) 7.799 0.923 ( 4.595 2.301 1.137) 5.263 0.965 ( 3.703 6.338 0.257) 7.345 1.095 ( -0.554 1.263 -1.598) 2.110 1.118 ( 1.306 0.713 1.606) 2.189 1.172 ( -0.259 5.520 -1.673) 5.773 1.259 ( 2.124 2.935 -2.442) 4.369 1.315 ( -1.246 -0.239 -0.945) 1.582 1.345 ( 1.127 1.571 1.613) 2.518 1.444 ( 1.414 2.308 -1.419) 3.056 1.476 ( 3.830 0.866 0.752) 3.998 1.549 ( -1.070 -0.028 4.966) 5.080 1.629 ( 1.304 0.764 0.170) 1.521 1.721 ( 2.883 -2.374 -3.520) 5.132 1.803 ( 0.241 2.063 -2.810) 3.494 1.865 ( 5.296 3.988 -5.708) 8.748 1.926 ( -0.342 2.544 0.622) 2.641 2.080 ( 8.369 5.526 2.803) 10.413 2.237 ( 9.516 5.587 -1.484) 11.134 2.305 ( 6.182 2.298 -0.210) 6.599 2.377 ( 0.752 2.483 4.473) 5.171 2.463 ( -0.191 0.568 -2.724) 2.789 2.563 ( 2.163 0.783 2.472) 3.377 2.637 ( 3.028 -4.216 -1.002) 5.287 2.780 ( -2.787 -4.446 1.002) 5.342 2.863 ( -13.439 6.751 -2.439) 15.236 2.894 ( -5.186 -7.017 0.315) 8.731 2.926 ( -3.754 -1.934 1.801) 4.591 2.975 ( -7.126 0.148 1.031) 7.202 3.207 ( -2.081 -0.606 3.973) 4.526 3.268 ( -4.112 -0.907 -2.097) 4.704 3.473 ( 4.836 -2.619 -0.511) 5.523 3.668 ( 3.210 7.254 -1.625) 8.097 3.751 ( 5.912 -5.046 0.893) 7.824 3.802 ( -2.114 -0.357 2.409) 3.225 3.950 ( -2.940 -2.410 -2.535) 4.569 4.128 ( -2.119 -3.023 -3.696) 5.224 4.217 ( 0.265 -2.770 0.653) 2.858 4.374 ( -2.630 -4.907 2.180) 5.979 4.670 ( 2.162 -4.113 2.018) 5.066 4.884 ( -3.668 -13.476 -2.678) 14.220 4.939 ( -0.711 -11.666 1.116) 11.741 7.827 ( 0.909 9.028 0.370) 9.081 7.873 ( 0.835 9.004 -0.018) 9.042 7.981 ( -2.102 5.315 2.872) 6.397 8.343 ( 3.285 -1.762 -8.726) 9.488 8.496 ( 2.468 -7.238 0.811) 7.690 8.514 ( 1.664 -7.825 0.023) 8.000 8.659 ( -0.483 0.140 0.099) 0.513 8.728 ( 1.149 -1.760 -0.816) 2.254 8.876 ( -2.870 2.213 7.818) 8.617 8.988 ( -0.685 1.026 1.639) 2.052 9.077 ( 0.254 -1.764 -0.438) 1.835 9.330 ( 2.490 -8.169 -3.920) 9.396 9.990 ( 2.452 5.184 1.765) 6.000 10.010 ( 4.161 3.216 -1.046) 5.362 10.055 ( 5.583 2.000 0.405) 5.945 10.134 ( 4.852 2.560 -0.714) 5.532 10.273 ( -1.352 1.407 0.027) 1.951 10.353 ( -0.433 3.021 0.170) 3.056 10.490 ( -1.280 -0.088 -1.457) 1.941 10.550 ( -3.656 -1.249 0.697) 3.926 10.705 ( -1.542 1.785 -0.409) 2.394 10.801 ( -3.112 3.454 0.013) 4.649 11.020 ( 3.914 -2.465 2.124) 5.090 11.071 ( 1.206 -4.876 -1.450) 5.228 11.231 ( -1.727 -3.571 -0.951) 4.079 11.288 ( 0.461 -4.918 -0.200) 4.943 11.452 ( 3.954 -1.481 2.025) 4.682 11.477 ( 3.782 -2.523 -0.533) 4.578 11.828 ( -2.224 1.404 -1.219) 2.899 11.880 ( -1.592 1.128 0.748) 2.089 12.014 ( -2.345 -3.282 0.638) 4.084 12.049 ( -2.327 -3.245 -0.315) 4.006 13.039 ( -3.900 2.219 0.224) 4.493 13.057 ( -4.072 1.940 -0.993) 4.619 13.347 ( -2.690 0.997 -1.591) 3.281 13.368 ( -1.901 0.499 2.165) 2.924 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 2.426 3.782 3.370) 5.617 0.972 ( 1.545 1.416 0.211) 2.106 1.041 ( 1.594 3.346 0.485) 3.737 1.085 ( 1.107 1.332 -0.289) 1.755 1.161 ( 2.165 -0.302 0.173) 2.193 1.167 ( 1.064 4.185 -0.604) 4.361 1.272 ( -0.070 0.731 -0.971) 1.217 1.282 ( 0.069 2.045 -1.439) 2.502 1.371 ( -0.226 2.619 1.938) 3.265 1.436 ( -0.455 3.827 -1.780) 4.246 1.531 ( 1.880 -1.612 -0.351) 2.501 1.562 ( -2.020 -1.381 4.104) 4.778 1.648 ( 0.707 0.756 0.314) 1.082 1.741 ( -1.448 0.916 -1.429) 2.232 1.849 ( 9.196 4.781 -2.883) 10.757 1.875 ( 1.286 -4.377 -0.973) 4.664 1.995 ( 7.868 11.730 -0.715) 14.143 2.200 ( 2.554 0.141 1.998) 3.246 2.257 ( -3.239 -4.588 1.537) 5.823 2.359 ( -2.127 -2.907 0.523) 3.640 2.447 ( -3.488 -0.823 -1.906) 4.059 2.522 ( 4.017 3.417 -0.399) 5.289 2.583 ( -7.331 5.867 0.423) 9.399 2.627 ( 1.637 1.062 0.066) 1.952 2.680 ( -1.975 -6.671 -1.261) 7.070 2.757 ( 7.120 4.853 0.497) 8.631 2.787 ( -2.215 0.921 -2.280) 3.309 2.881 ( -0.758 -0.818 -0.323) 1.161 3.062 ( 9.047 1.948 7.079) 11.652 3.173 ( -3.037 -3.265 -3.401) 5.608 3.213 ( -1.088 -0.544 3.026) 3.261 3.490 ( -4.901 2.133 -1.794) 5.638 3.687 ( -2.348 5.896 0.279) 6.353 3.739 ( -4.431 2.663 1.158) 5.298 3.803 ( -2.603 1.874 -5.550) 6.410 3.900 ( 3.930 -0.474 1.504) 4.234 4.077 ( 1.199 -7.819 -2.020) 8.165 4.256 ( 1.067 -8.171 0.466) 8.254 4.369 ( -1.035 -4.904 3.786) 6.281 4.693 ( -0.956 1.121 -0.578) 1.582 4.812 ( -1.222 -19.904 -0.596) 19.951 4.927 ( -1.166 -13.276 0.273) 13.330 7.844 ( 0.786 8.889 0.113) 8.925 7.882 ( 0.155 8.977 -0.041) 8.979 7.971 ( -1.951 5.380 3.088) 6.503 8.330 ( 4.007 -1.265 -8.628) 9.596 8.533 ( 0.575 -8.009 0.787) 8.068 8.552 ( 2.013 -7.121 0.792) 7.443 8.647 ( -0.923 0.366 0.237) 1.021 8.741 ( 1.034 -1.819 -0.955) 2.300 8.896 ( -2.441 2.308 6.954) 7.723 8.991 ( -0.721 0.856 1.870) 2.179 9.078 ( 0.348 -2.044 -0.518) 2.137 9.337 ( 2.169 -7.746 -3.923) 8.950 10.060 ( 3.831 3.890 -0.850) 5.526 10.075 ( 3.514 4.156 1.521) 5.651 10.178 ( 6.870 1.285 0.750) 7.029 10.213 ( 3.254 2.179 -1.087) 4.064 10.253 ( -0.997 2.041 0.897) 2.443 10.293 ( -4.057 5.197 -1.075) 6.680 10.436 ( -3.315 -0.803 -0.559) 3.456 10.519 ( -1.214 -0.589 0.545) 1.455 10.665 ( -1.835 1.701 -0.105) 2.505 10.760 ( -1.782 5.549 0.537) 5.853 11.065 ( 2.436 -5.993 -1.240) 6.587 11.155 ( 1.937 -5.208 2.344) 6.031 11.187 ( 1.003 -4.220 -0.625) 4.382 11.276 ( -1.326 -6.555 -0.296) 6.695 11.523 ( 2.128 -0.778 -1.403) 2.664 11.541 ( 3.461 -0.983 1.309) 3.828 11.771 ( -2.785 2.192 -0.750) 3.623 11.860 ( -1.411 1.238 0.945) 2.102 11.967 ( -2.359 -2.861 -0.900) 3.816 12.014 ( -1.474 -2.572 0.340) 2.984 12.974 ( -2.166 1.134 -0.497) 2.495 12.984 ( -3.361 0.857 0.110) 3.471 13.302 ( -1.078 1.970 -0.717) 2.358 13.345 ( -2.136 0.637 1.008) 2.447 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.382 3.614 2.847) 4.617 0.988 ( -0.090 0.700 0.626) 0.944 1.047 ( -0.742 1.152 -0.263) 1.395 1.113 ( 1.537 1.464 -0.567) 2.197 1.173 ( -1.266 -0.995 0.183) 1.620 1.196 ( 1.064 2.902 1.560) 3.463 1.243 ( -0.620 0.533 -1.257) 1.499 1.295 ( 0.261 1.621 0.932) 1.888 1.375 ( -0.222 2.762 0.918) 2.919 1.408 ( -1.589 2.561 -0.339) 3.033 1.474 ( -1.377 -2.302 -4.923) 5.607 1.644 ( -0.814 -0.579 -0.060) 1.001 1.664 ( 4.027 3.418 6.426) 8.319 1.701 ( -2.043 0.606 0.652) 2.229 1.826 ( 0.342 -2.255 -6.341) 6.739 2.004 ( 4.982 2.295 -4.252) 6.940 2.101 ( -2.694 9.856 1.672) 10.354 2.170 ( -3.618 11.112 -0.823) 11.715 2.265 ( 5.887 -1.445 0.715) 6.103 2.363 ( 3.611 -2.925 2.751) 5.400 2.404 ( -2.129 -2.900 5.260) 6.373 2.416 ( -5.175 0.096 1.450) 5.375 2.565 ( 4.267 -3.114 -1.726) 5.557 2.649 ( -2.085 -5.256 -0.769) 5.707 2.662 ( -1.253 -2.008 0.000) 2.367 2.754 ( -0.874 -2.601 -1.085) 2.951 2.821 ( 1.142 -3.053 1.235) 3.485 3.007 ( 4.854 10.217 0.394) 11.318 3.104 ( 0.705 -1.095 -3.997) 4.204 3.174 ( -11.952 5.233 -2.063) 13.210 3.232 ( -1.325 -2.319 3.290) 4.238 3.400 ( 8.785 7.354 2.249) 11.675 3.556 ( -3.353 6.592 -1.173) 7.488 3.688 ( -1.871 -0.797 -3.778) 4.291 3.811 ( 2.316 2.347 -0.977) 3.439 3.929 ( 0.759 1.966 -0.744) 2.235 4.137 ( 2.968 -7.278 2.721) 8.317 4.239 ( -2.025 -8.205 -1.973) 8.678 4.389 ( -1.044 -6.660 4.407) 8.054 4.644 ( -1.094 -3.188 -3.634) 4.956 4.831 ( 1.529 -16.856 2.328) 17.085 4.912 ( -0.411 -13.858 -0.341) 13.869 7.854 ( -0.079 8.818 0.290) 8.824 7.880 ( 0.055 8.923 -0.416) 8.933 7.966 ( -1.640 5.445 3.130) 6.491 8.331 ( 4.565 -1.048 -8.614) 9.804 8.543 ( -0.579 -7.736 1.751) 7.952 8.570 ( -0.879 -7.671 -0.081) 7.722 8.645 ( 0.327 0.667 1.112) 1.337 8.742 ( 0.209 -1.598 -1.479) 2.188 8.907 ( -3.066 2.027 6.533) 7.496 8.995 ( -0.944 0.754 2.225) 2.532 9.079 ( 0.267 -2.148 -0.631) 2.255 9.338 ( 1.896 -7.536 -3.981) 8.731 10.092 ( -1.690 3.869 -0.328) 4.234 10.132 ( 0.047 3.282 0.743) 3.365 10.195 ( 1.566 4.110 -0.977) 4.506 10.232 ( 0.244 2.868 0.015) 2.878 10.269 ( -0.785 2.359 0.238) 2.498 10.290 ( -0.085 1.821 -0.344) 1.855 10.405 ( 2.049 -0.038 1.914) 2.804 10.496 ( -0.997 0.505 -0.434) 1.198 10.649 ( 0.052 1.659 0.648) 1.782 10.737 ( -0.756 5.178 -1.183) 5.365 11.101 ( 2.050 -8.245 -0.023) 8.496 11.129 ( -2.312 -4.462 -0.259) 5.032 11.255 ( -0.049 -4.856 2.704) 5.558 11.270 ( 1.771 -6.428 0.667) 6.701 11.522 ( 0.275 0.006 -2.072) 2.091 11.563 ( -2.237 -1.491 -1.281) 2.978 11.754 ( 1.767 2.913 1.178) 3.605 11.832 ( -1.665 1.567 -1.050) 2.516 11.951 ( 1.246 -2.791 0.497) 3.097 11.993 ( -0.741 -2.562 -0.617) 2.738 12.953 ( -0.316 1.127 0.546) 1.291 12.965 ( 1.138 0.891 0.475) 1.521 13.294 ( 0.700 1.499 -0.208) 1.668 13.314 ( -1.336 0.887 -0.585) 1.707 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -5.857 5.869 4.805) 9.583 0.987 ( -1.511 1.357 -0.614) 2.122 0.994 ( -3.706 0.740 0.850) 3.874 1.102 ( -1.600 0.538 -1.915) 2.553 1.137 ( -1.461 -0.620 0.580) 1.690 1.201 ( -0.469 1.324 -0.912) 1.674 1.252 ( 0.686 3.169 2.025) 3.823 1.301 ( 1.513 -0.499 -2.109) 2.643 1.371 ( -1.525 0.221 0.064) 1.542 1.377 ( -1.257 2.978 -0.316) 3.248 1.478 ( 5.019 -3.406 -1.870) 6.348 1.611 ( -2.184 -0.294 -0.267) 2.220 1.662 ( -3.492 1.582 3.541) 5.219 1.743 ( -0.209 -0.566 -1.508) 1.624 1.853 ( 3.184 4.610 5.784) 8.053 1.977 ( -0.353 3.956 -5.729) 6.971 2.025 ( -1.837 4.788 -2.002) 5.505 2.077 ( -6.362 10.265 -0.471) 12.086 2.340 ( 3.051 -0.384 -3.440) 4.615 2.381 ( -2.795 0.352 5.586) 6.256 2.431 ( -2.305 -4.450 4.160) 6.513 2.534 ( -6.295 1.817 -0.415) 6.565 2.576 ( 9.419 -1.540 -1.367) 9.642 2.625 ( -3.552 1.218 -0.285) 3.766 2.666 ( 3.229 -0.669 -1.422) 3.591 2.695 ( -0.285 -4.228 -1.055) 4.367 2.832 ( -10.397 9.532 -3.254) 14.476 2.881 ( 0.569 0.639 2.570) 2.708 2.988 ( 1.524 2.064 -0.949) 2.736 3.151 ( 0.825 -4.266 3.925) 5.855 3.282 ( 1.638 -2.105 2.711) 3.803 3.497 ( 0.225 -1.604 -2.087) 2.642 3.598 ( 6.338 2.600 -4.269) 8.072 3.694 ( 3.363 5.245 -0.571) 6.256 3.779 ( -3.082 -1.684 -0.721) 3.585 3.986 ( 4.998 1.715 1.037) 5.385 4.144 ( -3.734 -7.221 -3.699) 8.931 4.210 ( 1.399 -4.394 2.863) 5.428 4.419 ( -0.155 -5.681 5.502) 7.910 4.605 ( 0.162 -5.294 -3.544) 6.372 4.887 ( 1.504 -14.028 1.060) 14.148 4.904 ( 0.837 -13.030 -0.435) 13.064 7.843 ( -1.225 8.582 0.100) 8.670 7.881 ( 0.134 9.271 -0.059) 9.273 7.969 ( -1.072 5.276 2.906) 6.118 8.338 ( 4.748 -1.275 -8.609) 9.914 8.532 ( -2.757 -7.184 -0.245) 7.698 8.545 ( -1.164 -7.680 2.098) 8.046 8.664 ( 0.231 -0.008 1.122) 1.145 8.724 ( -0.208 -1.059 -1.992) 2.265 8.902 ( -4.117 1.775 6.976) 8.293 8.995 ( -1.286 0.728 2.227) 2.673 9.077 ( 0.197 -2.026 -0.616) 2.127 9.334 ( 1.689 -7.696 -4.109) 8.886 10.009 ( -4.518 5.747 -0.464) 7.325 10.116 ( -4.171 2.544 0.911) 4.970 10.177 ( -5.933 1.451 0.307) 6.116 10.220 ( 0.766 0.210 -0.286) 0.845 10.242 ( -2.429 4.489 0.208) 5.108 10.302 ( 4.248 3.653 -0.630) 5.639 10.473 ( 2.000 -0.553 -0.009) 2.075 10.510 ( 1.907 -0.555 0.511) 2.051 10.670 ( 1.368 2.807 0.241) 3.132 10.737 ( 3.019 3.843 -0.182) 4.890 11.060 ( -4.594 -4.943 -1.063) 6.832 11.136 ( 0.341 -8.576 1.207) 8.667 11.247 ( -1.201 -1.719 0.772) 2.235 11.317 ( 1.301 -3.556 1.687) 4.146 11.456 ( -4.736 -0.836 -2.555) 5.446 11.524 ( -1.091 -3.200 -0.103) 3.383 11.803 ( 1.293 1.417 -0.636) 2.021 11.837 ( 3.665 2.132 0.946) 4.344 11.964 ( -0.062 -2.742 -0.869) 2.877 12.009 ( 2.856 -2.809 0.220) 4.012 12.970 ( 1.600 2.146 -0.215) 2.685 13.015 ( 3.596 0.975 0.452) 3.753 13.295 ( 0.340 1.332 -1.119) 1.772 13.332 ( 3.135 0.270 0.922) 3.279 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -12.055 10.631 4.693) 16.744 0.890 ( -6.070 6.526 1.405) 9.022 0.996 ( 0.375 -0.723 0.387) 0.902 1.062 ( -1.496 0.451 -0.686) 1.707 1.139 ( 1.035 -0.343 -0.488) 1.194 1.191 ( 0.180 1.131 -1.323) 1.749 1.268 ( -0.319 2.771 0.668) 2.869 1.323 ( 0.902 2.701 -0.798) 2.957 1.340 ( -1.706 2.270 -0.439) 2.874 1.349 ( -0.979 0.859 1.405) 1.915 1.504 ( -3.418 -2.261 0.759) 4.168 1.568 ( -1.342 0.682 -1.852) 2.387 1.664 ( -0.824 0.142 3.131) 3.241 1.736 ( 3.453 -1.406 -2.704) 4.606 1.854 ( -2.515 2.024 -4.726) 5.724 1.929 ( -4.259 8.525 -0.388) 9.537 1.945 ( -5.837 7.564 -0.438) 9.564 2.081 ( 3.158 5.044 7.638) 9.683 2.200 ( -11.574 3.508 -4.242) 12.816 2.293 ( -10.488 4.766 -0.810) 11.549 2.381 ( -0.927 -3.529 -0.236) 3.657 2.504 ( 2.770 4.620 5.786) 7.905 2.534 ( -2.653 -6.630 -4.361) 8.367 2.576 ( -2.342 -4.776 -0.243) 5.325 2.629 ( -4.770 -1.938 -1.329) 5.317 2.806 ( 6.742 -3.002 -0.228) 7.384 2.856 ( 12.317 6.518 -1.170) 13.984 3.001 ( 6.405 0.868 3.579) 7.388 3.063 ( 4.738 -3.078 -2.327) 6.110 3.223 ( 2.359 -2.937 6.411) 7.436 3.316 ( 2.002 1.768 -1.166) 2.915 3.458 ( -2.599 -1.615 -0.916) 3.194 3.595 ( -1.270 -4.050 -3.234) 5.336 3.696 ( -2.793 2.416 0.089) 3.694 3.792 ( 3.214 1.914 0.615) 3.792 3.975 ( -5.234 -8.990 -0.303) 10.407 4.152 ( 7.198 0.885 -3.709) 8.145 4.265 ( 1.945 -2.173 2.079) 3.581 4.481 ( 0.644 -1.628 5.542) 5.812 4.577 ( -0.547 -4.450 -1.759) 4.816 4.864 ( -1.265 -14.627 -2.086) 14.829 4.960 ( 2.862 -12.223 0.726) 12.575 7.819 ( -1.463 8.516 0.201) 8.643 7.878 ( -0.562 9.678 0.111) 9.695 7.980 ( -0.498 4.981 2.729) 5.701 8.348 ( 4.823 -1.845 -8.545) 9.984 8.475 ( -3.026 -7.380 -0.114) 7.977 8.537 ( -1.435 -7.684 1.203) 7.909 8.670 ( -0.337 0.019 0.639) 0.723 8.707 ( 0.132 -0.837 -1.525) 1.745 8.886 ( -4.871 1.705 7.765) 9.323 8.990 ( -1.303 0.859 1.917) 2.472 9.076 ( 0.305 -1.785 -0.492) 1.877 9.325 ( 1.493 -8.081 -4.181) 9.220 9.939 ( -3.050 5.738 0.060) 6.499 10.039 ( -4.077 3.149 -0.242) 5.157 10.074 ( -5.398 1.955 1.172) 5.860 10.138 ( -4.813 1.649 -0.488) 5.111 10.287 ( 1.097 1.713 0.346) 2.063 10.348 ( 2.052 2.926 0.036) 3.574 10.493 ( 0.732 -0.336 -1.244) 1.482 10.533 ( 1.697 -1.112 0.162) 2.035 10.705 ( 2.457 2.185 -0.326) 3.305 10.827 ( 3.477 2.784 0.533) 4.486 10.972 ( -2.112 -2.043 0.047) 2.939 11.111 ( -3.289 -5.626 0.734) 6.558 11.259 ( 1.960 -3.015 -0.568) 3.641 11.329 ( -0.886 -4.236 0.261) 4.336 11.364 ( -3.939 -0.526 -0.336) 3.988 11.484 ( -3.159 -3.252 0.488) 4.560 11.818 ( 0.821 0.701 -1.034) 1.495 11.918 ( 3.720 1.077 1.610) 4.194 11.966 ( 1.117 -2.995 -1.002) 3.350 12.067 ( 3.072 -3.175 0.218) 4.423 12.999 ( 2.047 2.668 -0.734) 3.442 13.088 ( 4.101 0.298 -0.327) 4.124 13.309 ( 1.857 2.781 -0.368) 3.364 13.413 ( 4.209 -0.296 1.188) 4.383 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -10.413 12.134 5.759) 16.995 0.818 ( -4.299 12.368 3.463) 13.544 1.007 ( 0.812 0.299 -1.352) 1.605 1.029 ( -1.539 -0.202 0.278) 1.577 1.144 ( -0.027 1.492 -1.198) 1.914 1.179 ( -0.943 2.786 0.133) 2.944 1.242 ( -2.964 5.370 0.472) 6.152 1.278 ( -2.675 3.434 0.069) 4.353 1.317 ( -1.565 3.773 1.426) 4.327 1.398 ( 2.720 4.104 0.999) 5.024 1.417 ( -4.897 -1.472 1.307) 5.278 1.534 ( -0.295 2.296 -2.341) 3.292 1.646 ( -2.550 2.576 1.128) 3.796 1.747 ( -2.055 4.298 -4.208) 6.357 1.790 ( 2.444 -0.218 -4.145) 4.817 1.834 ( -2.536 3.579 -4.275) 6.125 1.882 ( -1.269 4.085 1.165) 4.433 1.996 ( -5.023 5.179 -3.588) 8.058 2.150 ( -2.840 3.395 0.286) 4.435 2.236 ( -0.646 1.192 9.705) 9.799 2.370 ( 0.088 -9.741 -1.992) 9.943 2.398 ( -4.687 -5.873 -0.015) 7.514 2.523 ( -0.659 -5.665 -0.269) 5.710 2.558 ( -2.525 -6.562 -0.676) 7.063 2.684 ( 6.017 1.673 3.702) 7.260 2.923 ( 4.987 -3.026 1.980) 6.160 3.020 ( 3.588 2.339 0.430) 4.305 3.069 ( 2.976 -2.781 -3.729) 5.523 3.156 ( 4.750 -4.403 4.669) 7.984 3.310 ( 3.616 7.156 -2.901) 8.527 3.354 ( 1.364 5.119 0.251) 5.304 3.388 ( -2.236 -0.529 -0.274) 2.314 3.580 ( 0.715 -0.204 -0.241) 0.781 3.638 ( -2.386 -1.918 -0.638) 3.127 3.779 ( -3.243 -1.785 0.131) 3.704 3.954 ( 0.973 -4.632 1.156) 4.872 4.233 ( 5.110 -1.050 -3.153) 6.095 4.303 ( 1.034 0.610 -0.775) 1.429 4.495 ( -0.669 -6.676 -0.445) 6.724 4.566 ( -2.761 3.562 3.534) 5.727 4.836 ( 0.217 -17.715 -0.336) 17.719 5.005 ( 1.744 -11.679 -0.227) 11.811 7.799 ( -1.024 8.650 0.602) 8.731 7.865 ( -0.639 9.749 -0.234) 9.773 7.995 ( -0.730 4.964 2.722) 5.708 8.359 ( 4.867 -2.448 -8.467) 10.068 8.431 ( -1.701 -7.669 0.184) 7.857 8.515 ( -1.401 -7.520 -0.297) 7.655 8.669 ( -0.154 -0.129 0.335) 0.390 8.701 ( 0.249 -1.039 -0.736) 1.297 8.869 ( -5.014 1.674 8.452) 9.969 8.984 ( -1.008 1.165 1.681) 2.280 9.079 ( 0.395 -1.617 -0.443) 1.722 9.315 ( 1.575 -8.390 -4.116) 9.477 9.902 ( -1.215 5.150 0.470) 5.312 9.973 ( -2.818 2.711 -0.183) 3.914 10.014 ( -2.346 2.485 0.601) 3.470 10.061 ( -2.980 2.319 -0.564) 3.818 10.273 ( -1.123 1.119 -0.358) 1.625 10.377 ( -0.175 4.353 0.242) 4.363 10.500 ( 1.378 -3.155 0.282) 3.454 10.586 ( 3.918 0.037 -0.844) 4.008 10.730 ( -0.156 1.781 0.307) 1.813 10.793 ( -4.071 1.468 -0.431) 4.349 11.034 ( 4.078 -1.399 0.303) 4.322 11.092 ( 3.037 -1.264 -0.229) 3.298 11.276 ( -1.070 -5.759 -0.171) 5.860 11.286 ( -5.408 -2.202 1.623) 6.060 11.305 ( -0.261 -3.357 -1.096) 3.541 11.439 ( -2.096 -2.727 0.315) 3.454 11.817 ( 0.177 1.364 -0.224) 1.393 11.972 ( 1.130 -1.622 -1.746) 2.637 11.994 ( 2.072 -1.899 2.021) 3.462 12.114 ( 1.836 -3.826 -0.243) 4.251 13.031 ( 1.679 3.170 0.335) 3.603 13.151 ( 2.969 -0.313 -0.274) 2.998 13.343 ( 1.638 4.129 0.036) 4.443 13.482 ( 2.457 -0.268 -0.147) 2.476 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -1.246 10.307 -0.817) 10.414 0.913 ( 0.358 -0.545 -3.370) 3.433 1.025 ( -1.390 