----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:00:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.640822470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.562479390000000 2.820256125000000 c 0.000000000000000 -9.562479390000000 2.820256125000000 Atomic positions (fractional): *1 Cu 0.50000000000000 0.55892932954387 0.55892932954387 63.546 2 Cu 0.00000000000000 0.55892932954387 0.55892932954387 63.546 *3 Cu 0.25000000000000 0.93932891144716 0.14995434155316 63.546 4 Cu 0.75000000000000 0.14995434155316 0.93932891144716 63.546 *5 Se 0.75000000000000 0.50135416328196 0.08410528550703 78.960 *6 Se 0.25000000000000 0.29261857209472 0.29760949807971 78.960 *7 Se 0.99210538749275 0.68970825718131 0.90052961572663 78.960 8 Se 0.00789461250725 0.90052961572663 0.68970825718131 78.960 9 Se 0.50789461250725 0.68970825718131 0.90052961572663 78.960 10 Se 0.49210538749275 0.90052961572663 0.68970825718131 78.960 11 Se 0.75000000000000 0.29760949807971 0.29261857209472 78.960 12 Se 0.25000000000000 0.08410528550703 0.50135416328196 78.960 *13 Rb 0.75000000000000 0.11635088912234 0.48355704254224 85.468 14 Rb 0.25000000000000 0.48355704254224 0.11635088912234 85.468 *15 Ta 0.75000000000000 0.65257278620879 0.43773400525927 180.948 16 Ta 0.25000000000000 0.43773400525928 0.65257278620879 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.640822470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 19.124958780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.640512250000000 Atomic positions (fractional): *1 Cu 0.50000000000000 0.00000000000000 0.55892932954387 63.546 > 1 2 Cu 0.00000000000000 0.00000000000000 0.55892932954387 63.546 > 2 *3 Cu 0.25000000000000 0.89468728494700 0.04464162650016 63.546 > 3 4 Cu 0.75000000000000 0.60531271505300 0.54464162650016 63.546 > 4 5 Cu 0.50000000000000 0.50000000000000 0.05892932954387 63.546 > 1 6 Cu 0.00000000000000 0.50000000000000 0.05892932954387 63.546 > 2 7 Cu 0.25000000000000 0.39468728494700 0.54464162650016 63.546 > 3 8 Cu 0.75000000000000 0.10531271505300 0.04464162650016 63.546 > 4 *9 Se 0.75000000000000 0.70862443888747 0.79272972439449 78.960 > 5 *10 Se 0.25000000000000 0.99750453700750 0.29511403508722 78.960 > 6 *11 Se 0.99210538749275 0.89458932072734 0.79511893645397 78.960 > 7 12 Se 0.00789461250725 0.60541067927266 0.29511893645397 78.960 > 8 13 Se 0.50789461250725 0.89458932072734 0.79511893645397 78.960 > 9 14 Se 0.49210538749275 0.60541067927266 0.29511893645397 78.960 > 10 15 Se 0.75000000000000 0.50249546299250 0.79511403508722 78.960 > 11 16 Se