2.229 3.597) 4.454 1.087 ( -0.737 3.630 1.127) 3.872 1.120 ( -1.010 -1.833 2.181) 3.023 1.197 ( 0.469 -4.476 0.057) 4.501 1.280 ( -1.018 3.437 -1.404) 3.850 1.326 ( -0.283 2.936 1.261) 3.208 1.342 ( -1.240 -1.477 -1.049) 2.195 1.360 ( -0.531 0.040 1.748) 1.827 1.513 ( 0.050 4.017 -2.133) 4.548 1.577 ( 0.871 -0.623 -3.712) 3.863 1.710 ( -2.456 3.908 -0.197) 4.620 1.734 ( 3.764 -0.717 -2.318) 4.479 1.753 ( 3.987 5.187 -6.460) 9.194 1.826 ( 2.326 5.294 -5.183) 7.765 1.943 ( -1.760 -4.409 1.362) 4.939 1.983 ( 0.638 -4.535 -0.036) 4.580 2.184 ( -3.391 -0.093 2.833) 4.419 2.204 ( 0.846 1.684 2.144) 2.855 2.252 ( -1.194 -3.800 6.713) 7.806 2.321 ( 4.032 -6.009 6.480) 9.713 2.485 ( 0.766 8.625 0.606) 8.680 2.587 ( 0.164 12.206 1.176) 12.263 2.748 ( 0.618 -12.236 2.089) 12.428 2.796 ( -0.867 -2.386 0.323) 2.559 2.914 ( -1.048 -3.406 -0.984) 3.697 2.979 ( -2.698 -10.441 1.976) 10.964 3.283 ( 1.454 6.152 -1.001) 6.401 3.334 ( -0.217 3.658 -2.025) 4.187 3.410 ( -2.116 -3.372 -4.375) 5.915 3.463 ( 1.554 -4.938 -1.538) 5.400 3.719 ( 0.808 16.336 1.685) 16.443 3.780 ( 0.614 14.932 -0.145) 14.945 3.822 ( -1.204 7.324 1.431) 7.559 3.869 ( -0.068 -3.673 1.608) 4.010 4.142 ( 1.195 -14.070 -0.373) 14.125 4.182 ( -0.419 -18.689 -0.103) 18.694 4.340 ( 0.716 2.103 -3.674) 4.293 4.430 ( -3.687 -7.210 -6.562) 10.423 4.732 ( 1.527 2.554 5.306) 6.084 4.833 ( 0.350 -6.565 1.155) 6.675 8.003 ( 0.098 11.006 0.828) 11.037 8.071 ( -0.168 10.909 -0.986) 10.954 8.124 ( -0.614 6.842 1.495) 7.030 8.234 ( 0.199 -10.158 0.939) 10.203 8.266 ( 1.383 -6.724 -1.799) 7.096 8.303 ( -0.720 -10.229 -0.906) 10.294 8.668 ( 0.007 0.247 -0.127) 0.278 8.680 ( 0.348 -0.918 -0.433) 1.073 8.951 ( -0.929 6.679 1.728) 6.962 9.012 ( -0.307 1.283 0.696) 1.492 9.048 ( -0.065 -1.364 0.267) 1.392 9.129 ( 0.898 -8.829 -1.851) 9.066 9.972 ( 0.571 1.938 -0.622) 2.114 9.986 ( -0.172 0.928 -0.616) 1.127 10.039 ( -0.697 2.612 0.713) 2.796 10.066 ( -0.074 0.023 0.723) 0.727 10.320 ( 0.618 3.531 1.250) 3.796 10.403 ( -1.303 -2.641 -0.266) 2.957 10.490 ( 0.898 3.542 0.346) 3.671 10.595 ( 1.122 -4.861 -1.767) 5.293 10.791 ( -1.307 7.031 0.899) 7.207 10.845 ( 0.367 6.767 -0.635) 6.807 10.956 ( 0.899 -8.338 0.201) 8.389 11.018 ( -2.201 -9.506 -1.532) 9.877 11.197 ( 2.039 2.289 1.038) 3.237 11.243 ( -1.095 -0.716 -0.628) 1.451 11.286 ( 1.030 1.279 1.174) 2.018 11.346 ( -0.795 -3.243 -0.634) 3.399 11.869 ( 0.330 2.150 1.105) 2.440 11.919 ( 0.019 -2.577 0.287) 2.593 12.005 ( -0.207 0.588 -0.413) 0.748 12.045 ( -0.208 -3.099 -0.947) 3.247 13.132 ( 0.715 2.833 1.881) 3.474 13.174 ( 0.645 -1.163 1.279) 1.846 13.429 ( -0.442 2.835 -1.022) 3.046 13.473 ( -0.748 -1.402 -1.691) 2.320 ======================= Grid point 88 (46/84) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 3.041 7.247 -1.196) 7.950 0.905 ( 1.950 -1.295 -2.896) 3.724 1.032 ( -0.350 5.024 3.020) 5.872 1.104 ( 0.256 0.153 1.979) 2.002 1.118 ( -0.366 1.037 1.132) 1.578 1.217 ( 0.228 -5.306 2.069) 5.700 1.258 ( 0.622 0.947 -1.552) 1.922 1.298 ( -1.096 -1.562 -2.165) 2.886 1.352 ( 1.329 2.408 0.736) 2.848 1.385 ( 1.322 -0.719 0.818) 1.713 1.515 ( 2.129 4.188 -0.428) 4.717 1.574 ( 1.923 -0.623 -1.622) 2.592 1.657 ( -2.363 5.153 -0.651) 5.707 1.718 ( -0.581 -0.877 -3.008) 3.187 1.814 ( 6.057 3.059 -5.957) 9.029 1.880 ( 5.107 1.784 -4.647) 7.132 1.951 ( 2.394 1.662 2.257) 3.686 2.053 ( 4.760 -0.840 1.338) 5.015 2.177 ( 0.942 -1.164 2.149) 2.619 2.227 ( 1.223 -4.506 1.158) 4.811 2.356 ( 5.235 4.345 5.284) 8.614 2.448 ( 5.310 -2.302 2.031) 6.133 2.558 ( 4.291 6.719 2.605) 8.387 2.626 ( 2.759 7.272 -1.565) 7.934 2.692 ( -8.651 1.335 2.211) 9.028 2.787 ( -2.259 -9.667 0.887) 9.967 2.858 ( -2.406 -5.291 -0.271) 5.818 2.942 ( -1.808 -10.868 1.232) 11.086 3.258 ( -7.211 7.831 1.361) 10.732 3.300 ( -2.451 1.922 -1.982) 3.692 3.350 ( 2.749 -0.495 -3.254) 4.289 3.463 ( 2.161 -7.163 -0.819) 7.527 3.634 ( -8.521 15.053 0.406) 17.302 3.787 ( 0.392 5.266 1.584) 5.513 3.855 ( 1.304 6.667 2.155) 7.127 3.892 ( 0.216 2.824 -0.213) 2.840 4.103 ( -2.623 -10.910 -2.602) 11.518 4.175 ( -1.544 -16.953 0.102) 17.023 4.295 ( -2.176 1.065 -4.727) 5.312 4.381 ( 2.658 -9.219 -0.867) 9.634 4.787 ( -0.027 -0.159 3.037) 3.041 4.832 ( -1.408 -3.943 0.194) 4.192 8.016 ( 0.263 10.623 0.970) 10.671 8.067 ( 0.739 10.568 -0.969) 10.638 8.113 ( -1.817 5.528 1.550) 6.022 8.263 ( 1.122 -7.638 -2.272) 8.047 8.276 ( 2.244 -7.976 0.519) 8.301 8.303 ( 1.421 -9.216 -0.186) 9.327 8.668 ( 0.127 0.446 -0.139) 0.484 8.685 ( 0.601 -1.208 -0.450) 1.422 8.956 ( -0.193 6.759 1.680) 6.967 9.012 ( -0.370 1.195 0.665) 1.417 9.047 ( -0.289 -1.224 0.275) 1.287 9.135 ( 1.552 -8.966 -1.803) 9.276 10.000 ( 3.044 1.515 -0.721) 3.475 10.005 ( 2.852 1.076 -0.317) 3.065 10.051 ( 1.129 3.426 0.936) 3.726 10.091 ( 2.171 -0.507 0.458) 2.277 10.352 ( 0.941 2.388 1.731) 3.096 10.369 ( -1.240 1.594 -0.866) 2.197 10.507 ( 0.402 0.797 0.222) 0.920 10.571 ( -1.761 -3.985 -1.804) 4.715 10.789 ( -0.036 6.701 0.615) 6.729 10.865 ( 1.940 3.596 -0.240) 4.093 10.940 ( -2.937 -5.638 -1.086) 6.450 10.968 ( -1.303 -7.415 0.914) 7.584 11.205 ( -0.137 1.547 -1.409) 2.097 11.243 ( -0.271 -2.136 -0.222) 2.165 11.340 ( 3.438 -0.156 1.342) 3.694 11.361 ( 3.171 -1.994 0.161) 3.750 11.880 ( -0.465 1.668 1.107) 2.055 11.915 ( -0.580 -1.058 -0.195) 1.222 11.988 ( -1.408 -0.319 0.207) 1.458 12.021 ( -1.368 -2.929 -1.036) 3.395 13.138 ( -2.270 2.313 1.777) 3.696 13.164 ( -2.882 -0.076 0.336) 2.902 13.398 ( -1.846 1.347 -0.067) 2.286 13.420 ( -2.720 -0.707 -1.753) 3.312 ======================= Grid point 89 (47/84) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 4.222 3.926 -0.638) 5.801 0.930 ( 2.800 -1.339 -1.402) 3.406 1.070 ( 1.256 3.270 2.367) 4.228 1.103 ( -0.192 -0.332 -0.121) 0.402 1.145 ( 0.907 2.527 1.361) 3.011 1.221 ( -0.398 -2.183 -0.199) 2.228 1.271 ( 1.282 -0.356 -0.813) 1.559 1.301 ( 1.100 -2.276 2.520) 3.569 1.372 ( 0.870 2.713 -0.264) 2.861 1.416 ( 1.579 -2.016 0.385) 2.590 1.560 ( 2.028 4.753 -2.620) 5.794 1.616 ( 2.480 2.736 2.892) 4.691 1.631 ( -0.695 0.713 0.943) 1.371 1.685 ( 1.496 -1.458 -3.374) 3.969 1.844 ( 2.647 2.155 -4.129) 5.357 1.876 ( -1.728 -0.752 -1.158) 2.212 2.056 ( 6.839 7.469 -0.639) 10.147 2.131 ( 2.706 0.923 0.888) 2.994 2.243 ( 1.426 -2.656 -1.003) 3.177 2.274 ( 3.470 -5.852 -0.620) 6.831 2.455 ( -4.825 4.225 1.898) 6.688 2.512 ( 5.374 3.580 0.415) 6.471 2.567 ( 3.722 -1.619 -0.083) 4.060 2.614 ( -9.038 -10.564 -2.786) 14.179 2.669 ( 4.461 6.050 0.690) 7.549 2.771 ( 4.155 -1.892 3.993) 6.065 2.847 ( -2.507 -0.852 1.585) 3.086 2.941 ( 0.051 -5.761 0.467) 5.780 3.109 ( -7.650 11.112 -0.073) 13.491 3.197 ( -5.795 1.012 0.308) 5.891 3.423 ( 6.561 1.629 -2.510) 7.211 3.507 ( -4.906 17.712 2.089) 18.497 3.567 ( 7.933 -9.941 2.155) 12.900 3.822 ( 0.277 -4.280 1.003) 4.405 3.864 ( 1.700 11.081 -1.569) 11.320 3.888 ( -1.193 0.172 1.323) 1.790 4.034 ( -2.508 -8.887 -4.019) 10.071 4.108 ( -3.584 -10.205 -1.695) 10.948 4.248 ( -2.562 0.240 1.543) 3.000 4.408 ( -0.480 -15.115 1.184) 15.169 4.772 ( -2.921 -0.392 -0.620) 3.011 4.795 ( -2.328 -2.821 0.192) 3.663 8.027 ( 0.305 9.537 0.397) 9.550 8.077 ( 0.679 10.206 -0.435) 10.237 8.095 ( -1.556 4.622 1.794) 5.197 8.257 ( 1.587 -6.463 -3.329) 7.442 8.332 ( 2.182 -7.368 0.371) 7.694 8.336 ( 2.207 -8.333 0.850) 8.662 8.668 ( 0.008 0.796 -0.103) 0.803 8.693 ( 0.682 -1.528 -0.454) 1.733 8.972 ( 0.322 6.587 1.450) 6.752 9.011 ( -0.343 1.207 0.708) 1.441 9.044 ( -0.327 -1.147 0.276) 1.224 9.150 ( 1.756 -8.922 -1.720) 9.254 10.066 ( 4.579 1.987 -0.493) 5.016 10.078 ( 5.177 1.588 -0.072) 5.415 10.092 ( 2.334 2.852 1.326) 3.917 10.147 ( 3.482 -1.458 0.121) 3.777 10.334 ( -0.957 4.143 -0.524) 4.284 10.391 ( 0.873 -0.271 1.199) 1.507 10.495 ( -1.832 0.637 -1.845) 2.677 10.518 ( -1.555 -1.577 -0.761) 2.342 10.776 ( -2.344 5.528 0.229) 6.009 10.871 ( 0.456 2.683 0.393) 2.750 10.932 ( -2.832 -6.889 0.548) 7.468 10.958 ( 3.308 -3.786 1.720) 5.313 11.185 ( -1.138 -0.488 -2.296) 2.609 11.209 ( -1.675 -2.620 -1.589) 3.493 11.429 ( 4.620 -0.418 1.406) 4.848 11.438 ( 4.411 -1.230 0.784) 4.646 11.865 ( -1.523 2.135 -0.349) 2.645 11.898 ( -1.138 -0.102 0.014) 1.143 11.960 ( -2.055 -1.081 0.452) 2.366 11.985 ( -1.832 -2.664 -0.051) 3.233 13.076 ( -4.866 1.211 -0.483) 5.037 13.084 ( -4.950 0.502 -0.933) 5.062 13.365 ( -2.040 0.709 -0.032) 2.160 13.373 ( -1.809 -0.043 1.263) 2.207 ======================= Grid point 90 (48/84) ======================= q-point: ( 0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 3.172 1.968 -0.075) 3.734 0.970 ( 1.943 -0.999 -0.027) 2.185 1.090 ( -0.087 1.416 -0.891) 1.675 1.106 ( 1.063 0.080 -0.991) 1.456 1.173 ( 1.584 2.023 0.033) 2.569 1.216 ( 0.399 -0.802 -0.468) 1.011 1.286 ( 0.019 2.105 0.917) 2.297 1.332 ( 0.401 -0.700 0.787) 1.127 1.391 ( 0.874 1.084 0.099) 1.396 1.433 ( 0.237 -2.480 -2.115) 3.268 1.564 ( 0.952 3.304 -2.422) 4.206 1.603 ( -1.206 1.641 0.684) 2.149 1.670 ( 1.351 3.974 2.479) 4.874 1.743 ( 3.897 -0.957 -2.983) 5.000 1.818 ( -3.189 0.560 -0.877) 3.354 1.897 ( 5.927 -1.626 4.384) 7.549 2.126 ( -4.071 -3.128 -1.503) 5.350 2.158 ( -2.022 -1.694 1.985) 3.301 2.208 ( 5.800 5.294 -1.483) 7.992 2.324 ( 4.008 -3.156 0.240) 5.107 2.421 ( -2.124 0.819 -0.410) 2.313 2.516 ( 0.400 -7.105 -0.987) 7.184 2.566 ( -2.486 1.765 0.850) 3.166 2.612 ( -0.418 -1.697 -0.456) 1.806 2.681 ( -2.878 2.178 0.137) 3.612 2.732 ( -4.152 -3.503 0.115) 5.434 2.840 ( -6.403 5.430 5.072) 9.809 2.962 ( 1.506 -4.641 1.512) 5.108 3.090 ( 4.903 7.222 -2.731) 9.147 3.179 ( 5.671 0.804 1.462) 5.911 3.455 ( 1.354 19.819 -2.923) 20.079 3.573 ( 7.698 8.981 1.030) 11.874 3.747 ( 7.462 -8.630 -1.837) 11.556 3.809 ( -1.236 2.582 1.055) 3.051 3.838 ( -5.039 2.961 0.136) 5.846 3.883 ( 2.368 1.309 -4.125) 4.933 3.957 ( -1.895 -4.898 -1.593) 5.488 4.058 ( -1.285 -8.029 2.061) 8.389 4.202 ( -5.391 -5.957 3.239) 8.662 4.377 ( -3.525 -19.937 0.332) 20.249 4.712 ( -2.089 0.875 -0.461) 2.311 4.750 ( -2.322 -3.814 -0.038) 4.466 8.035 ( 0.313 8.251 0.035) 8.257 8.068 ( -0.922 6.154 -0.141) 6.224 8.100 ( -0.162 8.426 1.737) 8.605 8.263 ( 2.165 -5.263 -3.086) 6.474 8.359 ( 0.698 -7.258 0.530) 7.311 8.383 ( 1.662 -8.003 0.426) 8.185 8.667 ( -0.128 1.365 0.115) 1.376 8.701 ( 0.588 -1.907 -0.358) 2.027 8.987 ( 0.046 5.404 0.741) 5.455 9.015 ( -0.107 2.009 1.187) 2.336 9.041 ( -0.295 -1.117 0.287) 1.190 9.164 ( 1.447 -8.645 -1.645) 8.918 10.132 ( 2.619 2.780 -0.145) 3.822 10.148 ( 2.153 2.281 1.614) 3.528 10.186 ( 5.863 -0.020 -0.069) 5.863 10.211 ( 3.337 -1.460 0.140) 3.645 10.327 ( 0.332 4.211 -0.289) 4.234 10.397 ( -1.211 -1.535 0.676) 2.069 10.427 ( -2.361 4.623 -2.361) 5.702 10.498 ( -0.356 -1.803 -0.698) 1.966 10.733 ( -2.395 5.542 0.909) 6.105 10.890 ( -0.844 2.777 0.431) 2.934 10.897 ( -0.172 -4.971 0.337) 4.986 11.043 ( 3.458 -7.054 1.589) 8.015 11.128 ( -2.238 -0.359 -1.303) 2.615 11.163 ( -1.799 -3.704 -0.242) 4.125 11.513 ( 3.330 -0.112 -0.392) 3.355 11.521 ( 3.496 -0.846 0.408) 3.620 11.827 ( -1.739 3.059 -0.625) 3.574 11.880 ( -0.590 -0.728 0.270) 0.975 11.917 ( -2.657 -0.346 -0.391) 2.708 11.957 ( -1.499 -2.764 0.351) 3.164 12.993 ( -2.978 0.602 -0.370) 3.060 12.996 ( -3.400 0.263 -0.292) 3.423 13.337 ( -1.240 1.271 -0.012) 1.776 13.352 ( -1.628 -0.148 0.563) 1.729 ======================= Grid point 91 (49/84) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.760 0.888 0.669) 1.347 0.990 ( 0.060 -0.389 0.468) 0.611 1.074 ( 0.407 1.495 -2.513) 2.952 1.107 ( 0.846 -1.547 -2.675) 3.204 1.193 ( 0.316 2.051 -0.079) 2.077 1.221 ( 0.364 -0.427 -0.727) 0.918 1.296 ( 1.545 3.691 -0.863) 4.094 1.336 ( -1.252 1.694 1.492) 2.582 1.383 ( -1.156 -1.594 -0.500) 2.031 1.396 ( -0.129 -2.692 -4.681) 5.401 1.512 ( -3.442 5.441 0.499) 6.458 1.609 ( -0.947 -3.197 0.335) 3.351 1.697 ( 0.534 0.895 -2.530) 2.737 1.745 ( -1.340 -3.294 -3.787) 5.195 1.836 ( 4.584 10.453 7.716) 13.777 2.027 ( -2.538 0.752 -0.737) 2.747 2.106 ( 7.077 -10.124 7.478) 14.439 2.133 ( -1.318 -4.165 4.177) 6.044 2.332 ( -1.021 3.577 -1.354) 3.959 2.344 ( -0.403 0.045 -0.800) 0.896 2.432 ( 5.715 3.435 -0.170) 6.670 2.482 ( -2.563 -0.418 0.171) 2.603 2.516 ( 1.292 0.358 0.357) 1.388 2.556 ( -2.892 -4.471 -1.797) 5.620 2.642 ( -1.568 2.862 -0.164) 3.267 2.701 ( -1.232 -2.190 -0.714) 2.612 2.796 ( -1.191 3.773 3.818) 5.498 2.963 ( -1.854 -9.570 3.255) 10.277 3.194 ( 5.726 4.904 -0.485) 7.555 3.263 ( -0.700 -0.721 0.382) 1.075 3.444 ( -0.714 20.935 -4.821) 21.494 3.596 ( -7.855 6.135 -7.668) 12.576 3.733 ( 6.092 11.986 0.848) 13.472 3.765 ( -2.086 8.204 1.123) 8.539 3.816 ( -4.254 -0.958 -2.739) 5.149 3.934 ( 5.557 -3.120 -2.325) 6.784 4.018 ( 7.940 -3.825 3.164) 9.364 4.076 ( -3.523 -3.735 0.820) 5.199 4.109 ( -3.678 -17.979 4.250) 18.837 4.314 ( -1.353 -22.033 -2.145) 22.178 4.705 ( 0.770 -0.181 1.176) 1.417 4.731 ( 0.116 -3.527 0.448) 3.557 8.038 ( -0.192 7.370 0.058) 7.373 8.052 ( -0.314 5.607 -0.361) 5.627 8.111 ( -0.441 9.358 1.758) 9.532 8.275 ( 1.976 -4.338 -2.942) 5.602 8.368 ( -0.426 -7.596 0.959) 7.668 8.396 ( -0.456 -8.106 -0.181) 8.121 8.669 ( 0.084 1.525 0.475) 1.600 8.705 ( 0.155 -1.888 -0.399) 1.936 8.987 ( -0.479 4.194 0.408) 4.241 9.024 ( -0.344 2.584 1.293) 2.910 9.039 ( -0.296 -0.858 0.419) 1.000 9.170 ( 0.822 -8.378 -1.625) 8.573 10.158 ( -0.566 2.223 0.750) 2.413 10.175 ( -0.462 0.704 1.387) 1.623 10.241 ( -0.621 1.311 -0.534) 1.546 10.256 ( 0.674 -0.087 -0.313) 0.748 10.330 ( 0.460 2.239 -0.145) 2.290 10.360 ( -0.811 1.120 -1.069) 1.748 10.420 ( 2.146 3.736 0.402) 4.327 10.489 ( 0.006 -1.614 -1.115) 1.961 10.718 ( -0.097 5.878 1.798) 6.147 10.868 ( -1.641 6.884 -2.343) 7.454 10.896 ( 0.602 -9.939 1.336) 10.047 11.023 ( -2.707 -6.881 -3.044) 7.996 11.170 ( 3.444 -2.117 3.862) 5.591 11.178 ( 1.403 -2.431 3.350) 4.370 11.523 ( -0.903 0.188 -2.358) 2.532 11.535 ( -1.589 -1.065 -1.950) 2.732 11.819 ( 1.163 3.292 0.696) 3.560 11.870 ( -1.493 1.154 -0.791) 2.046 11.893 ( 1.499 -1.870 0.572) 2.464 11.935 ( -0.739 -2.979 -0.615) 3.131 12.972 ( 0.410 0.660 0.873) 1.169 12.977 ( 0.912 0.213 0.857) 1.270 13.319 ( -0.207 0.854 -0.646) 1.090 13.326 ( -0.877 0.182 -0.747) 1.167 ======================= Grid point 92 (50/84) ======================= q-point: (-0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -1.107 0.634 1.048) 1.651 0.988 ( -0.506 -0.169 0.470) 0.711 1.065 ( -0.037 2.331 -1.287) 2.663 1.095 ( 0.255 -1.061 -1.927) 2.215 1.168 ( -3.106 3.341 0.083) 4.563 1.213 ( -0.123 -0.564 -0.995) 1.151 1.304 ( -1.681 2.022 0.425) 2.664 1.332 ( 2.990 2.878 -1.179) 4.314 1.360 ( -1.940 -1.540 1.953) 3.154 1.395 ( 3.268 -3.547 -1.883) 5.178 1.465 ( -2.113 5.464 -0.461) 5.877 1.578 ( -1.936 -3.909 -0.332) 4.375 1.668 ( -1.481 0.346 -1.250) 1.969 1.702 ( -0.204 -2.535 -2.458) 3.536 1.945 ( -0.962 4.517 4.562) 6.491 2.016 ( 1.176 -0.567 1.683) 2.130 2.146 ( -4.182 6.256 0.554) 7.545 2.185 ( -0.859 1.654 1.178) 2.205 2.308 ( 0.337 -3.003 1.474) 3.363 2.317 ( -1.803 -3.407 0.369) 3.872 2.403 ( -3.919 -2.845 -0.566) 4.876 2.501 ( 2.436 -7.626 -2.401) 8.358 2.532 ( -2.615 6.721 0.653) 7.241 2.628 ( 1.096 -2.189 0.952) 2.626 2.649 ( 7.863 2.077 -0.220) 8.135 2.668 ( 1.951 -0.227 -1.776) 2.649 2.854 ( 1.987 0.533 3.823) 4.342 2.962 ( -1.652 -7.977 1.967) 8.380 3.146 ( -9.621 15.407 1.410) 18.219 3.286 ( 1.709 0.986 4.000) 4.460 3.334 ( -0.519 15.592 -4.861) 16.340 3.456 ( -2.649 -1.321 -5.172) 5.959 3.600 ( -8.403 0.213 -4.531) 9.549 3.808 ( 2.533 4.943 0.630) 5.589 3.846 ( 0.479 -1.808 0.489) 1.933 3.898 ( -5.652 1.269 -1.140) 5.904 4.068 ( 5.462 -3.730 -3.517) 7.491 4.133 ( 1.680 -4.237 2.535) 5.216 4.194 ( 5.268 -8.985 6.383) 12.216 4.329 ( 4.658 -17.232 -1.455) 17.909 4.738 ( 0.844 -1.642 -0.062) 1.847 4.749 ( 1.864 -2.618 0.141) 3.216 8.025 ( -0.847 7.769 -0.161) 7.817 8.056 ( 0.667 5.159 0.040) 5.202 8.114 ( -0.829 9.874 1.535) 10.027 8.278 ( 1.354 -4.112 -3.124) 5.338 8.363 ( -1.224 -8.796 1.472) 9.002 8.366 ( -2.367 -7.621 -0.352) 7.988 8.675 ( -0.004 0.954 0.473) 1.065 8.699 ( -0.213 -1.302 -0.610) 1.454 8.980 ( -0.875 4.466 0.717) 4.607 9.023 ( -0.849 2.127 1.073) 2.529 9.038 ( -0.200 -0.767 0.448) 0.910 9.165 ( 0.231 -8.355 -1.678) 8.525 10.116 ( -3.704 4.108 0.143) 5.533 10.156 ( -3.355 0.643 0.998) 3.559 10.197 ( -5.129 0.406 0.484) 5.167 10.208 ( -2.611 -0.921 -0.131) 2.772 10.334 ( -0.063 3.957 0.128) 3.959 10.371 ( 1.429 1.525 -0.943) 2.292 10.463 ( 2.299 0.169 -0.388) 2.338 10.489 ( 1.256 -1.540 -1.294) 2.371 10.761 ( 1.862 6.418 2.320) 7.074 10.833 ( 0.880 5.503 -1.669) 5.818 10.925 ( 0.612 -8.551 1.726) 8.745 10.961 ( -1.490 -7.168 -1.315) 7.439 11.226 ( 0.619 -0.070 1.507) 1.631 11.250 ( 1.434 -2.447 2.231) 3.609 11.449 ( -4.068 0.287 -2.101) 4.588 11.471 ( -2.701 -1.858 -1.181) 3.485 11.843 ( 0.425 2.355 -0.486) 2.441 11.877 ( 2.215 0.939 0.536) 2.465 11.912 ( 0.761 -1.291 -0.699) 1.654 11.948 ( 2.692 -2.910 0.241) 3.971 13.008 ( 2.463 1.438 0.046) 2.852 13.025 ( 3.206 -0.125 0.266) 3.220 13.319 ( 1.192 0.975 -0.483) 1.614 13.332 ( 2.182 -0.269 0.228) 2.211 ======================= Grid point 93 (51/84) ======================= q-point: (-0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -1.185 1.365 -0.157) 1.815 0.979 ( -0.986 0.585 -1.976) 2.285 1.018 ( -5.402 7.249 4.554) 10.122 1.085 ( 0.075 0.881 -0.520) 1.026 1.132 ( -0.875 0.780 0.629) 1.330 1.200 ( -0.358 -2.123 -0.636) 2.245 1.298 ( -0.289 1.805 1.073) 2.119 1.343 ( -1.135 -1.376 2.134) 2.782 1.384 ( 0.560 2.002 0.783) 2.221 1.429 ( -0.753 2.763 -0.297) 2.879 1.439 ( 1.717 0.856 0.352) 1.951 1.563 ( 1.910 -3.385 -1.792) 4.280 1.641 ( 0.566 -0.193 -1.489) 1.605 1.683 ( 1.113 -2.810 -3.516) 4.637 1.922 ( -2.907 5.126 -1.063) 5.988 2.038 ( -2.530 -3.855 2.123) 5.076 2.065 ( -5.065 6.624 -0.478) 8.352 2.115 ( -3.480 5.197 1.397) 6.409 2.215 ( -8.035 -4.863 -3.426) 9.998 2.274 ( -3.795 -9.562 0.476) 10.298 2.341 ( -4.948 3.030 -0.845) 5.863 2.423 ( -6.237 -3.517 -3.707) 8.063 2.573 ( 5.251 6.384 3.268) 8.888 2.636 ( -5.286 7.474 -0.421) 9.164 2.682 ( 1.512 0.055 -0.692) 1.664 2.747 ( 1.799 -1.309 1.843) 2.889 2.907 ( -1.271 -6.643 3.973) 7.844 2.932 ( 0.357 -6.195 0.341) 6.215 3.104 ( 4.911 15.420 0.735) 16.200 3.338 ( 0.855 0.838 5.471) 5.600 3.366 ( 1.864 -0.046 -5.554) 5.859 3.404 ( 3.434 0.480 -2.437) 4.238 3.509 ( 2.213 3.251 0.652) 3.986 3.736 ( -2.703 -9.442 -0.746) 9.849 3.854 ( -1.036 9.819 -1.016) 9.925 3.903 ( 1.706 7.041 0.670) 7.276 4.107 ( 2.072 -7.690 -1.747) 8.153 4.152 ( 0.360 -11.598 0.199) 11.606 4.354 ( 4.822 -3.680 2.699) 6.640 4.411 ( 4.315 -8.974 2.033) 10.163 4.723 ( -1.352 0.764 -1.810) 2.385 4.785 ( 1.802 -4.976 -0.331) 5.303 8.010 ( -0.736 9.113 -0.040) 9.142 8.074 ( 1.000 5.356 0.424) 5.465 8.108 ( -1.087 9.610 1.025) 9.726 8.269 ( 0.832 -5.065 -2.987) 5.939 8.312 ( -3.235 -7.204 -0.067) 7.897 8.350 ( -1.590 -9.810 1.258) 10.018 8.675 ( -0.304 0.499 0.149) 0.603 8.689 ( -0.185 -0.845 -0.672) 1.096 8.969 ( -1.295 5.423 1.282) 5.721 9.016 ( -0.831 1.779 0.893) 2.157 9.040 ( 0.074 -1.193 0.279) 1.227 9.150 ( -0.021 -8.488 -1.758) 8.668 10.047 ( -3.676 4.097 -0.144) 5.506 10.086 ( -4.418 0.613 0.171) 4.464 10.116 ( -4.190 1.860 0.972) 4.686 10.144 ( -4.010 -0.856 0.023) 4.101 10.333 ( -0.611 2.700 -0.589) 2.830 10.380 ( 0.583 -0.815 0.943) 1.376 10.493 ( 0.699 0.662 -1.465) 1.753 10.513 ( 3.511 -0.931 -1.147) 3.809 10.791 ( 0.727 6.395 0.452) 6.452 10.881 ( 1.763 2.441 0.603) 3.071 10.924 ( 0.965 -2.903 0.241) 3.069 10.960 ( -0.334 -7.950 1.793) 8.156 11.224 ( -0.034 -0.339 -1.669) 1.703 11.250 ( -1.306 -2.853 -1.216) 3.365 11.374 ( -3.555 1.474 0.628) 3.900 11.420 ( -3.021 -2.820 0.829) 4.215 11.848 ( 0.645 2.090 -0.584) 2.264 11.899 ( 0.739 -2.811 -0.158) 2.911 11.953 ( 2.844 1.832 0.317) 3.398 12.002 ( 2.653 -2.913 0.339) 3.955 13.050 ( 2.688 2.142 -0.985) 3.575 13.082 ( 3.404 -0.926 -0.947) 3.653 13.363 ( 3.126 2.275 0.596) 3.911 13.398 ( 3.899 -1.184 1.046) 4.207 ======================= Grid point 94 (52/84) ======================= q-point: (-0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -5.688 9.521 -0.947) 11.131 0.944 ( -0.632 0.828 -2.289) 2.515 1.013 ( -1.290 1.564 4.064) 4.541 1.089 ( -0.175 2.345 1.044) 2.573 1.123 ( -1.345 -1.123 1.732) 2.464 1.194 ( 0.321 -3.723 -0.676) 3.797 1.300 ( -0.698 3.155 0.793) 3.327 1.341 ( -1.761 1.074 1.785) 2.728 1.358 ( -1.407 1.441 0.139) 2.019 1.393 ( -3.840 -1.078 1.670) 4.324 1.507 ( 3.075 6.621 0.326) 7.307 1.575 ( 2.310 1.079 -3.628) 4.434 1.672 ( 2.468 -0.571 -0.697) 2.628 1.704 ( 6.334 -4.537 -6.628) 10.229 1.820 ( -5.171 5.947 -2.706) 8.332 1.921 ( -6.364 6.072 -4.919) 10.078 1.977 ( -4.034 -2.552 0.454) 4.795 2.049 ( -5.482 -4.615 -1.387) 7.299 2.158 ( 0.987 -2.085 5.814) 6.255 2.206 ( -2.506 -2.221 1.502) 3.670 2.259 ( -5.779 -2.213 4.021) 7.380 2.296 ( -4.665 -2.542 0.708) 5.360 2.524 ( -4.592 8.411 -0.710) 9.609 2.602 ( -2.085 10.925 0.215) 11.125 2.730 ( 2.785 -1.488 -0.634) 3.221 2.774 ( -0.010 -8.992 1.870) 9.185 2.904 ( 1.394 -4.229 0.580) 4.491 2.981 ( 0.096 -9.457 2.977) 9.915 3.229 ( 5.811 9.789 0.014) 11.384 3.347 ( 1.218 2.796 -2.731) 4.094 3.402 ( 3.996 -3.937 -0.589) 5.641 3.452 ( 1.128 -7.282 -0.738) 7.406 3.621 ( 7.134 14.261 0.936) 15.973 3.766 ( 3.663 1.056 1.846) 4.236 3.800 ( -2.432 12.272 -1.274) 12.576 3.909 ( -2.214 3.345 0.792) 4.089 4.122 ( 1.527 -11.733 -1.607) 11.941 4.167 ( 1.326 -16.681 -0.075) 16.734 4.380 ( -0.622 1.827 -2.144) 2.885 4.502 ( 1.678 -11.494 -0.520) 11.627 4.681 ( -1.287 5.877 1.690) 6.249 4.811 ( 1.131 -7.233 0.414) 7.333 8.000 ( -0.367 10.423 0.337) 10.435 8.085 ( -0.440 10.937 -0.266) 10.949 8.108 ( 0.503 4.988 1.288) 5.176 8.252 ( -1.669 -8.008 -0.450) 8.192 8.265 ( -0.070 -6.463 -1.460) 6.626 8.328 ( -1.492 -10.185 0.166) 10.295 8.670 ( -0.180 0.300 -0.060) 0.355 8.682 ( -0.023 -0.781 -0.551) 0.956 8.957 ( -1.401 6.290 1.656) 6.653 9.012 ( -0.438 1.437 0.718) 1.665 9.045 ( 0.155 -1.407 0.250) 1.437 9.135 ( 0.222 -8.646 -1.827) 8.840 9.991 ( -1.989 3.057 -0.466) 3.676 10.018 ( -2.834 0.789 -0.168) 2.947 10.062 ( -2.497 1.952 0.607) 3.227 10.084 ( -2.555 -0.033 0.531) 2.610 10.313 ( -0.581 3.303 -0.003) 3.354 10.406 ( 0.421 -4.926 1.404) 5.140 10.484 ( 0.062 4.877 -1.164) 5.014 10.566 ( 3.328 -2.585 -1.479) 4.466 10.806 ( -0.383 5.929 1.137) 6.049 10.858 ( -1.424 4.587 -0.644) 4.846 10.952 ( -0.473 -5.667 -0.166) 5.689 11.003 ( 3.556 -7.478 1.163) 8.362 11.196 ( -1.239 0.262 -1.794) 2.196 11.234 ( 1.042 -2.702 -0.446) 2.931 11.316 ( -3.694 2.456 0.859) 4.519 11.377 ( -2.367 -3.192 0.541) 4.010 11.855 ( 0.475 2.355 0.190) 2.410 11.912 ( 0.540 -3.089 0.163) 3.140 11.996 ( 1.534 1.253 -0.013) 1.981 12.041 ( 1.361 -3.049 -0.245) 3.348 13.092 ( 2.371 2.621 0.213) 3.541 13.134 ( 2.790 -1.391 -0.009) 3.117 13.418 ( 2.165 3.075 -0.053) 3.761 13.465 ( 2.434 -1.494 -0.098) 2.858 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.005 0.000 6.216) 6.216 0.356 ( 6.432 0.000 4.832) 8.045 0.706 ( 4.236 0.000 1.883) 4.635 0.810 ( -4.780 0.000 -8.834) 10.045 1.026 ( -7.143 0.000 10.872) 13.008 1.100 ( 1.820 0.000 -1.204) 2.182 1.169 ( 4.860 0.000 1.223) 5.012 1.181 ( -3.966 0.000 -0.267) 3.975 1.245 ( -2.005 0.000 12.433) 12.594 1.357 ( 0.292 0.000 3.778) 3.789 1.410 ( -0.994 0.000 -1.993) 2.227 1.474 ( 0.502 0.000 0.968) 1.090 1.518 ( -0.124 0.000 -1.500) 1.506 1.548 ( 6.424 0.000 -11.640) 13.295 1.672 ( -1.090 0.000 1.471) 1.831 1.741 ( -1.701 0.000 -6.232) 6.460 1.929 ( 0.923 0.000 -0.096) 0.927 1.954 ( 0.922 0.000 -2.030) 2.229 2.167 ( 2.647 0.000 0.375) 2.674 2.183 ( -6.565 0.000 -1.730) 6.789 2.406 ( -1.385 0.000 0.393) 1.440 2.472 ( -0.083 0.000 -6.192) 6.193 2.710 ( -0.780 0.000 1.340) 1.551 2.724 ( 1.758 0.000 -0.084) 1.760 2.862 ( 2.837 0.000 0.140) 2.840 2.874 ( -1.171 0.000 -0.924) 1.491 3.082 ( -1.107 0.000 5.654) 5.761 3.136 ( -1.057 0.000 -0.432) 1.141 3.263 ( 5.015 0.000 8.318) 9.713 3.328 ( 4.451 0.000 1.765) 4.788 3.376 ( -4.362 0.000 -3.036) 5.315 3.396 ( -1.976 0.000 -3.746) 4.235 3.639 ( -8.632 0.000 -0.024) 8.632 3.660 ( 9.005 0.000 -0.721) 9.033 4.017 ( -1.657 0.000 4.653) 4.939 4.070 ( 1.956 0.000 -1.551) 2.496 4.107 ( 2.341 0.000 0.094) 2.343 4.155 ( -3.599 0.000 -4.848) 6.038 4.530 ( -3.371 0.000 5.036) 6.061 4.610 ( 2.799 0.000 -3.585) 4.548 5.279 ( 0.400 0.000 1.297) 1.357 5.306 ( -0.425 0.000 -1.518) 1.576 7.618 ( -0.997 0.000 0.724) 1.233 7.628 ( 0.910 0.000 -0.370) 0.982 7.984 ( -3.692 0.000 6.982) 7.898 8.146 ( 5.336 0.000 -10.588) 11.856 8.617 ( 0.302 0.000 0.936) 0.984 8.632 ( -0.162 0.000 -0.668) 0.688 8.688 ( -1.720 0.000 0.736) 1.871 8.708 ( 2.037 0.000 -1.372) 2.456 9.000 ( -1.112 0.000 2.569) 2.799 9.033 ( -0.354 0.000 0.087) 0.365 9.183 ( -5.131 0.000 10.384) 11.582 9.379 ( 4.904 0.000 -9.766) 10.929 9.820 ( 0.295 0.000 2.925) 2.940 9.873 ( -1.170 0.000 -2.377) 2.649 9.899 ( 2.627 0.000 0.206) 2.635 9.913 ( -1.934 0.000 -0.955) 2.157 10.244 ( 0.509 0.000 0.815) 0.961 10.258 ( -0.450 0.000 -0.702) 0.834 10.596 ( 4.045 0.000 0.068) 4.046 10.599 ( -4.400 0.000 -0.289) 4.410 10.725 ( 4.626 0.000 1.228) 4.786 10.744 ( -4.217 0.000 -0.827) 4.297 11.070 ( -2.651 0.000 0.273) 2.666 11.077 ( 3.194 0.000 -0.488) 3.231 11.355 ( 0.586 0.000 3.252) 3.305 11.415 ( -2.826 0.000 -3.279) 4.329 11.433 ( -0.538 0.000 1.569) 1.658 11.463 ( 1.367 0.000 -1.476) 2.012 11.844 ( 2.267 0.000 2.516) 3.386 11.896 ( -1.961 0.000 -3.124) 3.689 12.183 ( 0.392 0.000 2.673) 2.702 12.224 ( -0.092 0.000 -1.681) 1.684 12.999 ( 0.545 0.000 2.687) 2.742 13.056 ( -0.951 0.000 -3.462) 3.590 13.361 ( 1.912 0.000 4.211) 4.625 13.433 ( -1.469 0.000 -3.464) 3.763 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 12.175 0.000 -5.135) 13.214 0.518 ( 11.126 0.000 -3.405) 11.636 0.724 ( 3.888 0.000 -2.313) 4.524 0.833 ( 3.107 0.000 8.530) 9.078 1.031 ( -1.026 0.000 4.052) 4.180 1.112 ( -2.399 0.000 -1.306) 2.732 1.131 ( 1.943 0.000 -0.110) 1.946 1.252 ( 2.805 0.000 0.957) 2.964 1.331 ( -1.492 0.000 8.731) 8.857 1.346 ( -1.560 0.000 -5.641) 5.853 1.459 ( 6.998 0.000 3.057) 7.637 1.489 ( 0.017 0.000 1.524) 1.524 1.501 ( 0.219 0.000 -2.558) 2.567 1.605 ( 12.573 0.000 -13.056) 18.126 1.698 ( 0.437 0.000 -1.758) 1.811 1.718 ( 3.291 0.000 7.861) 8.522 1.926 ( -1.171 0.000 -1.977) 2.298 1.927 ( -1.528 0.000 -0.587) 1.637 2.082 ( -3.819 0.000 1.470) 4.092 2.236 ( 2.723 0.000 4.327) 5.113 2.409 ( -1.048 0.000 4.600) 4.718 2.440 ( 0.444 0.000 -2.076) 2.123 2.688 ( -1.856 0.000 -0.064) 1.857 2.737 ( 0.249 0.000 -2.494) 2.506 2.780 ( -6.904 0.000 -0.736) 6.943 2.859 ( -3.000 0.000 -0.757) 3.094 3.099 ( -2.397 0.000 -1.737) 2.960 3.108 ( -2.018 0.000 5.805) 6.145 3.210 ( -5.513 0.000 -1.638) 5.752 3.224 ( -7.021 0.000 -8.897) 11.334 3.459 ( 3.386 0.000 2.448) 4.179 3.460 ( 5.545 0.000 2.681) 6.159 3.515 ( -2.563 0.000 0.648) 2.643 3.772 ( 3.268 0.000 -1.960) 3.810 3.998 ( -3.738 0.000 3.456) 5.091 4.039 ( -4.705 0.000 -3.033) 5.598 4.136 ( 6.612 0.000 -2.502) 7.070 4.204 ( 5.246 0.000 2.839) 5.965 4.497 ( -4.865 0.000 5.243) 7.153 4.614 ( 1.327 0.000 -3.788) 4.014 5.280 ( -0.874 0.000 -1.288) 1.557 5.296 ( 0.111 0.000 1.331) 1.336 7.616 ( 0.157 0.000 0.498) 0.523 7.648 ( 1.530 0.000 -0.308) 1.560 7.975 ( -4.242 0.000 7.121) 8.289 8.139 ( 4.391 0.000 -10.379) 11.269 8.635 ( 1.207 0.000 -1.172) 1.682 8.644 ( 1.753 0.000 0.867) 1.956 8.663 ( -1.436 0.000 0.913) 1.702 8.728 ( 1.447 0.000 -1.544) 2.116 9.005 ( -0.985 0.000 2.704) 2.878 9.032 ( -0.091 0.000 0.683) 0.689 9.184 ( -4.898 0.000 9.859) 11.009 9.379 ( 4.781 0.000 -9.695) 10.810 9.853 ( 0.326 0.000 2.475) 2.496 9.853 ( 1.373 0.000 -2.664) 2.997 9.916 ( 3.320 0.000 0.075) 3.321 9.968 ( 4.513 0.000 0.453) 4.535 10.259 ( 1.135 0.000 -0.584) 1.277 10.267 ( 0.504 0.000 0.473) 0.692 10.525 ( -3.074 0.000 -0.356) 3.095 10.652 ( -1.164 0.000 1.960) 2.279 10.672 ( 0.030 0.000 -1.949) 1.949 10.791 ( -0.710 0.000 -0.205) 0.739 11.015 ( -0.102 0.000 1.526) 1.529 11.086 ( -0.500 0.000 -1.611) 1.687 11.366 ( -0.827 0.000 -1.029) 1.320 11.424 ( 1.152 0.000 2.835) 3.060 11.459 ( 2.828 0.000 2.320) 3.658 11.487 ( 2.947 0.000 -2.448) 3.832 11.823 ( -2.565 0.000 -2.510) 3.589 11.889 ( -0.037 0.000 2.237) 2.238 12.176 ( -2.961 0.000 -2.344) 3.776 12.184 ( -2.502 0.000 1.823) 3.096 13.005 ( -1.634 0.000 -2.542) 3.022 13.028 ( -0.578 0.000 3.287) 3.337 13.351 ( -3.406 0.000 -4.145) 5.365 13.408 ( -0.691 0.000 3.356) 3.427 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 11.854 0.000 -4.688) 12.747 0.716 ( 12.370 0.000 -0.704) 12.390 0.923 ( 13.046 0.000 3.327) 13.464 0.960 ( 0.467 0.000 11.859) 11.869 1.048 ( 1.596 0.000 -0.082) 1.598 1.068 ( -1.090 0.000 0.048) 1.091 1.165 ( 1.441 0.000 -0.231) 1.459 1.282 ( -0.704 0.000 -3.285) 3.360 1.297 ( 0.867 0.000 2.171) 2.337 1.355 ( -1.757 0.000 4.326) 4.669 1.475 ( -0.593 0.000 -2.070) 2.153 1.507 ( 0.629 0.000 1.544) 1.667 1.558 ( 2.641 0.000 -0.745) 2.744 1.689 ( -0.620 0.000 0.191) 0.649 1.762 ( 15.718 0.000 -14.225) 21.199 1.827 ( -2.760 0.000 3.342) 4.334 1.856 ( -4.477 0.000 -1.152) 4.623 2.008 ( 14.017 0.000 1.226) 14.070 2.109 ( 6.726 0.000 1.745) 6.949 2.324 ( 1.764 0.000 4.222) 4.576 2.412 ( -2.728 0.000 -1.983) 3.373 2.433 ( -2.927 0.000 6.482) 7.113 2.604 ( -7.526 0.000 -1.907) 7.764 2.649 ( -2.541 0.000 -0.790) 2.661 2.734 ( -1.091 0.000 -0.849) 1.382 2.766 ( -4.548 0.000 -0.395) 4.565 2.948 ( -5.547 0.000 -9.046) 10.611 3.096 ( -4.110 0.000 4.325) 5.967 3.115 ( -1.710 0.000 0.063) 1.711 3.140 ( -0.738 0.000 -0.826) 1.108 3.468 ( 1.235 0.000 -0.065) 1.236 3.552 ( 2.507 0.000 -0.058) 2.508 3.578 ( 2.428 0.000 1.826) 3.038 3.752 ( -2.246 0.000 -1.194) 2.544 3.874 ( -9.518 0.000 -5.120) 10.808 3.942 ( -7.027 0.000 4.948) 8.595 4.268 ( 8.253 0.000 -0.806) 8.292 4.300 ( 3.076 0.000 0.461) 3.110 4.468 ( -3.123 0.000 4.999) 5.895 4.602 ( 1.574 0.000 -3.604) 3.933 5.259 ( -0.315 0.000 -0.553) 0.636 5.306 ( -0.089 0.000 0.739) 0.744 7.630 ( 0.795 0.000 0.348) 0.868 7.671 ( 1.034 0.000 -0.300) 1.077 7.961 ( -4.299 0.000 7.245) 8.424 8.122 ( 3.994 0.000 -10.155) 10.912 8.637 ( -0.603 0.000 0.790) 0.994 8.675 ( 2.432 0.000 -0.591) 2.503 8.692 ( 2.611 0.000 0.700) 2.703 8.729 ( 0.650 0.000 -2.226) 2.320 9.013 ( -0.910 0.000 3.007) 3.142 9.042 ( 0.081 0.000 1.420) 1.423 9.183 ( -4.680 0.000 9.163) 10.289 9.378 ( 4.617 0.000 -9.654) 10.701 9.869 ( 3.031 0.000 -3.001) 4.265 9.902 ( 3.360 0.000 2.024) 3.922 10.012 ( 5.919 0.000 1.347) 6.071 10.065 ( 5.810 0.000 0.143) 5.812 10.236 ( -4.490 0.000 -0.214) 4.495 10.277 ( 0.577 0.000 0.066) 0.581 10.486 ( -1.327 0.000 -0.467) 1.407 10.615 ( -1.579 0.000 -0.006) 1.579 10.666 ( -2.981 0.000 1.055) 3.162 10.704 ( -5.585 0.000 0.023) 5.585 11.079 ( 2.972 0.000 -2.976) 4.206 11.134 ( 8.828 0.000 2.750) 9.246 11.350 ( -0.988 0.000 0.486) 1.101 11.429 ( -1.540 0.000 0.694) 1.689 11.510 ( 1.968 0.000 -3.543) 4.053 11.536 ( 2.787 0.000 1.405) 3.121 11.786 ( -0.722 0.000 0.355) 0.805 11.883 ( -2.313 0.000 1.700) 2.870 12.087 ( -3.973 0.000 -2.442) 4.663 12.134 ( -3.966 0.000 0.874) 4.061 12.955 ( -1.699 0.000 -1.592) 2.329 13.029 ( -2.678 0.000 2.880) 3.933 13.257 ( -2.499 0.000 -3.185) 4.049 13.396 ( -3.056 0.000 1.971) 3.637 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 12.910 0.000 2.423) 13.136 0.906 ( 4.779 0.000 5.168) 7.039 1.017 ( -0.859 0.000 0.472) 0.980 1.034 ( 2.486 0.000 0.620) 2.563 1.124 ( 3.464 0.000 5.201) 6.250 1.170 ( 2.436 0.000 -1.552) 2.888 1.197 ( 7.063 0.000 1.814) 7.293 1.261 ( 0.085 0.000 -0.316) 0.327 1.326 ( -0.049 0.000 1.315) 1.316 1.353 ( -3.516 0.000 6.594) 7.473 1.443 ( -1.433 0.000 -1.244) 1.898 1.542 ( 1.001 0.000 1.138) 1.515 1.552 ( -1.706 0.000 -1.385) 2.197 1.654 ( -1.767 0.000 -2.298) 2.899 1.774 ( -3.761 0.000 1.073) 3.911 1.800 ( -1.383 0.000 1.501) 2.041 1.859 ( 7.206 0.000 -9.748) 12.122 2.134 ( -3.001 0.000 -9.896) 10.341 2.337 ( 3.852 0.000 -1.996) 4.339 2.345 ( 0.280 0.000 -1.085) 1.121 2.393 ( 10.794 0.000 2.613) 11.106 2.462 ( 8.805 0.000 1.466) 8.926 2.552 ( 0.808 0.000 4.297) 4.373 2.577 ( -2.694 0.000 1.599) 3.132 2.698 ( -0.885 0.000 -2.680) 2.822 2.717 ( -1.701 0.000 -1.658) 2.375 2.868 ( 2.756 0.000 -2.073) 3.449 3.055 ( -3.167 0.000 1.484) 3.498 3.093 ( -2.187 0.000 1.195) 2.492 3.164 ( 2.776 0.000 2.186) 3.533 3.411 ( -18.590 0.000 -1.926) 18.689 3.473 ( -3.321 0.000 -1.502) 3.645 3.612 ( 1.186 0.000 2.593) 2.852 3.718 ( -0.766 0.000 -0.116) 0.774 3.740 ( 1.236 0.000 -2.915) 3.166 3.840 ( -7.768 0.000 3.928) 8.705 4.329 ( 1.044 0.000 -0.662) 1.236 4.366 ( 2.346 0.000 -0.786) 2.474 4.485 ( 0.792 0.000 3.988) 4.066 4.609 ( 2.050 0.000 -3.109) 3.724 5.260 ( 0.514 0.000 0.230) 0.563 5.304 ( -0.407 0.000 -0.117) 0.424 7.647 ( 0.764 0.000 0.312) 0.825 7.677 ( 0.044 0.000 -0.321) 0.324 7.951 ( -4.034 0.000 7.280) 8.323 8.107 ( 4.554 0.000 -10.059) 11.042 8.638 ( -0.546 0.000 1.748) 1.831 8.714 ( 0.222 0.000 -2.481) 2.491 8.720 ( 2.659 0.000 -0.451) 2.697 8.740 ( 1.867 0.000 0.033) 1.867 9.024 ( -0.982 0.000 3.158) 3.307 9.058 ( 0.110 0.000 1.560) 1.564 9.179 ( -4.558 0.000 8.762) 9.877 9.373 ( 4.532 0.000 -9.667) 10.677 9.908 ( 4.239 0.000 -2.696) 5.023 10.007 ( 5.724 0.000 2.303) 6.170 10.090 ( -4.353 0.000 -0.525) 4.385 10.166 ( 3.378 0.000 1.367) 3.644 10.172 ( 5.622 0.000 -0.252) 5.628 10.260 ( -2.668 0.000 -0.085) 2.669 10.447 ( -2.954 0.000 0.777) 3.055 10.565 ( -5.974 0.000 1.036) 6.063 10.623 ( 0.286 0.000 -1.127) 1.163 10.640 ( -2.045 0.000 0.531) 2.113 11.142 ( 5.654 0.000 -1.332) 5.809 11.328 ( 0.885 0.000 2.234) 2.403 11.337 ( 6.975 0.000 0.553) 6.997 11.405 ( -0.232 0.000 -0.982) 1.009 11.483 ( -1.190 0.000 -2.762) 3.007 11.595 ( 2.442 0.000 1.333) 2.783 11.756 ( -4.222 0.000 0.996) 4.338 11.839 ( -3.280 0.000 -0.555) 3.327 12.017 ( -1.396 0.000 -0.644) 1.538 12.076 ( -2.591 0.000 0.114) 2.593 12.921 ( -0.502 0.000 -1.005) 1.123 12.979 ( -4.129 0.000 0.847) 4.215 13.226 ( 0.781 0.000 -0.397) 0.876 13.342 ( -3.842 0.000 0.539) 3.880 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -2.380 0.000 6.103) 6.551 1.005 ( -0.590 0.000 1.247) 1.379 1.057 ( 2.197 0.000 1.428) 2.620 1.075 ( 0.516 0.000 -0.584) 0.779 1.205 ( 0.125 0.000 1.342) 1.347 1.216 ( 3.034 0.000 -1.215) 3.269 1.239 ( -9.998 0.000 3.701) 10.661 1.265 ( 5.435 0.000 1.052) 5.536 1.323 ( 4.152 0.000 1.798) 4.525 1.335 ( -2.721 0.000 1.087) 2.930 1.467 ( 5.886 0.000 -0.110) 5.888 1.483 ( -5.647 0.000 -0.945) 5.725 1.528 ( -0.958 0.000 1.749) 1.994 1.636 ( 2.078 0.000 -6.126) 6.469 1.749 ( -1.599 0.000 4.867) 5.123 1.789 ( -1.459 0.000 -0.166) 1.469 1.895 ( 3.710 0.000 -3.687) 5.230 1.962 ( -4.193 0.000 -8.650) 9.613 2.291 ( 0.092 0.000 0.629) 0.635 2.325 ( 0.235 0.000 -2.877) 2.887 2.530 ( -0.552 0.000 4.171) 4.208 2.552 ( 2.163 0.000 1.913) 2.888 2.655 ( -0.483 0.000 -0.916) 1.035 2.670 ( 1.044 0.000 -2.701) 2.896 2.677 ( -2.685 0.000 0.677) 2.769 2.699 ( 2.497 0.000 -2.023) 3.213 3.004 ( 10.950 0.000 1.911) 11.116 3.019 ( -16.332 0.000 0.128) 16.332 3.040 ( -0.110 0.000 -0.405) 0.420 3.046 ( 0.961 0.000 -0.072) 0.964 3.280 ( 8.128 0.000 2.550) 8.518 3.348 ( -3.776 0.000 -4.064) 5.547 3.668 ( 0.527 0.000 2.955) 3.001 3.716 ( -0.331 0.000 -1.684) 1.717 3.753 ( -4.668 0.000 1.955) 5.060 3.770 ( 4.022 0.000 -0.091) 4.023 4.347 ( 1.243 0.000 0.241) 1.266 4.357 ( -1.591 0.000 -0.786) 1.775 4.536 ( 0.188 0.000 3.463) 3.468 4.600 ( -0.127 0.000 -3.306) 3.308 5.277 ( 0.781 0.000 0.680) 1.035 5.290 ( -0.790 0.000 -0.636) 1.014 7.661 ( 0.386 0.000 0.445) 0.589 7.669 ( -0.481 0.000 -0.393) 0.622 7.947 ( -3.623 0.000 7.166) 8.030 8.106 ( 5.230 0.000 -10.098) 11.372 8.648 ( -0.256 0.000 2.155) 2.170 8.695 ( 0.480 0.000 -2.834) 2.874 8.750 ( 0.564 0.000 0.174) 0.590 8.751 ( -0.840 0.000 -0.038) 0.841 9.032 ( -1.323 0.000 3.066) 3.339 9.070 ( 0.010 0.000 0.596) 0.596 9.177 ( -4.660 0.000 9.322) 10.422 9.369 ( 4.662 0.000 -9.738) 10.796 9.963 ( -6.534 0.000 0.129) 6.536 9.980 ( 5.956 0.000 -1.576) 6.162 10.141 ( 5.791 0.000 2.198) 6.194 10.171 ( -5.490 0.000 -1.121) 5.603 10.236 ( -0.468 0.000 0.480) 0.670 10.244 ( 0.559 0.000 -0.298) 0.633 10.441 ( 2.762 0.000 2.346) 3.623 10.471 ( -2.796 0.000 -0.881) 2.932 10.619 ( -1.046 0.000 0.392) 1.117 10.631 ( 1.136 0.000 -0.837) 1.411 11.245 ( 5.527 0.000 0.989) 5.614 11.267 ( -5.278 0.000 -1.320) 5.441 11.391 ( -2.296 0.000 0.287) 2.314 11.405 ( 0.608 0.000 -1.054) 1.217 11.563 ( 8.286 0.000 1.641) 8.447 11.584 ( -6.622 0.000 -0.705) 6.659 11.719 ( 2.132 0.000 2.115) 3.003 11.762 ( -2.775 0.000 -2.477) 3.720 12.027 ( 1.830 0.000 0.628) 1.935 12.039 ( -1.438 0.000 -0.621) 1.566 12.922 ( -2.194 0.000 0.134) 2.198 12.928 ( 2.034 0.000 -0.441) 2.081 13.266 ( 3.063 0.000 0.839) 3.176 13.279 ( -2.881 0.000 -0.585) 2.940 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -16.259 0.000 4.046) 16.755 0.948 ( -9.769 0.000 -1.331) 9.859 1.033 ( -0.465 0.000 0.694) 0.835 1.042 ( 0.805 0.000 -2.041) 2.194 1.151 ( -0.872 0.000 0.325) 0.931 1.179 ( -2.774 0.000 -0.574) 2.832 1.212 ( -3.410 0.000 1.251) 3.632 1.284 ( -1.655 0.000 -2.464) 2.968 1.341 ( 0.711 0.000 -0.504) 0.871 1.384 ( -0.614 0.000 2.097) 2.185 1.509 ( -5.430 0.000 5.105) 7.453 1.531 ( 7.833 0.000 -0.954) 7.891 1.576 ( 3.432 0.000 2.261) 4.110 1.578 ( 0.014 0.000 -9.414) 9.414 1.740 ( -4.048 0.000 1.204) 4.223 1.821 ( 5.417 0.000 3.020) 6.202 1.836 ( -3.340 0.000 -3.550) 4.874 1.935 ( 1.467 0.000 6.362) 6.529 2.314 ( -3.157 0.000 -0.400) 3.182 2.338 ( -2.887 0.000 -0.504) 2.931 2.440 ( -8.121 0.000 -2.255) 8.428 2.476 ( -9.589 0.000 -0.211) 9.591 2.568 ( -1.047 0.000 3.070) 3.244 2.617 ( 2.534 0.000 -1.084) 2.756 2.674 ( 2.457 0.000 -0.913) 2.621 2.699 ( 3.792 0.000 -0.686) 3.853 2.870 ( -3.192 0.000 -1.087) 3.372 3.045 ( 2.766 0.000 2.181) 3.522 3.108 ( 2.933 0.000 -0.288) 2.947 3.195 ( -1.219 0.000 -0.751) 1.432 3.412 ( 16.121 0.000 -2.516) 16.316 3.448 ( 4.830 0.000 0.932) 4.919 3.663 ( -2.692 0.000 3.294) 4.254 3.666 ( -1.461 0.000 -2.989) 3.327 3.720 ( -0.904 0.000 1.763) 1.982 3.893 ( 9.720 0.000 -1.530) 9.840 4.318 ( -2.088 0.000 0.377) 2.122 4.355 ( -1.983 0.000 0.480) 2.040 4.544 ( -2.848 0.000 3.855) 4.793 4.557 ( -0.175 0.000 -3.763) 3.767 5.268 ( -0.851 0.000 -0.579) 1.030 5.298 ( 0.810 0.000 0.583) 0.998 7.655 ( -0.667 0.000 -0.491) 0.828 7.667 ( -0.387 0.000 0.732) 0.828 7.950 ( -2.939 0.000 6.976) 7.570 8.113 ( 5.641 0.000 -10.253) 11.703 8.667 ( 0.088 0.000 2.302) 2.303 8.681 ( 0.628 0.000 -2.847) 2.916 8.713 ( -3.007 0.000 0.252) 3.017 8.741 ( -1.701 0.000 0.233) 1.717 9.030 ( -1.813 0.000 2.752) 3.295 9.068 ( -0.276 0.000 -0.387) 0.476 9.178 ( -4.956 0.000 10.226) 11.363 9.369 ( 5.030 0.000 -9.807) 11.022 9.870 ( -4.461 0.000 1.292) 4.644 10.038 ( -5.342 0.000 -1.051) 5.444 10.092 ( 3.647 0.000 -0.734) 3.721 10.160 ( -5.902 0.000 0.971) 5.982 10.193 ( -2.768 0.000 -1.418) 3.110 10.250 ( 3.159 0.000 1.046) 3.327 10.465 ( 1.766 0.000 -0.979) 2.019 10.561 ( 5.606 0.000 1.550) 5.816 10.610 ( 1.071 0.000 0.174) 1.085 10.651 ( 2.093 0.000 -0.690) 2.204 11.136 ( -7.253 0.000 -0.667) 7.283 11.329 ( -0.574 0.000 0.994) 1.148 11.364 ( -3.739 0.000 -0.912) 3.849 11.380 ( 0.459 0.000 1.575) 1.641 11.460 ( -2.757 0.000 -0.504) 2.803 11.619 ( -2.472 0.000 -1.232) 2.762 11.771 ( 4.584 0.000 -0.572) 4.620 11.813 ( 4.922 0.000 2.072) 5.340 12.018 ( 0.155 0.000 -0.646) 0.664 12.076 ( 3.130 0.000 0.066) 3.131 12.909 ( 0.405 0.000 0.332) 0.524 12.986 ( 4.447 0.000 0.046) 4.448 13.233 ( -1.381 0.000 -1.035) 1.725 13.342 ( 4.344 0.000 0.601) 4.386 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -15.197 0.000 2.252) 15.363 0.689 ( -16.507 0.000 0.987) 16.536 0.972 ( -11.613 0.000 -2.258) 11.831 1.046 ( 0.781 0.000 -0.085) 0.786 1.099 ( -0.272 0.000 -3.031) 3.044 1.118 ( -2.263 0.000 -4.065) 4.653 1.167 ( -0.362 0.000 -0.264) 0.448 1.251 ( -2.230 0.000 -0.040) 2.231 1.322 ( -1.993 0.000 -0.744) 2.128 1.413 ( 0.688 0.000 2.386) 2.484 1.413 ( -13.404 0.000 12.963) 18.647 1.478 ( -2.033 0.000 -4.968) 5.368 1.581 ( 1.337 0.000 -3.862) 4.087 1.582 ( -4.186 0.000 1.648) 4.498 1.686 ( -0.730 0.000 0.671) 0.991 1.829 ( 2.759 0.000 2.016) 3.417 1.881 ( 2.749 0.000 -3.717) 4.623 2.009 ( -7.093 0.000 2.055) 7.385 2.153 ( -5.526 0.000 -2.659) 6.132 2.286 ( 6.325 0.000 8.474) 10.574 2.419 ( 0.540 0.000 -2.800) 2.852 2.517 ( 7.707 0.000 -0.381) 7.716 2.619 ( 1.470 0.000 -4.933) 5.148 2.622 ( 2.433 0.000 2.376) 3.401 2.735 ( 3.930 0.000 -1.072) 4.073 2.755 ( 0.629 0.000 0.158) 0.649 2.849 ( 3.240 0.000 1.159) 3.441 3.113 ( 0.214 0.000 2.145) 2.156 3.134 ( 0.633 0.000 -1.459) 1.591 3.158 ( 3.062 0.000 -2.589) 4.010 3.457 ( -0.922 0.000 0.981) 1.346 3.514 ( -4.930 0.000 3.356) 5.964 3.623 ( -1.864 0.000 -3.013) 3.543 3.728 ( 1.390 0.000 1.719) 2.211 3.801 ( 11.061 0.000 2.927) 11.442 4.033 ( 7.123 0.000 -4.867) 8.627 4.261 ( -8.000 0.000 0.068) 8.001 4.297 ( -1.181 0.000 0.988) 1.539 4.520 ( -3.472 0.000 5.109) 6.178 4.552 ( 3.176 0.000 -4.047) 5.145 5.255 ( -0.213 0.000 -0.028) 0.215 5.315 ( 0.743 0.000 -0.150) 0.758 7.638 ( -0.666 0.000 -0.530) 0.851 7.658 ( -1.432 0.000 0.982) 1.736 7.965 ( -2.398 0.000 6.843) 7.251 8.125 ( 5.932 0.000 -10.442) 12.009 8.649 ( -2.430 0.000 -0.209) 2.439 8.681 ( 0.438 0.000 -1.587) 1.646 8.686 ( -0.804 0.000 1.783) 1.955 8.704 ( -1.651 0.000 0.079) 1.653 9.017 ( -2.179 0.000 2.520) 3.332 9.056 ( -0.468 0.000 -0.618) 0.775 9.180 ( -5.183 0.000 10.694) 11.884 9.374 ( 5.261 0.000 -9.891) 11.203 9.821 ( -2.818 0.000 2.087) 3.507 9.930 ( -4.218 0.000 -1.192) 4.383 10.041 ( -5.317 0.000 -1.491) 5.522 10.059 ( -5.655 0.000 0.776) 5.708 10.239 ( 4.688 0.000 -0.523) 4.717 10.277 ( -0.734 0.000 0.109) 0.742 10.487 ( 1.467 0.000 -0.540) 1.564 10.593 ( 0.183 0.000 1.747) 1.757 10.700 ( 4.594 0.000 -1.837) 4.947 10.705 ( 4.449 0.000 -0.130) 4.451 11.034 ( -3.316 0.000 1.829) 3.787 11.177 ( -8.676 0.000 -1.774) 8.855 11.366 ( 0.269 0.000 -1.313) 1.340 11.429 ( 2.964 0.000 0.841) 3.081 11.445 ( -1.778 0.000 3.171) 3.636 11.552 ( -3.143 0.000 -0.585) 3.197 11.806 ( 0.029 0.000 -1.517) 1.517 11.906 ( 3.735 0.000 -0.339) 3.751 12.047 ( 2.774 0.000 1.486) 3.147 12.144 ( 4.309 0.000 -0.306) 4.320 12.934 ( 1.566 0.000 0.680) 1.707 13.070 ( 4.403 0.000 -1.131) 4.545 13.218 ( 0.392 0.000 0.700) 0.803 13.420 ( 3.818 0.000 -0.507) 3.851 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -13.321 0.000 5.363) 14.360 0.424 ( -14.520 0.000 5.344) 15.472 0.726 ( -9.197 0.000 0.809) 9.233 0.980 ( -5.254 0.000 -6.475) 8.338 1.081 ( 1.795 0.000 -2.063) 2.734 1.100 ( 0.413 0.000 0.199) 0.458 1.114 ( -7.431 0.000 4.061) 8.468 1.207 ( -4.243 0.000 8.819) 9.787 1.257 ( -4.415 0.000 0.340) 4.428 1.345 ( -4.388 0.000 7.364) 8.572 1.426 ( -1.506 0.000 2.048) 2.542 1.453 ( 2.118 0.000 -1.856) 2.816 1.538 ( -1.064 0.000 -0.909) 1.399 1.559 ( 1.916 0.000 -6.506) 6.782 1.686 ( -0.662 0.000 0.380) 0.764 1.851 ( -3.948 0.000 -4.451) 5.950 1.915 ( 0.690 0.000 -1.796) 1.923 1.916 ( 3.671 0.000 1.231) 3.872 2.119 ( 3.038 0.000 -2.281) 3.799 2.316 ( -3.639 0.000 -4.119) 5.497 2.446 ( -0.253 0.000 -2.817) 2.828 2.543 ( 0.663 0.000 -9.204) 9.228 2.669 ( 3.121 0.000 3.855) 4.960 2.678 ( 2.629 0.000 1.247) 2.910 2.790 ( 4.150 0.000 -1.219) 4.325 2.827 ( 4.536 0.000 4.061) 6.088 2.980 ( 5.806 0.000 8.368) 10.185 3.127 ( 0.463 0.000 1.321) 1.400 3.133 ( 0.343 0.000 2.435) 2.459 3.230 ( 6.337 0.000 -3.117) 7.062 3.449 ( -4.891 0.000 4.066) 6.360 3.513 ( 6.226 0.000 0.185) 6.229 3.520 ( -6.077 0.000 -2.927) 6.745 3.741 ( -1.904 0.000 0.642) 2.009 3.978 ( 3.445 0.000 3.470) 4.889 4.064 ( 1.937 0.000 -3.826) 4.289 4.124 ( -4.678 0.000 -0.550) 4.711 4.256 ( -3.095 0.000 -2.557) 4.015 4.525 ( -1.856 0.000 5.786) 6.077 4.582 ( 3.812 0.000 -3.924) 5.471 5.261 ( 0.474 0.000 0.742) 0.880 5.319 ( 0.310 0.000 -1.090) 1.133 7.625 ( -0.121 0.000 -0.474) 0.489 7.637 ( -1.768 0.000 0.956) 2.010 7.981 ( -2.825 0.000 6.861) 7.419 8.138 ( 5.932 0.000 -10.587) 12.136 8.617 ( -1.242 0.000 0.775) 1.464 8.655 ( -1.777 0.000 -0.251) 1.794 8.686 ( 1.635 0.000 -1.618) 2.300 8.702 ( -0.714 0.000 1.119) 1.327 9.002 ( -1.853 0.000 2.675) 3.254 9.042 ( -0.490 0.000 -0.366) 0.611 9.182 ( -5.231 0.000 10.703) 11.913 9.378 ( 5.039 0.000 -9.946) 11.150 9.804 ( -1.278 0.000 2.477) 2.787 9.879 ( -0.497 0.000 -0.548) 0.740 9.939 ( -3.814 0.000 -2.107) 4.357 9.975 ( -4.068 0.000 -0.116) 4.069 10.249 ( -1.652 0.000 0.382) 1.695 10.275 ( -0.096 0.000 -0.370) 0.382 10.526 ( 3.524 0.000 -0.458) 3.554 10.632 ( 1.845 0.000 2.113) 2.805 10.691 ( -2.190 0.000 -1.950) 2.932 10.782 ( 1.773 0.000 0.697) 1.905 11.049 ( -1.910 0.000 -2.043) 2.797 11.056 ( 2.206 0.000 1.595) 2.722 11.351 ( -1.273 0.000 0.799) 1.503 11.437 ( -1.849 0.000 2.580) 3.174 11.461 ( 0.635 0.000 -1.443) 1.576 11.500 ( -2.508 0.000 -1.571) 2.959 11.792 ( 0.669 0.000 0.674) 0.950 11.933 ( 0.859 0.000 -2.489) 2.633 12.126 ( 2.867 0.000 2.993) 4.144 12.208 ( 2.905 0.000 -0.830) 3.022 12.967 ( 0.963 0.000 1.445) 1.736 13.093 ( 0.805 0.000 -3.664) 3.751 13.275 ( 2.981 0.000 3.953) 4.951 13.458 ( 1.474 0.000 -2.051) 2.526 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 1.389 12.268 8.389) 14.927 0.629 ( 1.868 15.556 -1.005) 15.700 0.824 ( -1.423 5.979 -0.200) 6.150 0.872 ( -2.127 9.760 -1.341) 10.079 1.068 ( -3.349 4.338 1.431) 5.664 1.078 ( 2.340 -1.038 0.016) 2.560 1.205 ( 3.833 2.594 0.742) 4.687 1.217 ( -3.630 2.621 -0.522) 4.507 1.267 ( -1.394 2.380 12.454) 12.756 1.372 ( -0.854 1.463 3.597) 3.976 1.420 ( -1.253 0.666 -3.422) 3.704 1.485 ( 2.449 0.683 -1.030) 2.743 1.532 ( 0.126 3.217 -0.255) 3.230 1.594 ( 4.164 3.389 -6.834) 8.690 1.670 ( -1.147 -0.597 1.379) 1.891 1.748 ( -0.200 -0.653 -6.917) 6.950 1.867 ( -0.289 -3.303 0.214) 3.322 1.890 ( 0.611 -3.821 -1.990) 4.351 2.148 ( 1.927 -0.268 1.372) 2.381 2.172 ( -4.206 -0.442 -1.211) 4.399 2.408 ( -1.515 -0.056 2.835) 3.215 2.497 ( -0.294 1.489 -6.040) 6.228 2.656 ( -0.853 -5.043 0.754) 5.170 2.670 ( 1.571 -5.343 -0.662) 5.608 2.913 ( 1.167 1.118 0.865) 1.833 2.922 ( 1.038 2.814 -0.226) 3.008 3.048 ( -0.907 -0.161 4.854) 4.940 3.125 ( -1.151 1.439 -2.624) 3.206 3.267 ( 0.069 -4.217 4.936) 6.493 3.300 ( 6.610 1.542 5.522) 8.750 3.348 ( -3.250 -3.684 -4.048) 6.366 3.395 ( -1.147 -0.362 -1.940) 2.283 3.604 ( -6.949 -3.043 0.163) 7.587 3.635 ( 6.994 -2.144 -1.470) 7.462 3.918 ( 2.128 -5.262 4.543) 7.271 3.997 ( -2.654 -4.773 -3.578) 6.529 4.174 ( 1.519 3.454 -0.386) 3.792 4.195 ( -1.494 1.709 -2.745) 3.562 4.542 ( -3.871 0.898 4.315) 5.866 4.605 ( 3.209 -0.931 -2.507) 4.178 5.174 ( 0.551 -9.820 1.657) 9.974 5.207 ( -0.512 -9.144 -1.816) 9.337 7.670 ( -0.612 4.995 0.967) 5.125 7.685 ( 0.527 5.379 -0.704) 5.450 8.009 ( -3.550 2.400 6.790) 8.029 8.166 ( 5.154 1.826 -10.247) 11.614 8.567 ( 0.270 -4.441 1.166) 4.600 8.589 ( -0.297 -4.154 -1.157) 4.323 8.686 ( -0.928 -0.280 0.814) 1.266 8.705 ( 1.323 -0.459 -1.141) 1.806 9.002 ( -1.102 0.190 2.576) 2.808 9.030 ( -0.813 -0.386 0.927) 1.292 9.151 ( -4.416 -2.869 8.755) 10.217 9.329 ( 4.666 -4.577 -9.034) 11.150 9.855 ( 0.572 3.153 2.660) 4.165 9.895 ( -0.744 1.716 -1.150) 2.196 9.927 ( -1.731 1.919 -0.523) 2.637 9.934 ( 1.731 3.019 -1.229) 3.691 10.257 ( 0.640 1.178 0.919) 1.626 10.275 ( -0.648 1.482 -0.998) 1.901 10.593 ( -1.589 -0.437 0.539) 1.734 10.604 ( 1.685 0.592 -0.584) 1.879 10.720 ( 3.115 -0.254 1.003) 3.283 10.736 ( -3.008 -0.699 -0.674) 3.161 11.083 ( -1.471 1.260 0.434) 1.985 11.095 ( 2.179 1.467 -0.839) 2.758 11.316 ( -1.070 -3.804 2.973) 4.945 11.369 ( -0.783 -4.627 -2.807) 5.468 11.403 ( 0.273 -2.522 1.525) 2.960 11.431 ( 0.204 -2.390 -1.430) 2.792 11.851 ( 1.871 0.628 2.583) 3.250 11.905 ( -1.641 0.550 -3.243) 3.676 12.146 ( 0.354 -3.342 2.450) 4.159 12.184 ( -0.193 -3.506 -1.689) 3.897 13.034 ( 0.688 3.118 2.861) 4.287 13.092 ( -0.890 3.017 -3.250) 4.523 13.370 ( 1.714 0.759 3.772) 4.212 13.436 ( -1.442 0.308 -3.348) 3.658 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 6.934 11.133 -4.126) 13.749 0.701 ( 7.811 10.896 -1.248) 13.465 0.809 ( 1.135 5.952 4.933) 7.813 0.923 ( 2.646 7.998 3.762) 9.226 1.052 ( 0.729 3.446 -0.423) 3.547 1.121 ( 0.322 -0.019 0.727) 0.795 1.156 ( -0.519 2.908 -1.056) 3.137 1.278 ( 2.603 2.420 1.746) 3.960 1.331 ( -1.759 -0.096 -0.987) 2.019 1.372 ( -0.860 2.379 2.352) 3.454 1.440 ( 4.388 -0.892 3.376) 5.608 1.522 ( 3.211 1.358 -4.557) 5.738 1.543 ( 1.283 4.845 1.118) 5.135 1.644 ( 9.971 3.471 -9.022) 13.888 1.682 ( 0.834 -1.681 1.645) 2.496 1.754 ( 5.622 1.947 1.385) 6.109 1.853 ( -1.972 -2.588 0.560) 3.302 1.877 ( -0.001 -3.245 -0.947) 3.381 2.084 ( -3.448 0.370 1.322) 3.712 2.228 ( 3.413 -0.272 2.242) 4.093 2.418 ( -1.450 1.047 3.946) 4.333 2.466 ( 0.396 1.250 -0.539) 1.418 2.635 ( -1.642 -4.412 0.315) 4.718 2.681 ( 0.715 -4.905 -1.978) 5.337 2.861 ( -6.217 6.275 -1.680) 8.991 2.900 ( -3.199 1.377 -1.777) 3.910 3.048 ( -5.529 -1.931 0.939) 5.931 3.064 ( -1.025 -3.803 1.627) 4.261 3.178 ( -7.683 -1.541 -2.024) 8.093 3.261 ( -3.705 0.491 -2.287) 4.382 3.417 ( 3.677 -3.169 0.968) 4.950 3.437 ( 2.583 -2.965 0.824) 4.018 3.524 ( -0.809 1.197 1.556) 2.123 3.736 ( 4.345 -3.307 -2.281) 5.918 3.892 ( -1.452 -5.316 -0.190) 5.514 4.037 ( 0.245 -3.554 0.752) 3.641 4.152 ( 0.439 1.765 -1.542) 2.384 4.208 ( 2.573 0.201 1.553) 3.012 4.502 ( -4.489 0.038 4.209) 6.154 4.633 ( 2.269 1.267 -2.749) 3.783 5.173 ( -1.251 -10.002 -1.582) 10.203 5.195 ( 0.015 -9.393 1.512) 9.514 7.670 ( 0.139 5.172 0.459) 5.195 7.702 ( 1.505 5.139 -0.275) 5.361 8.001 ( -4.059 2.492 6.887) 8.374 8.160 ( 4.249 1.836 -10.052) 11.067 8.585 ( 1.155 -4.343 -0.490) 4.521 8.598 ( 1.685 -4.167 0.500) 4.523 8.671 ( -0.930 0.186 0.485) 1.065 8.721 ( 1.334 -0.743 -1.260) 1.980 9.006 ( -1.073 0.119 2.712) 2.919 9.028 ( -0.544 -0.460 1.331) 1.509 9.150 ( -4.135 -2.920 8.361) 9.774 9.333 ( 4.704 -4.302 -9.012) 11.039 9.880 ( 1.068 2.410 -2.135) 3.392 9.894 ( 0.510 3.706 2.512) 4.507 9.930 ( 3.496 1.542 0.031) 3.821 9.990 ( 4.320 2.100 -0.087) 4.804 10.262 ( 0.440 0.554 -0.263) 0.755 10.293 ( 1.299 2.007 0.302) 2.409 10.523 ( -3.346 -0.135 -0.243) 3.358 10.650 ( -3.783 -0.648 0.298) 3.850 10.671 ( 2.615 0.263 -0.510) 2.678 10.795 ( 0.641 0.339 -0.342) 0.802 11.019 ( -1.180 0.207 1.426) 1.862 11.094 ( -1.612 0.764 -1.596) 2.394 11.336 ( -0.979 -2.906 -0.430) 3.097 11.369 ( 2.206 -4.874 2.419) 5.871 11.443 ( 2.726 -1.681 1.458) 3.519 11.455 ( 3.316 -2.661 -1.880) 4.649 11.832 ( -2.557 0.831 -2.339) 3.563 11.895 ( -0.073 0.469 2.098) 2.151 12.136 ( -2.710 -3.360 -1.120) 4.460 12.154 ( -1.867 -2.872 0.818) 3.522 13.033 ( -2.233 2.599 -2.443) 4.208 13.060 ( -1.098 2.772 2.789) 4.082 13.359 ( -3.205 0.707 -3.671) 4.924 13.412 ( -0.731 0.344 3.213) 3.313 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 9.660 8.395 -4.925) 13.713 0.839 ( 6.476 8.037 1.252) 10.397 0.941 ( 4.434 -0.768 4.939) 6.682 1.022 ( 4.526 4.970 5.503) 8.687 1.070 ( -0.041 1.674 -0.835) 1.871 1.105 ( 1.099 3.666 2.072) 4.352 1.184 ( 1.911 1.894 -0.201) 2.698 1.278 ( -0.810 0.249 -2.773) 2.900 1.334 ( 1.363 2.834 2.524) 4.032 1.383 ( -1.008 2.170 2.993) 3.832 1.505 ( 1.161 2.093 -4.555) 5.145 1.520 ( 2.794 0.914 1.106) 3.141 1.579 ( 1.117 3.393 0.505) 3.608 1.699 ( 0.196 0.719 0.790) 1.086 1.782 ( 3.019 -2.384 -5.961) 7.095 1.809 ( 6.127 1.123 -4.243) 7.537 1.847 ( -1.787 0.476 0.980) 2.093 2.009 ( 14.786 2.521 2.477) 15.203 2.125 ( 8.512 2.211 2.224) 9.072 2.304 ( 2.284 -0.541 1.711) 2.905 2.407 ( -2.228 -0.014 -0.308) 2.249 2.472 ( -2.297 0.298 4.451) 5.018 2.592 ( -4.412 0.474 -0.425) 4.458 2.655 ( -0.393 -2.913 -3.861) 4.852 2.719 ( -6.461 2.130 0.021) 6.803 2.787 ( -4.647 0.522 -2.696) 5.398 2.883 ( -7.636 -3.349 -4.462) 9.457 3.054 ( -4.537 -3.158 1.174) 5.651 3.088 ( -1.665 -1.837 2.379) 3.436 3.208 ( -1.049 2.672 0.215) 2.879 3.415 ( -0.789 -5.411 0.628) 5.504 3.522 ( 4.308 -2.973 -0.806) 5.296 3.559 ( 1.061 -0.218 0.733) 1.308 3.744 ( 0.175 0.159 -0.644) 0.686 3.856 ( -5.900 -1.336 -4.502) 7.540 3.960 ( -6.345 0.404 3.900) 7.459 4.174 ( 3.257 -6.088 -1.342) 7.034 4.306 ( 4.731 -1.379 1.152) 5.061 4.471 ( -2.881 -0.114 4.498) 5.343 4.635 ( 1.101 2.698 -3.209) 4.335 5.144 ( -0.607 -10.994 -0.670) 11.031 5.202 ( -0.401 -9.685 0.806) 9.726 7.683 ( 0.810 5.070 0.223) 5.139 7.725 ( 1.003 5.193 -0.158) 5.291 7.989 ( -4.094 2.599 6.970) 8.491 8.143 ( 3.862 1.886 -9.808) 10.709 8.615 ( 2.396 -3.519 -0.172) 4.260 8.631 ( 0.984 -3.376 0.442) 3.544 8.673 ( 0.807 -1.166 0.505) 1.506 8.727 ( 1.004 -0.492 -1.834) 2.148 9.012 ( -1.086 -0.126 2.981) 3.175 9.035 ( -0.186 -0.652 1.675) 1.807 9.151 ( -3.903 -2.759 7.958) 9.283 9.336 ( 4.511 -3.914 -9.006) 10.806 9.899 ( 3.174 2.890 -2.400) 4.918 9.941 ( 3.127 3.479 1.519) 4.919 10.027 ( 5.952 1.611 1.390) 6.321 10.080 ( 5.523 1.406 0.013) 5.699 10.264 ( -2.629 1.866 0.577) 3.275 10.284 ( -1.017 1.317 -0.604) 1.770 10.481 ( -1.207 -0.441 -0.414) 1.350 10.594 ( -2.486 -1.727 0.226) 3.035 10.668 ( -2.616 0.696 -0.286) 2.723 10.744 ( -4.056 2.970 0.856) 5.100 11.063 ( 1.937 -1.343 -2.400) 3.364 11.122 ( 7.965 -1.396 2.188) 8.377 11.310 ( -1.892 -3.385 0.632) 3.929 11.398 ( -0.624 -3.455 0.410) 3.535 11.489 ( 2.836 -1.852 -3.022) 4.539 11.518 ( 3.120 -1.463 1.519) 3.766 11.786 ( -1.358 0.342 -0.252) 1.423 11.890 ( -2.137 0.525 1.663) 2.758 12.061 ( -3.459 -2.324 -2.037) 4.639 12.112 ( -3.435 -2.077 0.760) 4.086 12.973 ( -2.174 1.632 -1.609) 3.159 13.042 ( -3.439 1.110 2.173) 4.217 13.276 ( -2.233 1.749 -2.476) 3.765 13.400 ( -2.980 0.305 1.884) 3.539 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 11.117 4.561 2.101) 12.198 0.938 ( 1.149 1.853 4.782) 5.255 1.002 ( 1.127 -0.553 0.096) 1.259 1.059 ( 1.193 1.240 -0.779) 1.889 1.136 ( 1.127 0.987 3.570) 3.871 1.172 ( 4.111 -0.671 -0.647) 4.215 1.234 ( 2.860 2.491 1.248) 3.992 1.255 ( -0.228 0.385 -0.028) 0.449 1.360 ( -0.376 1.555 0.691) 1.742 1.397 ( -2.260 3.484 6.446) 7.668 1.498 ( 3.043 4.470 -4.223) 6.861 1.538 ( -3.240 0.127 -1.886) 3.751 1.626 ( 4.647 4.296 0.963) 6.402 1.688 ( -2.058 4.055 -0.042) 4.548 1.737 ( -1.035 -1.361 -0.473) 1.774 1.831 ( -0.846 3.162 1.589) 3.639 1.881 ( 4.758 2.432 -4.005) 6.677 2.125 ( -3.640 0.290 -7.823) 8.633 2.313 ( 0.223 -0.507 -1.684) 1.773 2.415 ( 7.631 3.602 -1.069) 8.506 2.421 ( 10.590 3.163 0.896) 11.089 2.469 ( -0.605 0.119 3.031) 3.093 2.517 ( 0.090 -1.887 3.836) 4.276 2.602 ( -0.781 1.531 0.581) 1.814 2.675 ( 2.831 -0.792 -3.138) 4.300 2.727 ( -3.233 0.580 -1.843) 3.767 2.792 ( 3.718 -6.142 -0.935) 7.240 3.000 ( -3.058 -5.207 2.126) 6.402 3.059 ( -1.551 -0.754 -1.108) 2.049 3.213 ( 0.253 1.532 2.194) 2.688 3.381 ( -10.260 -3.344 -1.071) 10.844 3.481 ( -4.535 -2.072 0.662) 5.030 3.550 ( -3.909 0.146 -0.226) 3.918 3.712 ( 0.010 -1.850 -4.264) 4.648 3.761 ( -0.379 2.770 3.080) 4.159 3.873 ( -4.924 2.053 1.189) 5.466 4.243 ( 3.960 -6.845 0.237) 7.912 4.351 ( 0.402 -2.576 -1.106) 2.832 4.489 ( 0.149 -0.165 4.317) 4.323 4.622 ( 0.760 1.217 -3.342) 3.637 5.142 ( 0.451 -11.262 0.371) 11.277 5.195 ( -0.702 -10.270 -0.111) 10.295 7.700 ( 0.846 5.063 0.233) 5.138 7.732 ( -0.018 5.209 -0.235) 5.214 7.980 ( -3.877 2.675 7.005) 8.442 8.129 ( 4.425 1.967 -9.709) 10.849 8.639 ( -0.310 -0.412 1.499) 1.585 8.663 ( 2.403 -3.832 -0.494) 4.550 8.691 ( 0.636 -3.672 -0.105) 3.728 8.732 ( 1.339 -0.493 -1.808) 2.303 9.020 ( -1.192 -0.456 3.168) 3.415 9.049 ( 0.097 -0.793 1.479) 1.681 9.152 ( -3.918 -2.453 7.891) 9.146 9.335 ( 4.326 -3.625 -9.033) 10.652 9.944 ( 4.295 3.403 -2.385) 5.977 10.037 ( 5.464 2.700 2.013) 6.419 10.124 ( -2.586 3.121 -0.352) 4.068 10.177 ( 4.343 0.990 1.213) 4.617 10.193 ( 2.936 2.129 -0.484) 3.659 10.263 ( -2.490 0.187 0.091) 2.498 10.447 ( -2.762 -0.057 0.799) 2.876 10.549 ( -3.758 -1.146 0.612) 3.976 10.631 ( -0.305 0.861 -0.764) 1.191 10.678 ( -3.233 3.239 0.390) 4.593 11.117 ( 5.218 -2.306 -1.025) 5.796 11.280 ( -2.100 -4.369 0.662) 4.893 11.300 ( 8.258 -3.263 1.974) 9.096 11.377 ( -0.795 -3.090 -0.593) 3.245 11.485 ( 0.024 0.000 -2.807) 2.807 11.584 ( 2.691 -1.069 1.005) 3.065 11.749 ( -3.512 -0.112 0.721) 3.587 11.849 ( -3.254 0.806 -0.308) 3.367 11.999 ( -1.285 -1.748 -0.643) 2.263 12.060 ( -2.418 -1.506 0.073) 2.850 12.935 ( -0.670 1.198 -0.770) 1.574 12.985 ( -3.884 0.501 0.919) 4.022 13.246 ( 0.292 1.774 -0.481) 1.861 13.347 ( -3.696 0.402 0.385) 3.738 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.831 0.483 4.190) 4.299 1.000 ( -0.607 -0.357 0.752) 1.030 1.057 ( 0.302 0.111 1.783) 1.811 1.085 ( 1.018 0.670 -0.896) 1.513 1.190 ( 2.091 -0.971 1.009) 2.516 1.209 ( -0.665 -1.060 -1.480) 1.938 1.256 ( -1.717 0.592 4.825) 5.155 1.288 ( 2.171 1.865 1.499) 3.231 1.354 ( -3.621 2.275 1.829) 4.651 1.355 ( -0.628 2.098 -0.075) 2.192 1.445 ( -2.920 -1.294 -0.128) 3.196 1.548 ( 6.939 4.343 -5.942) 10.115 1.642 ( -2.277 6.150 0.997) 6.633 1.683 ( 1.614 4.628 -3.266) 5.890 1.759 ( 0.163 1.462 6.034) 6.211 1.825 ( -1.123 5.028 -0.912) 5.232 1.923 ( 2.217 4.589 -1.579) 5.335 1.977 ( -3.751 2.313 -6.616) 7.950 2.291 ( 0.685 -0.067 1.338) 1.505 2.338 ( -0.711 0.926 -3.368) 3.565 2.513 ( -1.604 -1.235 4.312) 4.763 2.549 ( 2.938 -0.102 1.381) 3.249 2.603 ( 1.765 -4.800 1.103) 5.232 2.652 ( -0.207 -2.218 -3.191) 3.891 2.694 ( -3.930 1.895 0.118) 4.365 2.717 ( 2.799 1.743 -2.515) 4.147 2.969 ( 1.300 -5.980 3.271) 6.939 2.987 ( 7.103 -2.054 1.480) 7.541 3.035 ( -13.862 1.526 -1.530) 14.029 3.042 ( 1.216 -0.276 -2.540) 2.830 3.296 ( 6.455 1.810 3.380) 7.508 3.376 ( -3.480 2.843 -4.642) 6.461 3.564 ( 1.861 -6.377 5.339) 8.523 3.659 ( -2.012 -4.015 -4.647) 6.463 3.789 ( -0.542 2.807 3.662) 4.646 3.847 ( 1.548 3.613 -1.957) 4.391 4.300 ( 1.438 -4.398 1.218) 4.785 4.324 ( -1.709 -3.502 -1.395) 4.139 4.529 ( -0.363 -0.812 3.967) 4.065 4.599 ( 0.156 -0.106 -3.561) 3.566 5.161 ( 0.921 -10.968 0.863) 11.041 5.176 ( -0.874 -10.662 -0.721) 10.722 7.715 ( 0.205 5.119 0.481) 5.146 7.724 ( -0.278 5.180 -0.444) 5.207 7.975 ( -3.556 2.650 6.917) 8.217 8.128 ( 5.077 2.026 -9.736) 11.166 8.646 ( -0.538 -0.573 1.671) 1.846 8.675 ( 0.451 -2.728 -1.182) 3.007 8.710 ( 0.545 -3.504 0.632) 3.602 8.727 ( -0.514 -1.597 -1.530) 2.271 9.024 ( -1.501 -0.724 3.140) 3.555 9.060 ( 0.094 -0.823 0.499) 0.967 9.152 ( -4.189 -2.229 8.533) 9.764 9.331 ( 4.328 -3.533 -9.120) 10.695 10.004 ( -5.597 3.716 0.224) 6.722 10.021 ( 5.002 3.829 -1.500) 6.475 10.158 ( 4.897 1.607 1.914) 5.498 10.184 ( -4.468 1.299 -0.958) 4.751 10.248 ( -0.746 0.996 0.396) 1.306 10.255 ( 0.665 1.010 -0.317) 1.250 10.444 ( 2.745 0.201 2.285) 3.578 10.475 ( -2.547 0.292 -0.994) 2.750 10.632 ( -0.469 1.193 0.595) 1.413 10.648 ( 0.381 1.750 -0.983) 2.043 11.208 ( 3.223 -3.341 1.199) 4.795 11.232 ( -2.767 -3.629 -1.181) 4.714 11.365 ( -0.993 -2.530 0.057) 2.718 11.370 ( -0.271 -3.287 -0.271) 3.309 11.535 ( 5.312 -2.039 1.504) 5.885 11.567 ( -4.749 -1.647 -1.657) 5.293 11.737 ( 2.676 1.603 2.016) 3.715 11.775 ( -2.778 1.183 -2.082) 3.668 12.010 ( 1.651 -1.668 0.686) 2.445 12.023 ( -1.323 -1.537 -0.732) 2.156 12.935 ( -1.441 1.194 0.321) 1.899 12.942 ( 1.498 1.240 -0.325) 1.972 13.274 ( 2.578 0.751 0.649) 2.762 13.286 ( -2.579 0.631 -0.627) 2.728 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -13.384 4.494 2.423) 14.325 0.964 ( -6.595 1.314 0.156) 6.726 1.018 ( -1.098 -0.950 -0.389) 1.503 1.051 ( 0.216 0.624 -1.064) 1.252 1.154 ( -0.934 -0.364 -0.096) 1.008 1.177 ( -1.911 -0.074 -0.057) 1.913 1.240 ( -1.770 1.851 0.496) 2.609 1.286 ( -1.261 0.780 -1.632) 2.205 1.349 ( 0.448 -1.023 1.865) 2.174 1.379 ( -2.963 2.013 3.821) 5.237 1.515 ( 4.989 -1.608 0.035) 5.242 1.577 ( -0.580 2.870 -2.679) 3.969 1.625 ( 1.176 6.702 -4.443) 8.126 1.678 ( 0.986 2.997 0.677) 3.226 1.750 ( -2.725 4.403 -1.273) 5.332 1.861 ( -5.044 4.241 -2.413) 7.018 1.872 ( 5.308 3.935 0.265) 6.613 1.943 ( 0.390 1.988 8.070) 8.320 2.291 ( -1.072 -0.766 -0.222) 1.336 2.407 ( -4.339 5.441 0.093) 6.960 2.437 ( -11.337 0.943 -0.957) 11.417 2.510 ( -0.421 1.502 -1.269) 2.011 2.575 ( -5.237 1.363 3.098) 6.236 2.605 ( 0.849 -3.903 -4.341) 5.899 2.636 ( 1.692 0.293 1.170) 2.078 2.701 ( 5.636 -0.351 0.358) 5.658 2.809 ( -5.128 -5.170 -1.813) 7.504 3.008 ( 0.962 -4.325 3.295) 5.522 3.041 ( 3.424 -4.302 -1.647) 5.740 3.224 ( 2.275 1.251 1.356) 2.929 3.378 ( 6.902 -2.354 -0.532) 7.312 3.472 ( 7.681 1.307 -0.177) 7.794 3.586 ( 0.603 -4.692 -1.770) 5.051 3.643 ( 0.611 -0.941 1.841) 2.156 3.781 ( -2.361 3.011 1.030) 3.963 3.911 ( 8.674 1.597 -2.501) 9.168 4.251 ( -4.883 -5.747 -0.619) 7.566 4.330 ( -0.010 -2.970 1.203) 3.204 4.538 ( -1.796 0.139 2.822) 3.348 4.575 ( 0.299 0.620 -2.198) 2.303 5.153 ( -0.823 -10.854 -0.764) 10.912 5.188 ( 1.150 -10.343 0.664) 10.428 7.704 ( -0.957 4.818 -0.120) 4.914 7.726 ( -0.078 5.495 0.322) 5.505 7.977 ( -2.921 2.515 6.745) 7.769 8.136 ( 5.436 2.037 -9.855) 11.437 8.642 ( -1.501 -3.086 0.975) 3.567 8.680 ( 0.567 -2.002 0.062) 2.082 8.686 ( -1.592 -1.016 -1.767) 2.586 8.710 ( -1.360 -2.119 0.684) 2.609 9.021 ( -1.845 -0.800 2.854) 3.491 9.060 ( -0.241 -0.716 -0.188) 0.778 9.153 ( -4.559 -2.267 9.222) 10.534 9.329 ( 4.516 -3.713 -9.194) 10.896 9.911 ( -4.543 3.788 1.170) 6.030 10.064 ( -5.627 2.291 -0.889) 6.140 10.125 ( 2.955 2.999 -0.566) 4.248 10.177 ( -4.704 1.816 1.052) 5.151 10.202 ( -2.869 0.785 -1.194) 3.205 10.258 ( 3.144 0.798 0.560) 3.292 10.465 ( 1.635 0.007 -0.981) 1.907 10.547 ( 3.945 -1.168 0.923) 4.216 10.622 ( 0.643 1.310 0.044) 1.460 10.681 ( 3.720 2.558 0.051) 4.515 11.115 ( -6.745 -2.103 -0.695) 7.100 11.284 ( 2.886 -4.057 0.324) 4.989 11.312 ( -6.034 -3.795 0.523) 7.148 11.379 ( 0.475 -1.369 -0.311) 1.482 11.450 ( -3.046 -0.750 0.288) 3.150 11.595 ( -1.786 -2.291 -0.231) 2.914 11.765 ( 3.323 0.047 -0.965) 3.460 11.829 ( 4.631 1.235 1.659) 5.072 11.998 ( 0.031 -1.805 -0.560) 1.890 12.059 ( 2.985 -1.591 0.115) 3.385 12.926 ( 0.505 1.568 0.159) 1.655 12.996 ( 4.164 0.807 -0.201) 4.246 13.248 ( -0.827 1.395 -0.715) 1.773 13.344 ( 4.186 0.210 0.649) 4.241 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -13.613 7.767 1.413) 15.736 0.801 ( -11.466 7.934 3.765) 14.443 1.005 ( -1.434 -1.020 -2.349) 2.935 1.051 ( -2.006 2.140 0.775) 3.034 1.107 ( -1.891 0.160 -3.258) 3.770 1.159 ( -0.473 2.665 -1.524) 3.106 1.187 ( -2.452 3.342 -0.127) 4.147 1.256 ( -1.433 0.789 -0.975) 1.904 1.354 ( -2.655 2.312 1.222) 3.726 1.379 ( -1.419 -0.950 5.865) 6.108 1.476 ( -4.273 2.524 -1.396) 5.156 1.515 ( -4.555 3.039 0.161) 5.479 1.604 ( 0.774 3.569 -4.324) 5.660 1.670 ( -8.100 5.371 2.266) 9.979 1.713 ( 0.011 4.845 0.097) 4.846 1.790 ( 1.288 -1.704 0.531) 2.201 1.882 ( 1.150 -1.282 -3.313) 3.734 2.023 ( -8.267 2.798 1.117) 8.799 2.166 ( -6.444 1.810 -1.548) 6.870 2.278 ( 2.912 -0.283 6.228) 6.881 2.393 ( 2.585 -0.246 -0.063) 2.597 2.557 ( -0.868 -5.453 -4.804) 7.319 2.596 ( 1.887 -2.422 1.548) 3.439 2.602 ( 4.091 3.105 -0.618) 5.173 2.708 ( 3.242 -0.957 1.307) 3.624 2.747 ( 2.874 -0.722 -0.443) 2.996 2.843 ( 8.024 0.321 0.897) 8.080 3.054 ( 2.698 -3.375 1.528) 4.583 3.114 ( 4.177 -1.864 -0.767) 4.638 3.229 ( -0.615 3.952 -1.881) 4.420 3.405 ( -0.652 -4.905 1.804) 5.267 3.493 ( -4.551 -1.867 1.929) 5.284 3.589 ( -0.678 -2.593 -2.659) 3.775 3.727 ( -0.641 -0.284 1.412) 1.576 3.794 ( 7.769 -0.148 2.170) 8.068 4.040 ( 5.778 0.160 -4.751) 7.483 4.156 ( -3.498 -6.600 0.747) 7.507 4.317 ( -2.350 -0.658 0.090) 2.442 4.538 ( 0.439 0.383 0.553) 0.803 4.567 ( -0.529 2.103 0.807) 2.314 5.139 ( -0.116 -10.997 -0.121) 10.998 5.211 ( 1.107 -9.631 -0.161) 9.696 7.686 ( -0.957 4.687 -0.033) 4.784 7.719 ( -1.081 5.646 0.421) 5.764 7.990 ( -2.347 2.374 6.620) 7.414 8.147 ( 5.669 1.983 -10.018) 11.680 8.603 ( -2.999 -4.377 0.610) 5.341 8.653 ( -0.919 -3.066 -1.254) 3.437 8.680 ( -0.788 -0.761 -0.199) 1.113 8.699 ( 0.100 -0.062 0.826) 0.834 9.010 ( -1.929 -0.536 2.620) 3.298 9.051 ( -0.585 -0.529 -0.108) 0.796 9.153 ( -4.709 -2.499 9.402) 10.808 9.329 ( 4.579 -4.147 -9.194) 11.076 9.858 ( -2.931 3.469 1.868) 4.910 9.962 ( -3.995 2.879 -0.918) 5.009 10.052 ( -5.534 1.246 -0.601) 5.704 10.081 ( -5.362 1.839 -0.326) 5.678 10.268 ( 4.150 2.489 0.325) 4.850 10.282 ( -0.157 0.732 -0.587) 0.952 10.483 ( 1.283 -0.346 -0.611) 1.463 10.580 ( 0.669 -1.327 1.382) 2.030 10.674 ( 4.046 -0.113 -0.714) 4.110 10.762 ( 3.555 3.119 -0.877) 4.810 11.021 ( -2.420 -1.144 1.776) 3.212 11.162 ( -7.732 -1.514 -1.789) 8.080 11.329 ( 1.805 -3.429 -1.198) 4.055 11.393 ( 0.878 -2.973 0.864) 3.218 11.434 ( -2.182 -1.563 2.688) 3.798 11.535 ( -3.249 -1.551 -0.488) 3.633 11.796 ( 0.567 -0.440 -1.147) 1.353 11.913 ( 3.487 0.558 -0.512) 3.569 12.025 ( 2.478 -2.040 1.472) 3.532 12.122 ( 3.817 -2.079 -0.301) 4.357 12.952 ( 1.734 1.657 0.634) 2.481 13.073 ( 4.458 0.269 -0.995) 4.576 13.246 ( 0.874 2.582 0.582) 2.787 13.422 ( 3.810 0.153 -0.416) 3.835 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -7.755 11.955 5.887) 15.418 0.658 ( -7.664 14.692 4.852) 17.267 0.874 ( -5.496 8.919 -3.061) 10.914 1.014 ( -7.055 4.404 -2.016) 8.557 1.048 ( 0.911 -1.008 -0.664) 1.512 1.145 ( -2.828 3.010 -1.761) 4.490 1.149 ( 0.544 3.265 0.096) 3.311 1.217 ( -3.831 1.111 7.933) 8.880 1.295 ( -4.249 3.016 0.485) 5.233 1.373 ( -4.618 2.632 7.026) 8.810 1.449 ( 1.949 -0.139 -1.112) 2.249 1.458 ( -1.969 2.527 0.959) 3.344 1.556 ( -1.896 3.590 -1.802) 4.442 1.599 ( 0.493 2.786 -3.247) 4.307 1.696 ( -1.384 0.832 -0.748) 1.780 1.821 ( -0.190 -5.118 -2.671) 5.776 1.878 ( -1.238 0.361 -1.659) 2.101 1.888 ( -0.051 -1.748 -2.320) 2.905 2.107 ( 0.951 0.019 -1.136) 1.482 2.278 ( -3.703 -1.990 -2.683) 4.987 2.429 ( -1.163 -1.502 -1.551) 2.452 2.545 ( 1.539 -1.798 -3.321) 4.077 2.633 ( 2.067 -2.102 0.031) 2.948 2.646 ( 1.372 -4.460 1.410) 4.875 2.827 ( 5.370 -1.923 6.370) 8.551 2.848 ( 6.017 5.773 -0.388) 8.348 2.989 ( 5.193 0.021 2.590) 5.803 3.124 ( 0.683 1.010 -1.155) 1.679 3.137 ( 4.736 -0.095 1.982) 5.135 3.229 ( 1.524 1.410 -0.231) 2.090 3.405 ( -3.035 -4.197 4.181) 6.657 3.461 ( -0.967 -5.109 -2.851) 5.930 3.543 ( 0.965 1.915 0.029) 2.145 3.706 ( -2.867 -3.083 0.325) 4.223 3.874 ( -0.775 -5.783 1.457) 6.014 4.055 ( 0.817 -3.789 -0.800) 3.958 4.154 ( 1.292 2.784 -1.692) 3.505 4.254 ( -2.458 -0.080 -2.806) 3.731 4.557 ( -1.389 1.617 3.801) 4.358 4.572 ( 1.961 -0.344 -1.742) 2.645 5.149 ( 0.722 -10.610 0.948) 10.677 5.221 ( 0.530 -9.112 -1.197) 9.205 7.673 ( -0.548 4.703 0.309) 4.745 7.698 ( -1.250 5.673 0.057) 5.810 8.005 ( -2.715 2.341 6.662) 7.565 8.159 ( 5.675 1.884 -10.189) 11.814 8.568 ( -1.455 -4.453 0.877) 4.766 8.617 ( -1.554 -3.898 -1.041) 4.323 8.679 ( 0.658 -0.142 -0.117) 0.683 8.705 ( -0.182 -0.345 0.200) 0.438 9.002 ( -1.540 -0.022 2.631) 3.048 9.039 ( -0.799 -0.414 0.379) 0.977 9.152 ( -4.586 -2.720 9.162) 10.600 9.328 ( 4.498 -4.539 -9.138) 11.150 9.838 ( -1.164 3.140 2.172) 3.991 9.912 ( -1.141 2.671 -0.169) 2.909 9.959 ( -3.040 2.239 -2.046) 4.294 9.993 ( -4.145 1.669 -0.321) 4.480 10.256 ( -1.249 0.589 0.253) 1.404 10.301 ( -0.577 2.373 -0.475) 2.488 10.524 ( 3.864 -0.197 -0.421) 3.892 10.622 ( 1.764 -1.130 1.988) 2.888 10.692 ( -1.465 0.460 -1.541) 2.176 10.785 ( -0.094 0.217 0.567) 0.614 11.049 ( -0.473 -0.190 -0.985) 1.109 11.069 ( 2.850 1.135 0.484) 3.106 11.330 ( -0.987 -1.888 0.300) 2.151 11.401 ( -1.581 -3.553 2.216) 4.476 11.409 ( -1.321 -4.892 -0.930) 5.152 11.477 ( -2.755 -1.763 -1.293) 3.517 11.800 ( 1.094 0.813 0.966) 1.670 11.939 ( 0.985 0.252 -2.574) 2.767 12.095 ( 2.497 -2.738 2.626) 4.542 12.176 ( 2.382 -2.937 -0.909) 3.889 12.992 ( 1.491 2.353 1.732) 3.280 13.115 ( 1.691 1.694 -2.801) 3.685 13.295 ( 2.549 1.927 3.002) 4.384 13.461 ( 1.500 0.222 -2.018) 2.524 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -0.683 6.374 6.973) 9.471 0.826 ( 0.836 4.022 -4.629) 6.189 0.951 ( -5.324 7.766 5.509) 10.909 1.039 ( 3.101 2.788 -2.522) 4.873 1.118 ( -0.783 4.620 2.114) 5.141 1.176 ( -0.142 4.445 -3.174) 5.464 1.259 ( -0.006 1.668 2.414) 2.934 1.281 ( 1.169 4.835 -0.357) 4.987 1.320 ( -1.657 1.807 4.295) 4.945 1.402 ( -2.224 1.110 1.347) 2.827 1.432 ( -0.692 -0.143 -3.074) 3.154 1.495 ( 4.023 0.188 -5.111) 6.507 1.597 ( -1.125 -1.265 1.787) 2.462 1.650 ( 1.371 3.430 0.795) 3.779 1.672 ( 2.936 1.810 -3.998) 5.280 1.699 ( -0.256 -0.304 -4.156) 4.175 1.904 ( 0.079 8.222 2.471) 8.585 1.944 ( -0.658 6.510 -1.252) 6.662 2.164 ( 1.529 1.795 0.951) 2.543 2.179 ( -2.431 1.181 -0.696) 2.791 2.414 ( -0.736 0.217 5.085) 5.142 2.491 ( -0.802 -5.460 -2.131) 5.916 2.525 ( 0.455 -6.373 -0.094) 6.390 2.531 ( 1.087 -3.362 -0.434) 3.560 2.857 ( -1.708 -3.270 3.599) 5.154 2.914 ( 1.299 -2.131 -2.785) 3.739 3.089 ( 0.069 -9.683 5.924) 11.352 3.142 ( -0.395 1.250 1.290) 1.839 3.216 ( 2.731 -3.428 -2.447) 5.020 3.266 ( -1.848 6.881 -5.256) 8.854 3.347 ( -1.368 -0.276 4.095) 4.327 3.397 ( 0.104 2.541 -0.602) 2.613 3.557 ( 0.569 0.992 0.068) 1.146 3.590 ( 0.623 -0.790 -2.502) 2.697 3.854 ( 2.775 -0.893 4.562) 5.413 3.924 ( -2.998 -2.321 -2.719) 4.666 4.214 ( -1.066 0.151 -1.767) 2.069 4.219 ( 1.265 0.980 -2.127) 2.662 4.526 ( -3.257 -5.027 0.567) 6.016 4.528 ( 2.139 -7.968 0.294) 8.255 4.927 ( 1.272 -11.572 3.418) 12.133 4.982 ( -0.661 -10.538 -2.451) 10.839 7.816 ( -0.186 9.004 1.282) 9.097 7.839 ( 0.107 9.267 -1.106) 9.333 8.077 ( -2.927 4.062 5.779) 7.646 8.208 ( 4.175 1.779 -8.296) 9.457 8.442 ( 0.358 -7.680 1.345) 7.805 8.467 ( -0.454 -7.613 -1.346) 7.744 8.676 ( -0.495 -0.613 0.551) 0.961 8.689 ( 0.772 -0.951 -0.838) 1.484 9.000 ( -1.927 -0.770 4.096) 4.591 9.020 ( -1.029 -0.218 1.686) 1.987 9.089 ( -1.941 -2.519 3.642) 4.835 9.209 ( 3.658 -6.573 -6.932) 10.229 9.923 ( 0.980 2.717 0.775) 2.991 9.936 ( -0.394 2.189 -0.685) 2.327 9.987 ( -2.008 4.044 1.418) 4.733 10.018 ( 1.249 4.128 -1.517) 4.572 10.289 ( 1.319 2.004 1.247) 2.704 10.316 ( -1.500 2.716 -1.766) 3.570 10.569 ( -1.348 -2.236 2.280) 3.466 10.610 ( 2.815 -0.795 -2.177) 3.646 10.729 ( -4.481 1.437 0.853) 4.783 10.740 ( 3.513 2.267 -0.347) 4.195 11.096 ( 4.730 -2.348 0.123) 5.282 11.107 ( -4.328 -1.462 -0.962) 4.668 11.228 ( -6.062 -2.710 1.168) 6.742 11.246 ( 5.010 -5.409 -0.733) 7.408 11.348 ( 1.547 -2.541 1.740) 3.447 11.381 ( -1.297 -2.527 -1.691) 3.306 11.868 ( 1.127 1.037 2.299) 2.763 11.914 ( -0.985 0.344 -2.565) 2.769 12.066 ( 0.229 -3.959 1.935) 4.413 12.099 ( -0.268 -4.297 -1.655) 4.612 13.109 ( 0.822 3.714 2.863) 4.761 13.157 ( -0.473 2.827 -2.085) 3.544 13.390 ( 1.044 1.164 2.371) 2.840 13.441 ( -1.291 0.070 -2.960) 3.230 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 3.467 3.154 3.338) 5.754 0.839 ( 4.798 3.666 -2.952) 6.721 0.946 ( -0.979 7.863 5.887) 9.872 1.073 ( 2.027 4.052 -2.481) 5.166 1.128 ( -0.722 2.374 1.106) 2.717 1.170 ( 1.272 4.984 1.144) 5.269 1.223 ( -1.912 3.755 -1.006) 4.332 1.315 ( 0.300 -0.272 -1.953) 1.994 1.355 ( 0.565 2.682 3.256) 4.256 1.420 ( 2.696 1.790 0.772) 3.327 1.422 ( 1.443 -0.358 2.243) 2.691 1.535 ( 3.883 0.065 -6.439) 7.519 1.586 ( 1.137 -3.973 2.309) 4.734 1.662 ( 1.088 3.303 -1.757) 3.896 1.714 ( 4.005 0.588 -2.524) 4.770 1.737 ( 5.425 2.042 -1.965) 6.120 1.932 ( 0.926 7.430 -0.761) 7.526 1.969 ( 4.898 9.164 2.134) 10.608 2.125 ( -0.472 5.041 0.462) 5.084 2.224 ( 2.687 -0.277 0.665) 2.782 2.450 ( -0.805 -3.061 2.489) 4.026 2.456 ( -0.787 1.502 -0.995) 1.966 2.537 ( 1.356 -3.438 0.185) 3.701 2.567 ( 3.432 -4.654 -0.971) 5.863 2.832 ( -3.702 -5.081 -0.397) 6.299 2.910 ( 0.804 -4.514 -0.063) 4.585 3.047 ( -7.150 -3.389 -0.418) 7.924 3.069 ( -10.669 6.937 -3.307) 13.148 3.130 ( -3.338 -7.099 4.938) 9.269 3.265 ( -1.509 6.986 -0.500) 7.164 3.342 ( -2.894 -4.494 2.062) 5.729 3.385 ( 1.839 0.510 -1.094) 2.200 3.597 ( 2.583 6.564 -0.219) 7.058 3.630 ( 6.258 -6.940 -1.663) 9.491 3.837 ( -2.086 -0.160 -1.707) 2.700 3.955 ( 2.131 -3.578 1.802) 4.538 4.160 ( -3.323 -1.266 -0.595) 3.606 4.221 ( 0.013 1.103 0.331) 1.152 4.451 ( -3.532 -7.078 1.444) 8.041 4.620 ( 4.700 -4.803 0.859) 6.775 4.920 ( -2.971 -11.747 -3.069) 12.499 4.963 ( -0.317 -10.830 1.858) 10.993 7.820 ( 0.089 9.096 0.196) 9.099 7.851 ( 1.442 9.062 -0.029) 9.176 8.071 ( -3.400 4.116 5.755) 7.850 8.202 ( 3.343 1.763 -8.182) 9.013 8.461 ( 1.357 -7.584 -0.724) 7.738 8.478 ( 1.884 -7.453 0.861) 7.736 8.670 ( -0.506 -0.228 0.359) 0.661 8.699 ( 1.016 -1.261 -0.887) 1.846 9.002 ( -2.055 -0.838 4.360) 4.892 9.018 ( -0.590 -0.114 1.231) 1.369 9.088 ( -1.803 -2.531 3.719) 4.847 9.218 ( 4.035 -6.478 -6.858) 10.261 9.936 ( 1.849 2.826 -1.156) 3.570 9.970 ( 2.731 2.300 0.055) 3.571 9.993 ( 1.330 4.867 2.500) 5.631 10.050 ( 3.464 3.304 -1.078) 4.907 10.283 ( -0.514 1.728 -0.814) 1.978 10.339 ( 2.170 2.426 1.230) 3.479 10.523 ( -3.398 0.027 -0.029) 3.398 10.609 ( -2.217 -3.297 -1.762) 4.347 10.705 ( 0.948 3.237 1.129) 3.557 10.808 ( 2.544 1.180 -0.698) 2.890 11.006 ( -2.356 -1.988 0.802) 3.185 11.112 ( -5.348 0.135 -0.814) 5.412 11.213 ( 3.644 -7.404 1.628) 8.412 11.290 ( -0.514 -2.966 -0.364) 3.032 11.382 ( 4.160 -2.925 -1.385) 5.270 11.412 ( 3.165 -2.019 1.195) 3.940 11.855 ( -2.169 1.336 -1.608) 3.013 11.905 ( -0.042 0.528 1.407) 1.504 12.058 ( -2.062 -3.873 -0.612) 4.430 12.080 ( -0.991 -3.907 0.659) 4.085 13.097 ( -3.236 3.138 -2.312) 5.066 13.121 ( -2.307 2.718 1.641) 3.925 13.378 ( -2.559 1.072 -2.268) 3.584 13.418 ( -0.833 0.163 2.753) 2.881 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 4.419 2.687 1.128) 5.294 0.920 ( 3.652 0.440 1.553) 3.993 0.991 ( 2.487 8.191 -0.352) 8.567 1.084 ( 0.117 1.592 1.025) 1.896 1.120 ( 1.208 1.769 -1.446) 2.584 1.173 ( -2.201 3.863 1.052) 4.569 1.238 ( 2.463 3.063 1.907) 4.369 1.284 ( -0.960 0.226 -1.745) 2.005 1.399 ( 0.480 2.806 2.242) 3.624 1.425 ( -0.270 1.577 0.513) 1.680 1.477 ( 1.708 -2.918 -0.770) 3.468 1.559 ( 5.668 1.976 -4.029) 7.229 1.652 ( -0.595 -0.449 -1.593) 1.759 1.688 ( 3.101 -2.406 3.537) 5.283 1.747 ( 1.847 0.831 -1.772) 2.691 1.825 ( 5.971 4.888 1.208) 7.811 1.939 ( -0.254 5.669 0.447) 5.692 2.130 ( 9.501 5.505 1.848) 11.136 2.222 ( 8.396 4.917 0.668) 9.752 2.301 ( 6.421 0.163 0.109) 6.424 2.414 ( -0.936 0.734 -1.085) 1.610 2.449 ( -2.069 0.209 0.582) 2.159 2.569 ( 3.688 -2.163 -4.058) 5.895 2.613 ( 1.465 -0.517 0.246) 1.573 2.704 ( -3.726 -6.136 -3.813) 8.129 2.843 ( -12.384 8.769 -0.556) 15.184 2.877 ( -7.278 0.599 -1.725) 7.504 2.983 ( -1.519 -3.875 2.103) 4.663 3.073 ( -4.374 -1.526 7.814) 9.084 3.192 ( -3.497 0.118 -4.023) 5.331 3.298 ( -3.838 -3.047 3.404) 5.967 3.457 ( 4.929 -3.288 -1.043) 6.016 3.627 ( 2.556 6.812 -2.791) 7.793 3.737 ( 5.799 -2.861 -1.773) 6.705 3.826 ( -0.533 -1.010 -0.720) 1.350 3.930 ( -3.454 -2.724 1.318) 4.592 4.079 ( -4.456 -2.519 -1.276) 5.276 4.250 ( 0.980 -3.862 2.301) 4.601 4.427 ( -1.437 -5.454 3.297) 6.533 4.687 ( 1.499 1.317 -0.762) 2.136 4.834 ( -2.569 -17.543 -1.968) 17.839 4.957 ( -1.514 -11.983 0.739) 12.101 7.829 ( 0.839 8.836 -0.126) 8.877 7.875 ( 0.864 9.115 0.209) 9.158 8.061 ( -3.376 4.131 5.733) 7.832 8.186 ( 3.084 1.878 -7.924) 8.708 8.493 ( 2.758 -7.577 -0.845) 8.107 8.524 ( 2.039 -7.179 1.081) 7.541 8.664 ( -0.567 0.026 0.455) 0.728 8.708 ( 1.111 -1.195 -1.150) 1.996 9.005 ( -1.781 -0.661 3.905) 4.343 9.021 ( -0.120 -0.429 0.989) 1.085 9.091 ( -1.881 -2.546 4.347) 5.377 9.229 ( 3.941 -6.089 -6.842) 9.971 9.977 ( 3.747 4.214 -1.459) 5.825 10.024 ( 3.292 4.009 0.742) 5.240 10.076 ( 5.176 2.740 1.758) 6.115 10.119 ( 4.873 2.206 -0.678) 5.391 10.278 ( -0.100 0.619 0.517) 0.813 10.355 ( -2.462 4.466 -0.024) 5.100 10.469 ( -1.573 -0.763 -0.588) 1.845 10.552 ( -2.244 -2.410 -0.443) 3.323 10.699 ( -2.251 2.530 -0.132) 3.389 10.810 ( -1.298 3.402 0.820) 3.732 11.028 ( -1.371 -2.397 -1.974) 3.394 11.073 ( 6.056 -3.307 2.268) 7.263 11.225 ( -2.512 -4.664 0.332) 5.307 11.292 ( 0.075 -5.972 0.466) 5.990 11.449 ( 4.268 -1.602 -2.065) 5.005 11.484 ( 3.678 -1.799 0.998) 4.214 11.807 ( -1.865 1.697 -0.802) 2.646 11.901 ( -1.642 0.519 1.326) 2.173 12.003 ( -2.682 -3.001 -1.451) 4.279 12.056 ( -2.379 -3.125 0.752) 3.999 13.015 ( -3.291 2.202 -1.573) 4.261 13.064 ( -4.559 0.851 0.723) 4.694 13.322 ( -1.924 2.472 -0.975) 3.281 13.405 ( -2.747 0.058 1.627) 3.193 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.951 -0.169 2.908) 3.064 0.988 ( 2.024 0.480 1.273) 2.439 1.030 ( 3.179 4.713 -1.010) 5.774 1.082 ( 0.276 1.055 -0.769) 1.335 1.141 ( 1.567 0.498 -1.448) 2.191 1.169 ( 1.204 0.903 0.732) 1.673 1.255 ( -0.955 0.184 -0.412) 1.056 1.297 ( 1.586 2.992 2.453) 4.181 1.386 ( -0.462 0.765 -2.151) 2.330 1.444 ( -1.116 -0.352 3.268) 3.471 1.511 ( 0.985 -0.101 -1.835) 2.085 1.587 ( 0.355 2.152 -3.853) 4.427 1.633 ( 1.358 -0.598 1.491) 2.104 1.732 ( 1.563 -1.496 -2.314) 3.168 1.764 ( 0.558 2.787 2.136) 3.556 1.940 ( 0.920 5.052 2.153) 5.568 2.013 ( 9.913 10.297 2.545) 14.518 2.181 ( -3.122 3.217 -5.079) 6.775 2.295 ( -1.444 -2.702 3.195) 4.427 2.372 ( -0.385 -4.920 -0.053) 4.935 2.424 ( 3.651 -3.209 1.269) 5.024 2.511 ( 5.500 3.609 -0.561) 6.603 2.591 ( -10.684 4.808 0.233) 11.718 2.626 ( 1.438 0.142 -0.411) 1.502 2.663 ( 3.124 -5.296 -0.220) 6.153 2.737 ( 1.177 3.120 -1.734) 3.759 2.768 ( 7.113 8.873 -0.391) 11.379 2.898 ( -4.869 -2.013 1.879) 5.594 3.068 ( -2.048 2.027 -6.091) 6.739 3.213 ( 6.015 -2.157 7.199) 9.626 3.261 ( -2.753 -3.430 1.593) 4.678 3.455 ( -5.003 -0.108 -1.665) 5.274 3.617 ( -4.409 3.130 -6.628) 8.553 3.702 ( -1.831 3.148 -1.643) 3.995 3.823 ( 1.385 2.569 2.531) 3.863 3.902 ( -4.473 1.002 0.389) 4.600 4.071 ( 5.583 -9.600 0.808) 11.135 4.260 ( -1.139 -5.924 -0.020) 6.033 4.447 ( -0.685 -5.345 4.341) 6.920 4.639 ( -2.378 -1.317 -4.586) 5.332 4.830 ( 0.945 -16.822 1.947) 16.961 4.929 ( -1.663 -13.378 -0.144) 13.481 7.846 ( 1.023 8.731 0.016) 8.791 7.881 ( -0.245 8.947 -0.056) 8.951 8.054 ( -3.197 4.276 5.831) 7.906 8.176 ( 3.675 2.171 -7.880) 8.962 8.534 ( 2.061 -7.676 -0.258) 7.952 8.565 ( 1.335 -7.594 0.487) 7.726 8.658 ( -0.542 0.498 1.028) 1.264 8.716 ( 0.895 -1.017 -1.545) 2.055 9.007 ( -1.581 -0.678 3.301) 3.723 9.031 ( 0.363 -0.778 0.570) 1.031 9.096 ( -2.338 -2.420 5.315) 6.291 9.236 ( 3.613 -5.638 -6.898) 9.613 10.036 ( 4.196 5.024 -1.394) 6.693 10.106 ( 4.533 3.653 1.327) 5.971 10.193 ( 2.019 2.315 -0.840) 3.185 10.198 ( 5.861 0.967 1.164) 6.053 10.270 ( -2.558 4.098 0.222) 4.836 10.272 ( -2.060 2.461 -0.564) 3.258 10.442 ( -2.260 -0.636 1.029) 2.563 10.522 ( -1.349 -1.610 -0.244) 2.114 10.666 ( -1.026 2.828 0.221) 3.016 10.762 ( -3.498 4.815 -0.473) 5.970 11.045 ( 3.530 -5.092 -0.696) 6.235 11.176 ( -2.549 -5.614 0.030) 6.166 11.209 ( 5.431 -4.877 2.045) 7.581 11.284 ( -0.756 -5.289 1.493) 5.547 11.482 ( 1.721 -0.157 -2.824) 3.311 11.551 ( 2.510 -2.027 -0.280) 3.238 11.768 ( -1.985 1.990 0.427) 2.843 11.870 ( -2.764 1.286 0.014) 3.049 11.950 ( -1.161 -2.798 -0.612) 3.091 12.017 ( -2.148 -2.603 -0.013) 3.375 12.965 ( -1.159 1.548 -0.231) 1.947 12.996 ( -3.293 0.522 0.966) 3.472 13.290 ( -0.756 2.287 -0.595) 2.481 13.355 ( -3.286 0.273 0.020) 3.297 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.789 0.281 1.642) 1.843 0.996 ( -0.645 0.020 0.099) 0.653 1.054 ( -1.231 -0.709 1.247) 1.890 1.087 ( 1.246 -0.864 -1.988) 2.500 1.177 ( -0.225 0.148 0.283) 0.391 1.192 ( 1.331 -0.039 -1.320) 1.875 1.263 ( 1.581 0.328 3.382) 3.748 1.325 ( -2.429 1.314 -0.565) 2.818 1.367 ( 2.428 -0.456 -1.085) 2.698 1.396 ( -2.982 0.095 -2.698) 4.022 1.461 ( -5.588 3.748 6.893) 9.633 1.599 ( 4.138 1.347 -6.267) 7.630 1.682 ( 1.751 -1.004 0.834) 2.184 1.721 ( 0.352 -1.148 -3.719) 3.908 1.824 ( 2.211 5.097 7.556) 9.379 1.932 ( -1.625 3.671 -4.223) 5.827 2.117 ( -4.505 9.809 0.343) 10.799 2.137 ( 2.282 10.817 -1.995) 11.234 2.299 ( 1.494 1.482 2.789) 3.494 2.351 ( 1.225 0.007 -2.519) 2.801 2.469 ( -1.519 -4.257 2.973) 5.410 2.492 ( 0.611 -3.099 1.559) 3.522 2.553 ( 1.937 0.046 1.720) 2.591 2.606 ( -1.063 -2.110 -2.947) 3.777 2.690 ( -0.361 -5.088 1.956) 5.463 2.726 ( -0.702 -2.772 -1.870) 3.417 2.870 ( -0.046 -1.300 4.446) 4.632 2.969 ( -0.253 4.109 -5.239) 6.663 3.073 ( 12.655 5.780 1.663) 14.011 3.123 ( -15.590 7.016 -3.144) 17.383 3.313 ( -1.018 -2.427 5.480) 6.079 3.412 ( 2.942 -0.524 -3.562) 4.650 3.530 ( 3.241 5.508 2.025) 6.704 3.611 ( -3.465 1.634 -5.068) 6.353 3.833 ( -2.051 1.132 3.287) 4.037 3.896 ( 3.269 1.088 -2.939) 4.528 4.182 ( 3.768 -6.586 1.946) 7.833 4.210 ( -3.580 -7.101 -1.357) 8.067 4.477 ( -0.490 -6.258 5.021) 8.038 4.567 ( -0.548 -5.462 -4.689) 7.220 4.872 ( 1.522 -14.382 1.968) 14.595 4.899 ( -1.002 -13.734 -1.069) 13.812 7.862 ( -0.096 8.754 0.491) 8.769 7.871 ( 0.073 8.754 -0.534) 8.771 8.049 ( -3.106 4.399 5.842) 7.945 8.176 ( 4.215 2.303 -7.943) 9.282 8.561 ( 0.749 -7.600 0.500) 7.653 8.567 ( -1.155 -7.578 -0.236) 7.669 8.672 ( 0.375 0.061 1.763) 1.803 8.707 ( -0.065 -0.630 -2.052) 2.148 9.007 ( -1.630 -0.807 3.079) 3.576 9.040 ( 0.395 -1.026 -0.213) 1.120 9.101 ( -2.952 -2.292 6.208) 7.247 9.235 ( 3.275 -5.401 -7.001) 9.429 10.098 ( -2.199 4.877 0.925) 5.429 10.122 ( 1.618 5.198 -1.430) 5.628 10.200 ( 0.649 2.175 1.205) 2.570 10.222 ( 0.017 2.131 -0.989) 2.349 10.275 ( -0.892 1.945 0.382) 2.174 10.283 ( 0.432 1.720 -0.416) 1.822 10.445 ( 2.149 -0.228 2.190) 3.077 10.479 ( -1.498 -0.055 -1.445) 2.082 10.671 ( 0.413 2.853 1.739) 3.366 10.707 ( -0.899 4.082 -2.000) 4.633 11.106 ( 3.025 -7.171 0.703) 7.815 11.121 ( -3.229 -6.501 -0.712) 7.293 11.287 ( 1.524 -4.011 1.336) 4.493 11.297 ( -0.419 -3.601 0.864) 3.727 11.498 ( 2.169 -1.375 0.061) 2.569 11.526 ( -3.351 -2.050 -2.381) 4.594 11.780 ( 2.433 2.458 1.577) 3.801 11.808 ( -2.338 1.975 -1.485) 3.402 11.963 ( 1.549 -2.721 0.783) 3.227 11.979 ( -1.300 -2.642 -0.886) 3.075 12.965 ( -0.520 1.479 0.615) 1.684 12.971 ( 1.041 1.382 0.028) 1.730 13.293 ( 1.424 0.953 0.186) 1.723 13.301 ( -1.831 0.729 -0.691) 2.088 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -1.273 0.046 -0.537) 1.382 0.986 ( -2.910 0.883 1.215) 3.275 1.028 ( -5.198 2.970 0.964) 6.064 1.070 ( 0.082 1.091 -0.552) 1.226 1.129 ( -1.840 -0.858 -0.532) 2.098 1.183 ( -0.423 0.564 -0.710) 1.001 1.265 ( -0.104 0.446 -1.233) 1.316 1.317 ( -0.397 2.209 2.595) 3.430 1.355 ( -0.387 1.136 -0.688) 1.383 1.425 ( -3.934 2.473 4.854) 6.720 1.464 ( 5.303 -3.182 0.459) 6.201 1.598 ( -0.483 0.085 -2.097) 2.154 1.683 ( -0.340 -1.514 -3.881) 4.180 1.694 ( -0.965 -0.717 1.009) 1.570 1.846 ( -1.519 4.067 -5.618) 7.100 1.959 ( 3.381 5.849 0.819) 6.806 2.051 ( -4.361 9.368 1.115) 10.393 2.063 ( -3.739 7.640 3.703) 9.277 2.295 ( 1.435 1.178 -0.023) 1.857 2.413 ( -4.850 -3.837 -0.656) 6.219 2.476 ( -0.053 -5.152 -3.769) 6.383 2.519 ( -7.053 -0.332 -1.557) 7.230 2.577 ( 9.768 4.343 2.788) 11.048 2.615 ( -0.760 0.134 0.104) 0.778 2.657 ( -3.587 -1.776 0.317) 4.015 2.703 ( 3.226 -1.412 1.713) 3.916 2.780 ( -13.530 11.797 -2.010) 18.063 2.932 ( 3.086 2.053 0.098) 3.708 2.966 ( 3.691 -2.905 2.454) 5.300 3.237 ( 3.142 0.198 3.762) 4.906 3.310 ( -2.997 -3.371 -1.243) 4.679 3.455 ( 1.588 -3.464 -1.867) 4.243 3.539 ( 6.391 0.759 0.068) 6.436 3.685 ( 3.052 5.614 0.114) 6.391 3.807 ( -3.285 -0.271 2.576) 4.184 3.959 ( 8.173 2.797 -3.713) 9.403 4.093 ( -7.057 -9.452 -1.682) 11.915 4.249 ( 1.931 -4.367 1.294) 4.947 4.507 ( -0.109 -5.514 0.537) 5.541 4.557 ( 1.927 -3.922 1.465) 4.609 4.867 ( -1.127 -14.303 -1.908) 14.474 4.920 ( 2.231 -13.307 0.901) 13.523 7.845 ( -1.273 8.517 0.096) 8.612 7.881 ( 0.416 9.148 -0.001) 9.158 8.048 ( -2.672 4.189 5.679) 7.546 8.183 ( 4.406 2.208 -7.943) 9.347 8.530 ( -2.648 -7.431 0.092) 7.889 8.566 ( -0.778 -7.740 0.446) 7.792 8.685 ( -0.270 -0.045 -1.029) 1.065 8.689 ( -0.044 -0.327 0.550) 0.642 9.003 ( -1.749 -0.765 2.958) 3.520 9.041 ( -0.032 -1.019 -0.263) 1.053 9.100 ( -3.349 -2.407 6.324) 7.550 9.229 ( 3.059 -5.543 -7.069) 9.490 10.014 ( -4.598 5.799 0.848) 7.449 10.121 ( -5.123 3.024 -0.362) 5.960 10.182 ( -3.197 2.034 0.335) 3.804 10.214 ( -2.498 0.069 -0.527) 2.554 10.251 ( 0.430 4.931 0.848) 5.022 10.287 ( 3.246 2.339 -0.885) 4.098 10.464 ( 1.400 -0.237 -1.032) 1.755 10.516 ( 1.826 -1.992 0.250) 2.714 10.671 ( 0.283 3.683 -0.207) 3.700 10.745 ( 4.702 3.642 1.016) 6.033 11.044 ( -4.572 -4.870 -0.555) 6.703 11.162 ( 1.332 -7.819 1.428) 8.060 11.240 ( -2.740 -2.572 -1.326) 3.985 11.323 ( 0.174 -3.733 -1.651) 4.086 11.438 ( -3.163 -0.321 1.215) 3.404 11.535 ( -1.112 -3.181 1.128) 3.553 11.784 ( 1.319 1.714 -1.115) 2.433 11.859 ( 3.998 1.643 1.129) 4.467 11.950 ( -0.209 -2.751 -0.520) 2.808 12.014 ( 2.764 -2.709 0.250) 3.879 12.965 ( 0.861 2.051 -0.233) 2.237 13.013 ( 3.369 0.703 -0.645) 3.502 13.284 ( 0.488 1.922 -0.053) 1.984 13.348 ( 3.736 0.027 0.738) 3.808 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -9.522 8.634 1.952) 13.001 0.932 ( -4.387 3.950 2.293) 6.333 0.985 ( 0.122 1.152 -1.383) 1.804 1.082 ( -2.404 0.751 2.431) 3.500 1.113 ( 1.373 1.219 -1.739) 2.529 1.179 ( 0.685 0.605 -0.163) 0.928 1.268 ( 0.332 1.813 0.048) 1.844 1.297 ( -1.128 3.614 -2.690) 4.644 1.375 ( 1.191 0.898 2.749) 3.128 1.398 ( -3.458 1.602 4.323) 5.763 1.503 ( -0.426 0.141 -2.397) 2.439 1.545 ( -3.579 0.391 -0.469) 3.631 1.643 ( -0.327 -2.219 -3.687) 4.316 1.704 ( 1.347 -2.943 0.558) 3.284 1.777 ( -2.446 3.228 -3.187) 5.154 1.881 ( -7.272 6.135 -3.981) 10.314 1.943 ( -2.221 8.684 -0.076) 8.964 2.126 ( -8.668 5.390 0.504) 10.220 2.270 ( -10.056 4.006 -1.996) 11.007 2.303 ( 1.977 6.188 8.080) 10.368 2.351 ( -1.217 -6.827 -1.385) 7.072 2.434 ( -1.732 -3.705 -2.118) 4.605 2.536 ( -2.707 -0.947 -0.432) 2.900 2.619 ( -3.401 -2.215 -0.066) 4.059 2.652 ( 0.814 -1.928 3.732) 4.279 2.829 ( 8.697 3.994 2.024) 9.782 2.844 ( 11.250 3.499 0.225) 11.783 3.017 ( 3.811 -2.035 -1.751) 4.661 3.090 ( 6.135 0.757 4.813) 7.834 3.225 ( -0.244 -4.174 -6.231) 7.504 3.320 ( 3.342 -0.284 1.563) 3.700 3.446 ( -2.999 -3.002 -0.100) 4.244 3.581 ( -1.015 2.018 1.508) 2.716 3.706 ( -4.163 -0.916 1.158) 4.417 3.807 ( 2.466 1.311 0.966) 2.955 3.962 ( -3.451 -7.417 -1.321) 8.286 4.089 ( 7.632 0.164 -2.428) 8.010 4.279 ( 0.849 -2.831 -0.556) 3.007 4.488 ( -0.166 -5.934 -3.018) 6.660 4.628 ( 0.810 2.569 5.094) 5.763 4.830 ( -0.550 -17.581 -1.254) 17.635 4.965 ( 2.230 -12.323 -0.106) 12.523 7.824 ( -1.160 8.505 0.336) 8.591 7.878 ( -0.675 9.520 -0.094) 9.544 8.057 ( -1.967 3.849 5.556) 7.039 8.192 ( 4.490 1.993 -7.962) 9.356 8.480 ( -3.017 -7.490 0.538) 8.093 8.541 ( -1.773 -7.472 -0.529) 7.698 8.676 ( 0.057 -0.079 -0.564) 0.572 8.691 ( -0.263 -0.591 0.456) 0.791 8.998 ( -1.676 -0.571 3.033) 3.512 9.035 ( -0.764 -0.826 0.597) 1.273 9.095 ( -2.999 -2.608 5.468) 6.759 9.220 ( 2.930 -5.953 -7.002) 9.646 9.952 ( -3.362 5.210 1.171) 6.310 10.033 ( -4.047 3.561 -0.386) 5.405 10.091 ( -5.220 2.284 0.465) 5.716 10.123 ( -4.620 1.805 -1.066) 5.074 10.287 ( -0.435 0.660 -0.345) 0.862 10.352 ( 4.020 4.567 0.271) 6.091 10.473 ( 0.730 -0.755 -0.881) 1.371 10.540 ( 1.446 -2.424 0.638) 2.893 10.700 ( 2.664 2.685 -0.208) 3.788 10.825 ( 1.284 3.026 -0.648) 3.351 10.990 ( 0.431 -1.903 1.785) 2.644 11.109 ( -5.191 -3.994 -1.216) 6.662 11.241 ( 2.574 -4.554 -1.177) 5.362 11.306 ( -0.053 -5.184 -1.238) 5.330 11.402 ( -4.190 -0.890 2.828) 5.132 11.492 ( -3.334 -2.519 0.153) 4.182 11.804 ( 1.119 1.230 -0.399) 1.710 11.924 ( 2.492 0.393 -0.976) 2.705 11.973 ( 2.193 -2.688 1.619) 3.828 12.066 ( 2.878 -3.093 -0.304) 4.236 12.995 ( 2.362 2.379 0.442) 3.382 13.077 ( 4.329 -0.017 -0.693) 4.384 13.310 ( 1.877 3.295 0.376) 3.811 13.422 ( 3.729 -0.195 -0.212) 3.740 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -7.551 8.990 4.592) 12.607 0.872 ( -3.230 4.296 -0.165) 5.378 0.979 ( -0.315 5.803 0.295) 5.820 1.047 ( -2.218 1.292 0.732) 2.669 1.122 ( 0.110 3.582 -0.449) 3.612 1.198 ( 0.410 1.377 0.752) 1.622 1.242 ( -1.325 2.733 -1.563) 3.415 1.273 ( -0.535 5.612 0.963) 5.719 1.357 ( -3.719 2.601 2.181) 5.035 1.432 ( -1.954 2.828 3.703) 5.052 1.456 ( -0.404 0.798 -0.640) 1.100 1.490 ( -0.259 0.540 -1.659) 1.764 1.600 ( 0.409 -5.621 -5.435) 7.830 1.685 ( -4.442 4.893 0.191) 6.611 1.702 ( -1.947 2.587 -3.980) 5.131 1.753 ( -1.772 -1.081 -3.197) 3.812 1.906 ( -2.078 9.138 1.303) 9.461 1.988 ( -4.668 6.490 0.555) 8.014 2.140 ( -1.290 3.525 -0.950) 3.872 2.255 ( -3.211 -1.388 -2.955) 4.579 2.404 ( -1.829 -0.808 2.341) 3.079 2.474 ( 2.845 -3.670 4.735) 6.632 2.516 ( -0.351 -6.363 0.450) 6.388 2.558 ( -3.373 -5.525 0.371) 6.484 2.761 ( 6.260 -2.492 4.603) 8.160 2.940 ( 0.385 -0.037 -1.250) 1.309 3.026 ( 3.871 -8.348 0.451) 9.213 3.034 ( 7.114 6.900 0.935) 9.954 3.218 ( 2.585 -8.191 -3.120) 9.138 3.244 ( 5.404 5.890 1.036) 8.060 3.353 ( -1.116 5.157 0.068) 5.277 3.386 ( -0.249 0.165 -0.413) 0.509 3.587 ( -0.669 1.442 0.757) 1.760 3.621 ( -4.013 -3.285 -0.856) 5.256 3.800 ( -1.063 -1.036 1.941) 2.444 3.969 ( 0.420 -3.955 0.229) 3.984 4.178 ( 4.643 -0.752 -2.346) 5.256 4.262 ( -0.708 0.894 -3.198) 3.395 4.475 ( 1.542 -8.705 -1.212) 8.924 4.619 ( -4.727 1.031 1.326) 5.017 4.860 ( 2.446 -15.389 2.820) 15.835 4.992 ( 1.225 -11.201 -1.165) 11.328 7.812 ( -0.594 8.666 0.767) 8.721 7.858 ( -1.075 9.568 -0.539) 9.643 8.072 ( -2.119 3.881 5.655) 7.178 8.202 ( 4.527 1.808 -8.121) 9.472 8.442 ( -1.618 -7.628 0.966) 7.857 8.500 ( -1.698 -7.426 -1.138) 7.703 8.675 ( 0.090 -0.302 0.068) 0.322 8.689 ( -0.095 -0.943 -0.148) 0.959 8.998 ( -1.592 -0.511 3.436) 3.821 9.026 ( -1.312 -0.598 1.623) 2.171 9.091 ( -2.250 -2.603 4.261) 5.476 9.211 ( 3.080 -6.355 -6.946) 9.906 9.917 ( -1.371 3.945 0.957) 4.285 9.970 ( -2.710 2.856 -0.068) 3.938 10.022 ( -2.552 3.136 0.056) 4.043 10.044 ( -2.886 3.166 -1.015) 4.403 10.272 ( -0.389 1.154 0.279) 1.250 10.364 ( -1.555 3.695 -1.339) 4.227 10.514 ( 3.577 -1.153 0.905) 3.866 10.583 ( 2.150 -2.393 0.672) 3.286 10.725 ( -0.139 3.007 -0.850) 3.128 10.795 ( -2.806 1.038 0.573) 3.046 11.026 ( 0.913 -2.476 -1.059) 2.844 11.096 ( 5.374 0.985 0.724) 5.511 11.248 ( -1.934 -8.079 -1.877) 8.516 11.290 ( -0.154 -3.144 -0.405) 3.173 11.340 ( -4.453 -2.074 2.888) 5.699 11.434 ( -2.782 -2.442 -0.873) 3.803 11.826 ( 1.307 1.677 1.195) 2.439 11.938 ( 0.688 -0.345 -1.925) 2.073 12.030 ( 1.816 -3.154 1.857) 4.086 12.102 ( 1.481 -3.918 -1.062) 4.321 13.053 ( 2.522 3.212 1.998) 4.546 13.144 ( 3.113 0.865 -0.657) 3.297 13.349 ( 1.773 3.039 0.826) 3.614 13.463 ( 1.536 -0.172 -1.909) 2.456 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -1.109 3.180 1.121) 3.550 0.844 ( 0.712 -1.248 -3.693) 3.962 1.094 ( -2.586 4.998 2.358) 6.101 1.109 ( 1.657 4.497 0.796) 4.858 1.156 ( -1.852 -0.403 2.920) 3.482 1.215 ( 1.485 -2.741 -0.609) 3.176 1.253 ( -0.717 0.097 0.530) 0.897 1.302 ( -1.985 -2.653 -2.891) 4.398 1.367 ( -1.630 2.634 2.965) 4.288 1.403 ( -1.525 -1.168 2.357) 3.040 1.452 ( 1.296 2.908 -3.683) 4.868 1.489 ( 3.637 -0.779 -5.040) 6.264 1.664 ( 4.122 4.128 -0.871) 5.898 1.685 ( -2.117 2.159 -2.550) 3.955 1.733 ( -1.147 4.621 0.635) 4.803 1.754 ( 2.143 4.614 -2.102) 5.505 1.977 ( -2.604 -4.316 1.408) 5.234 1.988 ( 1.999 -4.260 0.059) 4.706 2.217 ( -1.226 2.301 1.286) 2.907 2.228 ( 0.759 1.791 0.255) 1.962 2.350 ( -0.445 -1.282 3.861) 4.092 2.388 ( 1.162 -2.597 -0.045) 2.845 2.533 ( 1.907 6.785 4.184) 8.197 2.591 ( -0.524 7.603 -1.430) 7.754 2.796 ( 1.216 -7.998 1.749) 8.277 2.805 ( 0.004 -6.809 0.487) 6.826 2.928 ( -3.688 -1.472 3.425) 5.244 2.993 ( -0.513 -7.491 -1.522) 7.661 3.245 ( 2.290 1.284 -0.334) 2.647 3.301 ( -0.854 -3.092 -4.939) 5.890 3.362 ( -2.046 2.655 2.135) 3.974 3.417 ( 1.379 -1.759 -3.175) 3.883 3.747 ( 1.542 17.121 1.329) 17.241 3.769 ( -1.318 16.433 -1.006) 16.517 3.864 ( 0.504 1.451 2.480) 2.917 3.890 ( -0.663 -1.253 0.025) 1.418 4.141 ( 2.290 -11.702 0.590) 11.939 4.167 ( -2.165 -13.401 -1.688) 13.679 4.292 ( 3.561 -4.963 -0.455) 6.126 4.328 ( -4.587 -8.023 -4.087) 10.105 4.811 ( 0.760 -0.535 3.109) 3.245 4.843 ( -0.010 -3.435 -0.423) 3.461 8.024 ( 0.209 10.618 1.306) 10.700 8.049 ( -0.247 10.516 -1.379) 10.609 8.164 ( -1.225 3.932 2.704) 4.927 8.218 ( 1.646 -1.345 -2.957) 3.641 8.259 ( 0.269 -9.520 1.316) 9.614 8.283 ( -0.539 -9.961 -1.246) 10.054 8.667 ( -0.116 -0.150 0.086) 0.208 8.672 ( 0.315 -0.599 -0.405) 0.789 8.990 ( -1.137 0.728 2.284) 2.653 9.018 ( 0.189 -0.571 -0.420) 0.733 9.058 ( -0.451 -0.550 0.910) 1.155 9.087 ( 1.165 -4.321 -2.277) 5.022 9.965 ( 0.417 1.384 -0.074) 1.448 9.971 ( -0.210 0.891 -0.700) 1.152 10.059 ( -0.692 2.177 1.125) 2.547 10.072 ( 0.254 0.894 -0.194) 0.950 10.350 ( 1.022 3.855 1.922) 4.427 10.384 ( -1.365 2.565 -1.672) 3.353 10.511 ( 0.232 -1.948 1.980) 2.788 10.554 ( 0.882 -4.059 -2.504) 4.850 10.810 ( -1.521 6.258 1.111) 6.536 10.830 ( 0.990 6.241 -0.987) 6.396 10.965 ( 1.911 -8.023 0.832) 8.289 10.988 ( -2.587 -8.370 -1.561) 8.899 11.216 ( 2.249 1.260 0.949) 2.746 11.231 ( -1.656 0.515 -0.673) 1.860 11.309 ( 1.239 -0.728 1.257) 1.909 11.330 ( -1.221 -2.202 -1.032) 2.721 11.895 ( 0.428 1.470 1.511) 2.151 11.917 ( -0.222 -0.311 -0.735) 0.828 12.004 ( -0.023 -1.350 0.545) 1.456 12.023 ( -0.226 -2.759 -1.309) 3.062 13.172 ( 0.726 2.206 2.080) 3.118 13.192 ( 0.250 0.394 0.179) 0.500 13.415 ( -0.010 1.229 0.002) 1.229 13.436 ( -0.862 -0.668 -1.983) 2.264 ======================= Grid point 144 (78/84) ======================= q-point: ( 0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 1.935 1.716 2.248) 3.427 0.858 ( 3.284 -1.116 -1.581) 3.812 1.081 ( -0.170 4.567 1.854) 4.932 1.122 ( -0.949 0.662 0.110) 1.163 1.163 ( -1.059 2.018 1.838) 2.928 1.225 ( 1.246 -1.699 -2.025) 2.922 1.243 ( -0.503 0.722 1.289) 1.560 1.306 ( 1.733 -2.999 3.578) 4.980 1.374 ( -0.465 2.218 2.143) 3.119 1.409 ( -0.052 -1.389 1.811) 2.283 1.482 ( 4.781 3.233 -3.006) 6.508 1.532 ( 4.551 -1.836 -3.412) 5.977 1.602 ( -1.674 6.442 -4.128) 7.832 1.686 ( -1.241 -1.336 -0.622) 1.927 1.764 ( 3.317 4.995 0.302) 6.004 1.826 ( 6.295 3.469 -1.160) 7.281 1.982 ( 1.685 -0.001 1.199) 2.068 2.068 ( 5.641 -2.974 0.000) 6.377 2.199 ( -0.238 0.512 0.303) 0.641 2.234 ( 0.288 -1.423 -0.236) 1.471 2.407 ( 4.564 2.856 -0.430) 5.401 2.449 ( 5.059 -1.191 -0.876) 5.271 2.558 ( -0.955 5.821 -4.273) 7.284 2.602 ( 1.705 7.507 1.514) 7.845 2.755 ( -4.643 -3.858 -0.315) 6.045 2.757 ( -3.497 -9.576 0.664) 10.216 2.924 ( -2.377 -4.910 4.547) 7.102 2.962 ( -1.036 -6.571 1.147) 6.750 3.256 ( -3.622 9.205 -1.827) 10.060 3.285 ( 0.509 0.472 -0.489) 0.849 3.320 ( -2.827 -1.692 1.570) 3.650 3.447 ( 5.575 -7.994 -0.637) 9.767 3.640 ( -7.503 18.073 0.336) 19.571 3.797 ( 1.069 9.181 -0.400) 9.251 3.866 ( -1.732 4.830 -1.994) 5.505 3.907 ( 1.062 -0.021 1.915) 2.190 4.064 ( -3.742 -10.869 -0.729) 11.518 4.166 ( -3.673 -16.497 -0.622) 16.912 4.261 ( 1.635 1.918 1.151) 2.771 4.391 ( 3.799 -12.187 1.918) 12.909 4.809 ( -2.110 -0.705 -1.702) 2.801 4.829 ( -1.075 -2.713 0.404) 2.946 8.026 ( -0.150 10.341 -0.287) 10.346 8.058 ( 1.304 10.458 0.376) 10.546 8.151 ( -2.295 2.414 2.358) 4.081 8.207 ( 0.587 -2.081 -3.043) 3.733 8.290 ( 2.145 -7.739 -0.656) 8.057 8.300 ( 2.337 -9.096 1.020) 9.447 8.667 ( 0.048 0.088 0.063) 0.118 8.676 ( 0.565 -0.821 -0.424) 1.084 8.994 ( -0.676 0.781 2.091) 2.332 9.017 ( 0.127 -0.414 -0.413) 0.598 9.058 ( -0.480 -0.386 1.058) 1.224 9.094 ( 1.828 -4.627 -2.288) 5.476 9.987 ( 2.792 1.914 -0.478) 3.418 10.002 ( 3.289 0.616 0.102) 3.348 10.073 ( 1.186 2.424 1.131) 2.926 10.094 ( 2.293 0.465 -0.248) 2.353 10.347 ( -1.130 4.256 -1.359) 4.609 10.388 ( 1.074 1.523 1.987) 2.725 10.512 ( -1.488 -1.066 -0.094) 1.833 10.528 ( -0.841 -3.596 -1.969) 4.185 10.808 ( -0.482 6.718 1.301) 6.859 10.854 ( 1.664 3.544 -0.835) 4.003 10.934 ( -0.600 -4.622 0.377) 4.676 10.990 ( -1.360 -9.095 1.299) 9.287 11.182 ( -1.053 2.043 -0.979) 2.499 11.233 ( -1.720 -2.685 -0.623) 3.249 11.351 ( 4.313 -0.027 -0.262) 4.321 11.371 ( 3.631 -1.717 0.784) 4.092 11.888 ( -1.375 1.789 -0.722) 2.369 11.912 ( -0.275 -0.160 0.338) 0.464 11.995 ( -1.414 -1.593 -0.062) 2.131 12.010 ( -0.697 -2.577 0.513) 2.719 13.148 ( -3.769 1.655 -1.622) 4.425 13.158 ( -3.437 0.724 -0.118) 3.514 13.400 ( -1.679 0.995 -0.164) 1.958 13.415 ( -1.078 -0.461 1.703) 2.067 ======================= Grid point 145 (79/84) ======================= q-point: ( 0.25 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 2.763 0.868 2.283) 3.688 0.918 ( 3.479 -1.199 0.273) 3.691 1.099 ( -0.729 1.859 -0.062) 1.998 1.113 ( -0.798 0.540 1.593) 1.862 1.145 ( 0.671 2.000 -1.376) 2.518 1.202 ( -0.030 -2.483 -1.336) 2.819 1.304 ( 1.619 3.199 3.574) 5.062 1.335 ( -1.155 2.493 0.205) 2.755 1.399 ( -0.182 -0.647 4.064) 4.119 1.424 ( -0.465 -1.931 0.484) 2.045 1.492 ( 1.152 4.908 -3.480) 6.126 1.583 ( 5.078 -3.054 -4.726) 7.579 1.606 ( 4.198 1.884 -3.785) 5.958 1.657 ( 0.391 -1.974 -0.888) 2.199 1.822 ( 1.290 6.102 2.330) 6.658 1.926 ( 2.584 0.241 5.410) 6.000 2.050 ( 5.756 6.470 0.020) 8.660 2.138 ( 2.026 -1.213 0.022) 2.362 2.221 ( -1.360 -3.146 -2.336) 4.148 2.254 ( 4.745 -5.733 -0.383) 7.451 2.439 ( 0.585 2.040 -2.780) 3.498 2.498 ( 0.671 -3.767 -5.092) 6.369 2.551 ( 2.689 4.890 2.936) 6.306 2.606 ( -1.643 -0.432 0.514) 1.775 2.676 ( 3.246 4.469 0.049) 5.523 2.812 ( -1.662 -7.124 -0.105) 7.316 2.903 ( 2.032 0.351 3.086) 3.711 2.966 ( -1.679 -4.871 2.488) 5.722 3.109 ( -8.340 10.788 0.527) 13.646 3.225 ( -5.595 -0.567 1.903) 5.936 3.356 ( 4.438 4.226 -3.623) 7.119 3.520 ( -0.571 8.130 -1.541) 8.294 3.586 ( 5.578 -2.985 -0.401) 6.339 3.795 ( -1.533 0.425 -4.038) 4.339 3.822 ( 2.336 4.557 -0.541) 5.150 3.913 ( -2.287 1.661 0.506) 2.871 4.018 ( -2.814 -5.604 1.989) 6.579 4.109 ( -2.399 -9.937 1.464) 10.327 4.294 ( -1.282 -2.073 3.131) 3.968 4.435 ( -1.343 -15.742 1.493) 15.869 4.744 ( -2.354 1.695 -2.100) 3.581 4.794 ( -2.483 -3.985 -0.374) 4.710 8.025 ( 0.451 9.423 -0.541) 9.450 8.077 ( -0.005 9.317 0.317) 9.323 8.137 ( -1.246 2.140 2.348) 3.412 8.198 ( 1.349 -1.021 -2.604) 3.105 8.328 ( 2.482 -7.057 -0.615) 7.506 8.352 ( 2.241 -8.532 0.794) 8.857 8.669 ( 0.039 0.453 0.177) 0.488 8.684 ( 0.735 -1.034 -0.383) 1.325 9.001 ( -0.383 0.692 1.417) 1.623 9.016 ( 0.235 -0.317 -0.467) 0.612 9.061 ( -0.523 -0.062 1.838) 1.912 9.110 ( 2.118 -4.789 -2.424) 5.771 10.055 ( 4.695 3.002 -0.514) 5.596 10.081 ( 5.105 0.898 0.265) 5.190 10.120 ( 2.700 1.668 1.331) 3.442 10.146 ( 3.634 -0.268 -0.251) 3.653 10.325 ( -0.307 4.313 -0.373) 4.340 10.415 ( 0.058 -2.298 1.270) 2.627 10.456 ( -2.869 2.051 -1.963) 4.036 10.503 ( -1.031 -2.062 -0.760) 2.427 10.785 ( -2.392 6.071 0.612) 6.554 10.881 ( 1.674 2.560 0.465) 3.094 10.943 ( -3.509 -5.124 0.344) 6.220 10.987 ( 3.693 -4.872 1.057) 6.204 11.158 ( -1.578 -0.565 -0.223) 1.691 11.193 ( -1.612 -3.410 0.012) 3.772 11.432 ( 4.695 0.057 -0.900) 4.781 11.449 ( 4.273 -1.449 0.144) 4.514 11.853 ( -1.605 2.558 -0.792) 3.122 11.900 ( -1.146 -1.371 0.041) 1.787 11.961 ( -2.277 -0.160 -0.156) 2.288 11.994 ( -1.814 -2.665 0.718) 3.303 13.054 ( -4.352 1.478 -1.255) 4.764 13.072 ( -4.873 -0.218 -0.511) 4.904 13.369 ( -2.028 1.942 0.326) 2.827 13.398 ( -2.385 -0.839 1.152) 2.779 ======================= Grid point 146 (80/84) ======================= q-point: ( 0.38 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 2.099 0.627 1.390) 2.595 0.974 ( 2.202 -1.250 0.487) 2.578 1.068 ( -1.604 0.613 -1.127) 2.055 1.084 ( -1.502 -0.797 -1.328) 2.157 1.176 ( 1.933 1.548 0.172) 2.482 1.201 ( 0.462 -0.007 -0.860) 0.976 1.289 ( -1.769 3.725 -1.075) 4.261 1.343 ( -0.198 -0.121 0.824) 0.857 1.383 ( -1.217 0.392 -1.672) 2.105 1.413 ( -1.326 -1.625 0.887) 2.277 1.536 ( 3.301 2.739 -0.735) 4.352 1.600 ( 1.618 -2.436 -0.227) 2.933 1.633 ( 2.043 1.805 -3.986) 4.829 1.683 ( 2.414 -2.724 -3.375) 4.964 1.868 ( 0.835 8.208 5.891) 10.138 2.047 ( 3.991 0.728 7.684) 8.690 2.103 ( -3.777 -4.658 -0.980) 6.076 2.192 ( 6.464 4.257 -0.385) 7.750 2.209 ( 2.519 -1.818 4.258) 5.271 2.326 ( 4.500 -5.498 0.128) 7.106 2.391 ( -3.083 3.721 -2.673) 5.522 2.490 ( 1.585 -4.896 -1.656) 5.406 2.583 ( -3.641 -0.300 0.764) 3.733 2.603 ( -1.128 -1.377 -0.374) 1.819 2.673 ( -3.415 2.183 -0.861) 4.143 2.714 ( -3.900 -1.957 -1.755) 4.703 2.945 ( -4.622 3.451 3.896) 6.961 3.022 ( 4.279 0.347 5.705) 7.140 3.048 ( 1.867 5.749 -1.968) 6.357 3.217 ( 3.318 -4.164 2.660) 5.951 3.353 ( 1.428 15.241 -6.662) 16.695 3.566 ( 8.188 13.639 -2.067) 16.042 3.618 ( -0.194 -5.187 -8.581) 10.029 3.823 ( -0.690 1.854 0.210) 1.990 3.852 ( 2.199 -6.093 0.741) 6.519 3.869 ( 4.480 2.926 0.589) 5.383 3.951 ( -6.942 2.568 1.603) 7.573 4.114 ( 0.111 -8.999 3.030) 9.496 4.253 ( -6.112 -8.329 2.148) 10.552 4.366 ( -5.374 -17.616 -1.651) 18.491 4.712 ( -0.310 0.670 0.460) 0.870 4.751 ( -1.725 -3.848 0.154) 4.220 8.031 ( 0.640 7.984 -0.338) 8.017 8.064 ( -1.060 6.565 -0.203) 6.653 8.146 ( -0.756 4.990 2.964) 5.853 8.206 ( 2.043 0.812 -2.911) 3.648 8.362 ( 1.536 -7.681 -0.030) 7.833 8.388 ( 1.118 -8.620 0.048) 8.692 8.673 ( 0.075 0.867 0.531) 1.020 8.693 ( 0.586 -1.121 -0.442) 1.340 9.003 ( -0.527 0.495 0.950) 1.194 9.018 ( 0.508 -0.666 -0.752) 1.126 9.071 ( -0.738 0.390 2.644) 2.773 9.124 ( 1.890 -4.591 -2.551) 5.582 10.130 ( 3.751 3.836 -0.148) 5.367 10.175 ( 3.510 2.755 0.816) 4.536 10.187 ( 3.831 -1.642 0.436) 4.191 10.212 ( 3.352 -0.740 -0.144) 3.436 10.326 ( 0.024 3.939 0.262) 3.948 10.380 ( -2.313 2.185 -1.924) 3.718 10.421 ( -1.207 0.380 1.436) 1.914 10.480 ( -0.338 -2.600 -1.112) 2.848 10.757 ( -1.708 6.182 1.530) 6.594 10.876 ( -1.940 6.332 -1.967) 6.909 10.908 ( -0.410 -7.650 0.858) 7.709 11.028 ( -0.124 -8.102 -2.401) 8.451 11.157 ( 1.255 -0.150 3.358) 3.588 11.191 ( 0.454 -3.288 3.051) 4.509 11.486 ( 2.356 0.641 -2.334) 3.377 11.510 ( 2.379 -1.736 -1.487) 3.299 11.822 ( -0.994 3.020 0.099) 3.181 11.885 ( -0.262 -2.595 0.222) 2.617 11.909 ( -2.997 1.593 -0.515) 3.433 11.959 ( -2.174 -2.830 -0.084) 3.570 12.992 ( -1.840 0.966 0.348) 2.107 13.002 ( -2.576 -0.064 0.783) 2.693 13.331 ( -1.803 1.616 -0.572) 2.488 13.353 ( -2.651 -0.524 -0.353) 2.725 ======================= Grid point 147 (81/84) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 1.044 0.429 0.737) 1.348 0.998 ( -0.220 -0.041 0.175) 0.284 1.037 ( -0.204 -0.318 -0.846) 0.926 1.054 ( 0.698 -1.736 -2.480) 3.106 1.193 ( -0.366 0.927 -0.042) 0.997 1.201 ( 0.540 0.306 -0.997) 1.175 1.277 ( 0.613 1.187 0.214) 1.353 1.310 ( -0.114 -1.911 -3.297) 3.812 1.378 ( -0.312 1.347 1.960) 2.399 1.396 ( -0.848 -0.315 0.087) 0.909 1.546 ( -3.549 4.202 3.445) 6.490 1.621 ( -0.125 -0.039 -1.191) 1.198 1.634 ( 1.868 -2.098 -2.005) 3.451 1.672 ( 0.520 -2.797 -3.263) 4.330 1.968 ( 3.657 7.843 5.362) 10.180 2.020 ( -3.025 4.009 -0.808) 5.087 2.193 ( 2.992 -0.973 3.890) 5.003 2.236 ( -1.433 -4.522 2.627) 5.423 2.298 ( -0.969 1.951 -0.902) 2.358 2.324 ( 0.977 -1.125 -1.475) 2.097 2.444 ( 5.543 0.312 1.782) 5.831 2.478 ( -2.749 -2.484 -0.964) 3.828 2.519 ( 3.089 -1.651 -0.017) 3.503 2.526 ( -3.820 -2.472 -1.171) 4.698 2.635 ( -1.068 0.869 0.027) 1.377 2.661 ( -0.881 -1.458 -2.638) 3.140 2.917 ( -3.170 5.005 7.918) 9.889 3.014 ( -0.753 -1.979 -0.349) 2.146 3.187 ( 4.415 0.728 1.261) 4.649 3.247 ( 0.781 -1.934 -3.007) 3.660 3.380 ( 1.280 13.380 -0.176) 13.442 3.449 ( -5.430 5.871 -7.077) 10.679 3.740 ( 6.525 13.788 0.332) 15.258 3.754 ( -6.881 10.988 -1.328) 13.032 3.829 ( -4.451 -0.365 2.823) 5.283 3.884 ( 6.580 -2.434 -2.992) 7.627 4.063 ( 9.278 -4.347 1.668) 10.380 4.079 ( -9.197 -4.329 -0.272) 10.168 4.193 ( 0.941 -17.912 4.327) 18.451 4.263 ( -1.847 -19.917 -3.335) 20.279 4.727 ( 0.799 -1.408 0.965) 1.885 4.736 ( -0.286 -2.583 -0.027) 2.599 8.040 ( -0.154 6.819 0.210) 6.824 8.045 ( -0.095 6.230 -0.354) 6.241 8.155 ( -1.310 6.313 2.939) 7.086 8.214 ( 1.964 1.630 -3.454) 4.295 8.382 ( 0.317 -8.601 0.605) 8.628 8.391 ( -0.628 -8.459 -0.378) 8.491 8.681 ( 0.066 0.625 0.755) 0.982 8.694 ( 0.062 -0.668 -0.699) 0.969 9.001 ( -0.627 0.438 0.993) 1.253 9.019 ( 0.463 -1.070 -0.882) 1.462 9.078 ( -1.277 0.533 2.837) 3.156 9.130 ( 1.272 -4.313 -2.655) 5.222 10.179 ( -0.798 2.631 1.392) 3.082 10.195 ( 0.179 1.417 0.223) 1.446 10.233 ( -1.322 1.001 0.053) 1.659 10.246 ( 1.346 -0.003 -0.844) 1.588 10.329 ( 0.758 2.606 0.143) 2.718 10.339 ( -0.712 2.826 -0.941) 3.063 10.436 ( 1.399 -0.120 1.225) 1.863 10.463 ( -0.379 -1.665 -1.619) 2.352 10.762 ( 0.556 6.328 2.815) 6.948 10.817 ( -1.413 6.554 -3.029) 7.357 10.929 ( 1.234 -9.115 2.137) 9.443 10.972 ( -2.070 -7.909 -2.570) 8.570 11.231 ( 2.035 -1.203 2.563) 3.487 11.238 ( 0.818 -1.806 2.050) 2.852 11.482 ( -0.158 -0.192 -1.379) 1.401 11.492 ( -1.858 -1.164 -2.200) 3.106 11.835 ( 1.665 2.789 1.013) 3.402 11.854 ( -1.655 2.177 -0.997) 2.910 11.905 ( 1.502 -2.606 0.768) 3.105 11.920 ( -1.267 -2.862 -0.877) 3.250 12.989 ( 0.183 0.725 0.689) 1.017 12.991 ( 0.690 0.495 0.449) 0.960 13.309 ( 0.172 0.516 -0.311) 0.626 13.312 ( -0.900 0.216 -0.624) 1.116 ======================= Grid point 148 (82/84) ======================= q-point: (-0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.964 0.100 -1.260) 1.590 0.986 ( -1.412 -0.395 -0.477) 1.542 1.059 ( 2.059 0.306 0.191) 2.091 1.067 ( 1.689 -0.765 -0.233) 1.869 1.171 ( -2.230 2.778 0.460) 3.592 1.197 ( -0.009 0.218 -0.511) 0.555 1.283 ( 1.268 2.281 -0.653) 2.690 1.338 ( 3.098 -1.393 0.372) 3.417 1.379 ( -0.640 1.326 0.025) 1.472 1.405 ( 1.877 -1.781 1.595) 3.040 1.493 ( -5.041 4.344 3.424) 7.483 1.592 ( -3.576 -3.852 1.445) 5.451 1.621 ( -0.153 0.232 -3.008) 3.021 1.662 ( -0.091 -2.372 -1.246) 2.681 1.955 ( -2.403 6.600 -2.751) 7.543 2.069 ( 3.057 0.008 2.754) 4.115 2.132 ( -4.937 3.444 -2.034) 6.353 2.193 ( -5.355 3.951 -0.266) 6.660 2.314 ( -4.114 -4.910 -2.661) 6.936 2.328 ( -2.455 -6.690 -0.228) 7.130 2.350 ( 0.546 3.283 -1.517) 3.658 2.468 ( -0.929 -5.234 0.205) 5.320 2.572 ( 0.471 1.476 1.993) 2.524 2.616 ( 4.239 -1.094 -1.570) 4.651 2.657 ( 4.706 1.293 0.757) 4.938 2.676 ( 4.034 -0.769 2.135) 4.628 2.939 ( -2.105 1.228 4.248) 4.897 3.004 ( -1.932 -2.498 2.078) 3.780 3.146 ( -5.750 16.333 -4.503) 17.891 3.249 ( -0.227 5.953 0.290) 5.964 3.299 ( 4.774 -2.743 -3.540) 6.546 3.462 ( -3.727 -1.220 6.113) 7.263 3.554 ( -7.094 8.759 -0.140) 11.272 3.820 ( 1.280 2.774 0.514) 3.098 3.853 ( 0.381 -2.085 0.273) 2.137 3.882 ( -7.027 1.019 -0.719) 7.137 4.003 ( 7.081 0.269 -3.454) 7.884 4.150 ( 0.066 -7.189 -0.684) 7.222 4.272 ( 5.839 -11.283 0.934) 12.739 4.324 ( 6.574 -14.347 1.886) 15.894 4.726 ( -0.439 -0.674 -0.894) 1.203 4.753 ( 1.492 -3.343 0.028) 3.661 8.026 ( -0.901 7.704 0.192) 7.759 8.060 ( 0.989 5.692 0.285) 5.785 8.150 ( -1.818 6.510 2.261) 7.127 8.215 ( 1.568 0.969 -3.504) 3.960 8.362 ( -2.158 -7.696 -0.087) 7.994 8.383 ( -0.883 -9.184 0.652) 9.249 8.684 ( -0.376 0.031 0.190) 0.422 8.686 ( -0.170 -0.109 -0.461) 0.503 8.999 ( -0.724 0.525 1.188) 1.487 9.019 ( 0.380 -1.175 -0.760) 1.449 9.075 ( -1.808 0.367 2.638) 3.219 9.123 ( 0.674 -4.224 -2.705) 5.061 10.124 ( -4.284 4.379 0.506) 6.147 10.172 ( -4.548 0.945 0.679) 4.694 10.201 ( -2.731 -0.790 -0.574) 2.901 10.206 ( -3.451 0.140 0.379) 3.475 10.335 ( -0.012 3.605 -0.356) 3.622 10.359 ( 2.237 2.677 0.136) 3.491 10.453 ( 1.573 -0.794 -1.561) 2.354 10.466 ( 0.890 -2.395 -0.013) 2.555 10.783 ( 0.226 7.127 -0.868) 7.183 10.832 ( 3.435 5.019 2.187) 6.463 10.926 ( -0.686 -6.251 -1.065) 6.378 10.980 ( 1.002 -9.243 2.554) 9.641 11.216 ( -1.479 0.286 -2.445) 2.872 11.250 ( -0.719 -2.873 -2.380) 3.799 11.443 ( -2.474 0.926 1.619) 3.099 11.477 ( -1.550 -2.352 1.647) 3.263 11.830 ( 0.352 2.667 -0.681) 2.775 11.887 ( 1.019 -2.019 0.219) 2.272 11.903 ( 2.077 1.359 -0.106) 2.484 11.955 ( 2.732 -2.894 0.358) 3.996 13.002 ( 1.496 1.385 -0.631) 2.134 13.019 ( 2.374 -0.218 -0.824) 2.522 13.320 ( 1.891 1.485 0.487) 2.453 13.342 ( 2.989 -0.639 0.733) 3.144 ======================= Grid point 149 (83/84) ======================= q-point: (-0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -2.751 0.697 -2.189) 3.584 0.943 ( -1.756 -0.343 -2.177) 2.818 1.088 ( 0.712 3.275 1.079) 3.521 1.098 ( -0.912 1.498 3.140) 3.596 1.135 ( -0.450 1.056 -0.409) 1.219 1.191 ( -0.425 -1.621 -0.173) 1.684 1.316 ( 0.508 4.301 0.914) 4.426 1.362 ( 0.088 0.878 -0.859) 1.231 1.409 ( 4.683 3.389 1.103) 5.885 1.437 ( -4.165 2.707 2.826) 5.715 1.479 ( 2.939 -2.414 0.520) 3.838 1.528 ( -3.201 -5.747 -1.415) 6.729 1.574 ( -2.164 2.274 -2.503) 4.015 1.646 ( 0.024 -3.373 -0.369) 3.393 1.880 ( -3.156 7.304 -3.158) 8.560 2.023 ( -7.221 3.574 -4.025) 9.006 2.054 ( -4.394 1.710 0.037) 4.715 2.147 ( -2.754 -4.956 -0.897) 5.740 2.170 ( -1.337 -1.209 1.617) 2.422 2.264 ( -3.876 -6.723 -0.985) 7.823 2.377 ( -2.559 1.213 3.700) 4.659 2.417 ( -4.392 -0.413 2.802) 5.226 2.599 ( -0.932 4.821 -1.258) 5.069 2.614 ( -0.548 3.974 -0.815) 4.094 2.675 ( -1.459 2.680 -0.011) 3.051 2.789 ( 3.349 -4.127 2.128) 5.725 2.929 ( -2.769 -2.916 -0.259) 4.029 2.979 ( 1.319 -6.237 2.143) 6.726 3.123 ( 4.430 14.065 0.412) 14.752 3.262 ( 4.018 3.366 -3.835) 6.495 3.346 ( 1.379 -2.916 -2.395) 4.018 3.452 ( 0.127 0.786 5.265) 5.325 3.548 ( 0.926 3.321 3.038) 4.595 3.743 ( -1.021 -4.998 1.464) 5.308 3.832 ( -2.156 7.334 -1.201) 7.738 3.913 ( 2.439 5.470 0.317) 5.997 4.065 ( 2.987 -4.947 -2.646) 6.355 4.140 ( 0.758 -12.085 -1.458) 12.196 4.348 ( 2.164 -2.773 -2.312) 4.209 4.448 ( 4.370 -13.396 0.657) 14.106 4.712 ( -0.428 2.723 0.882) 2.894 4.786 ( 1.994 -5.136 0.363) 5.522 8.014 ( -0.678 9.114 0.502) 9.153 8.081 ( 0.788 7.654 0.107) 7.696 8.134 ( -1.587 3.959 1.825) 4.640 8.211 ( 1.374 -0.383 -3.121) 3.432 8.316 ( -2.989 -6.925 0.541) 7.562 8.361 ( -1.817 -9.291 -0.032) 9.467 8.675 ( -0.256 0.068 -0.364) 0.450 8.680 ( -0.425 -0.413 0.007) 0.593 8.996 ( -0.872 0.684 1.475) 1.845 9.019 ( 0.223 -0.992 -0.517) 1.141 9.064 ( -1.583 0.012 2.080) 2.614 9.108 ( 0.397 -4.287 -2.603) 5.031 10.048 ( -4.271 3.717 0.232) 5.667 10.086 ( -4.805 0.670 -0.177) 4.855 10.130 ( -3.894 1.250 0.457) 4.115 10.143 ( -3.609 0.168 -0.119) 3.615 10.324 ( -0.562 3.423 -0.261) 3.479 10.406 ( 1.593 -2.467 1.709) 3.398 10.460 ( 1.064 1.727 -1.851) 2.746 10.497 ( 2.488 -1.483 -0.313) 2.914 10.793 ( 1.521 6.507 -0.192) 6.685 10.886 ( -1.000 2.365 -0.057) 2.568 10.938 ( 3.505 -3.367 0.861) 4.936 10.988 ( -2.052 -6.704 0.941) 7.074 11.182 ( 0.404 -0.569 -2.390) 2.490 11.213 ( 0.074 -3.328 -2.021) 3.895 11.404 ( -4.109 1.044 1.972) 4.676 11.440 ( -3.570 -2.327 1.032) 4.385 11.843 ( 1.078 2.467 0.144) 2.697 11.899 ( 0.964 -2.740 0.071) 2.905 11.958 ( 2.645 1.405 0.223) 3.004 12.003 ( 2.362 -2.820 -0.252) 3.688 13.041 ( 3.183 1.877 0.104) 3.697 13.069 ( 3.882 -0.850 -0.307) 3.986 13.371 ( 2.804 2.490 0.189) 3.755 13.409 ( 3.426 -1.198 0.002) 3.630 ======================= Grid point 150 (84/84) ======================= q-point: (-0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 3.39e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -4.196 3.326 -1.138) 5.474 0.887 ( -1.349 -0.803 -3.558) 3.889 1.084 ( -1.221 4.553 2.267) 5.230 1.111 ( -0.325 3.358 1.386) 3.648 1.152 ( 0.556 -0.722 1.049) 1.390 1.191 ( 0.257 -3.815 1.100) 3.979 1.292 ( -1.778 3.475 -1.915) 4.348 1.353 ( -0.777 -0.269 -1.016) 1.307 1.393 ( -4.135 1.681 3.558) 5.708 1.434 ( -4.271 -2.929 0.997) 5.274 1.492 ( 0.998 0.327 -4.773) 4.888 1.495 ( -0.383 0.603 -3.606) 3.676 1.556 ( 6.547 6.748 -0.872) 9.442 1.681 ( 2.899 -3.424 -0.107) 4.487 1.789 ( -3.816 5.479 -1.371) 6.817 1.839 ( -7.831 5.974 -2.976) 10.289 1.996 ( -2.692 -2.457 -0.020) 3.645 2.048 ( -5.697 -3.470 1.572) 6.853 2.195 ( 0.039 -0.094 0.596) 0.604 2.226 ( 0.340 -0.331 0.502) 0.691 2.353 ( -3.211 -1.366 4.489) 5.686 2.390 ( -3.844 -4.170 6.537) 8.654 2.513 ( -3.004 9.234 0.100) 9.711 2.610 ( -0.879 9.081 0.408) 9.132 2.727 ( 4.727 -3.439 0.528) 5.869 2.786 ( -0.867 -11.882 -0.516) 11.925 2.928 ( 1.130 -0.537 1.775) 2.172 3.008 ( 0.238 -8.944 -0.977) 9.000 3.232 ( 3.397 10.401 0.365) 10.948 3.295 ( 2.165 2.287 -1.747) 3.601 3.366 ( 4.052 -3.142 -2.823) 5.853 3.444 ( -3.329 -9.201 -0.228) 9.787 3.641 ( 6.613 17.840 0.576) 19.035 3.787 ( -1.084 9.462 0.132) 9.525 3.815 ( 3.359 3.835 3.118) 5.976 3.920 ( -1.825 1.574 0.266) 2.424 4.084 ( 2.698 -11.080 -2.224) 11.619 4.164 ( 2.530 -16.326 -0.182) 16.521 4.315 ( -1.856 1.896 -4.069) 4.857 4.446 ( -2.666 -12.079 -3.803) 12.941 4.751 ( 1.668 2.327 4.250) 5.124 4.826 ( 1.534 -5.147 0.801) 5.430 8.012 ( -0.174 10.197 0.863) 10.235 8.073 ( -0.934 10.782 -0.937) 10.863 8.144 ( 0.296 1.498 2.488) 2.920 8.211 ( 1.632 -1.389 -2.787) 3.516 8.271 ( -2.472 -7.457 1.018) 7.922 8.321 ( -2.009 -9.424 -0.901) 9.678 8.669 ( -0.170 -0.113 -0.060) 0.213 8.673 ( -0.152 -0.520 -0.229) 0.588 8.993 ( -1.185 0.729 1.948) 2.394 9.018 ( 0.133 -0.669 -0.341) 0.763 9.058 ( -0.735 -0.440 1.283) 1.543 9.093 ( 0.543 -4.279 -2.403) 4.938 9.985 ( -2.448 2.506 -0.151) 3.506 10.009 ( -3.087 0.425 -0.588) 3.171 10.078 ( -2.380 1.851 0.799) 3.119 10.090 ( -2.083 0.796 0.000) 2.230 10.323 ( 0.257 4.231 1.035) 4.363 10.418 ( -0.803 -2.307 -0.818) 2.576 10.478 ( 1.311 1.462 1.390) 2.406 10.538 ( 2.579 -2.409 -1.406) 3.799 10.824 ( 1.018 6.523 0.279) 6.608 10.844 ( -2.315 3.969 -0.363) 4.609 10.945 ( -0.868 -4.794 -0.610) 4.910 11.009 ( 2.223 -9.161 -0.538) 9.443 11.175 ( 0.558 1.666 -0.328) 1.787 11.227 ( 1.935 -3.003 -0.106) 3.574 11.337 ( -4.398 1.409 1.150) 4.759 11.381 ( -3.203 -2.576 -0.139) 4.113 11.868 ( 1.006 2.339 1.068) 2.761 11.916 ( 0.623 -2.031 0.139) 2.129 11.993 ( 1.202 0.151 -0.124) 1.218 12.028 ( 0.986 -2.933 -1.028) 3.260 13.112 ( 3.333 2.365 1.820) 4.474 13.145 ( 3.634 -0.777 1.023) 3.854 13.409 ( 1.505 2.571 -0.822) 3.090 13.449 ( 1.520 -1.284 -1.600) 2.553 =================== 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 3/21840 10.0 65.446 61.255 31.009 0.000 -3.062 0.000 3/21840 20.0 16.880 16.921 8.578 0.000 -0.960 0.000 3/21840 30.0 9.565 10.021 5.034 0.000 -0.525 0.000 3/21840 40.0 7.073 8.070 3.763 0.000 -0.333 0.000 3/21840 50.0 5.808 7.310 3.106 0.000 -0.231 0.000 3/21840 60.0 4.995 6.843 2.686 0.000 -0.175 0.000 3/21840 70.0 4.401 6.439 2.382 0.000 -0.143 0.000 3/21840 80.0 3.937 6.053 2.148 0.000 -0.125 0.000 3/21840 90.0 3.563 5.684 1.960 0.000 -0.114 0.000 3/21840 100.0 3.253 5.338 1.804 0.000 -0.107 0.000 3/21840 110.0 2.992 5.017 1.672 0.000 -0.103 0.000 3/21840 120.0 2.770 4.723 1.559 0.000 -0.099 0.000 3/21840 130.0 2.578 4.456 1.460 0.000 -0.096 0.000 3/21840 140.0 2.412 4.212 1.373 0.000 -0.094 0.000 3/21840 150.0 2.265 3.991 1.297 0.000 -0.091 0.000 3/21840 160.0 2.135 3.789 1.228 0.000 -0.089 0.000 3/21840 170.0 2.020 3.605 1.166 0.000 -0.086 0.000 3/21840 180.0 1.916 3.437 1.110 0.000 -0.084 0.000 3/21840 190.0 1.822 3.283 1.060 0.000 -0.082 0.000 3/21840 200.0 1.737 3.142 1.013 0.000 -0.079 0.000 3/21840 210.0 1.660 3.011 0.971 0.000 -0.077 0.000 3/21840 220.0 1.589 2.891 0.932 0.000 -0.075 0.000 3/21840 230.0 1.525 2.779 0.895 0.000 -0.073 0.000 3/21840 240.0 1.465 2.676 0.862 0.000 -0.071 0.000 3/21840 250.0 1.409 2.579 0.831 0.000 -0.070 0.000 3/21840 260.0 1.358 2.489 0.802 0.000 -0.068 0.000 3/21840 270.0 1.310 2.405 0.775 0.000 -0.066 0.000 3/21840 280.0 1.266 2.327 0.750 0.000 -0.064 0.000 3/21840 290.0 1.224 2.253 0.726 0.000 -0.063 0.000 3/21840 300.0 1.186 2.184 0.704 0.000 -0.061 0.000 3/21840 310.0 1.149 2.119 0.683 0.000 -0.060 0.000 3/21840 320.0 1.115 2.057 0.663 0.000 -0.058 0.000 3/21840 330.0 1.082 1.999 0.644 0.000 -0.057 0.000 3/21840 340.0 1.052 1.944 0.627 0.000 -0.056 0.000 3/21840 350.0 1.023 1.892 0.610 0.000 -0.055 0.000 3/21840 360.0 0.996 1.843 0.594 0.000 -0.053 0.000 3/21840 370.0 0.970 1.796 0.579 0.000 -0.052 0.000 3/21840 380.0 0.945 1.751 0.565 0.000 -0.051 0.000 3/21840 390.0 0.922 1.709 0.551 0.000 -0.050 0.000 3/21840 400.0 0.900 1.668 0.538 0.000 -0.049 0.000 3/21840 410.0 0.878 1.630 0.526 0.000 -0.048 0.000 3/21840 420.0 0.858 1.593 0.514 0.000 -0.047 0.000 3/21840 430.0 0.839 1.557 0.503 0.000 -0.046 0.000 3/21840 440.0 0.820 1.524 0.492 0.000 -0.045 0.000 3/21840 450.0 0.803 1.491 0.481 0.000 -0.045 0.000 3/21840 460.0 0.786 1.460 0.472 0.000 -0.044 0.000 3/21840 470.0 0.769 1.431 0.462 0.000 -0.043 0.000 3/21840 480.0 0.754 1.402 0.453 0.000 -0.042 0.000 3/21840 490.0 0.739 1.374 0.444 0.000 -0.041 0.000 3/21840 500.0 0.725 1.348 0.435 0.000 -0.041 0.000 3/21840 510.0 0.711 1.323 0.427 0.000 -0.040 0.000 3/21840 520.0 0.697 1.298 0.419 0.000 -0.039 0.000 3/21840 530.0 0.685 1.275 0.412 0.000 -0.039 0.000 3/21840 540.0 0.672 1.252 0.405 0.000 -0.038 0.000 3/21840 550.0 0.660 1.230 0.397 0.000 -0.038 0.000 3/21840 560.0 0.649 1.209 0.391 0.000 -0.037 0.000 3/21840 570.0 0.638 1.188 0.384 0.000 -0.036 0.000 3/21840 580.0 0.627 1.168 0.378 0.000 -0.036 0.000 3/21840 590.0 0.617 1.149 0.372 0.000 -0.035 0.000 3/21840 600.0 0.606 1.131 0.366 0.000 -0.035 0.000 3/21840 610.0 0.597 1.113 0.360 0.000 -0.034 0.000 3/21840 620.0 0.587 1.095 0.354 0.000 -0.034 0.000 3/21840 630.0 0.578 1.078 0.349 0.000 -0.033 0.000 3/21840 640.0 0.569 1.062 0.343 0.000 -0.033 0.000 3/21840 650.0 0.561 1.046 0.338 0.000 -0.032 0.000 3/21840 660.0 0.552 1.031 0.333 0.000 -0.032 0.000 3/21840 670.0 0.544 1.016 0.329 0.000 -0.032 0.000 3/21840 680.0 0.537 1.001 0.324 0.000 -0.031 0.000 3/21840 690.0 0.529 0.987 0.319 0.000 -0.031 0.000 3/21840 700.0 0.521 0.973 0.315 0.000 -0.030 0.000 3/21840 710.0 0.514 0.960 0.311 0.000 -0.030 0.000 3/21840 720.0 0.507 0.947 0.306 0.000 -0.030 0.000 3/21840 730.0 0.500 0.934 0.302 0.000 -0.029 0.000 3/21840 740.0 0.494 0.922 0.298 0.000 -0.029 0.000 3/21840 750.0 0.487 0.910 0.295 0.000 -0.028 0.000 3/21840 760.0 0.481 0.898 0.291 0.000 -0.028 0.000 3/21840 770.0 0.475 0.887 0.287 0.000 -0.028 0.000 3/21840 780.0 0.469 0.876 0.284 0.000 -0.027 0.000 3/21840 790.0 0.463 0.865 0.280 0.000 -0.027 0.000 3/21840 800.0 0.457 0.854 0.277 0.000 -0.027 0.000 3/21840 810.0 0.452 0.844 0.273 0.000 -0.027 0.000 3/21840 820.0 0.446 0.834 0.270 0.000 -0.026 0.000 3/21840 830.0 0.441 0.824 0.267 0.000 -0.026 0.000 3/21840 840.0 0.436 0.814 0.264 0.000 -0.026 0.000 3/21840 850.0 0.431 0.805 0.261 0.000 -0.025 0.000 3/21840 860.0 0.426 0.796 0.258 0.000 -0.025 0.000 3/21840 870.0 0.421 0.787 0.255 0.000 -0.025 0.000 3/21840 880.0 0.416 0.778 0.252 0.000 -0.025 0.000 3/21840 890.0 0.412 0.770 0.249 0.000 -0.024 0.000 3/21840 900.0 0.407 0.761 0.247 0.000 -0.024 0.000 3/21840 910.0 0.403 0.753 0.244 0.000 -0.024 0.000 3/21840 920.0 0.399 0.745 0.241 0.000 -0.024 0.000 3/21840 930.0 0.394 0.737 0.239 0.000 -0.023 0.000 3/21840 940.0 0.390 0.729 0.236 0.000 -0.023 0.000 3/21840 950.0 0.386 0.722 0.234 0.000 -0.023 0.000 3/21840 960.0 0.382 0.714 0.231 0.000 -0.023 0.000 3/21840 970.0 0.378 0.707 0.229 0.000 -0.022 0.000 3/21840 980.0 0.374 0.700 0.227 0.000 -0.022 0.000 3/21840 990.0 0.371 0.693 0.225 0.000 -0.022 0.000 3/21840 1000.0 0.367 0.686 0.222 0.000 -0.022 0.000 3/21840 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:39:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|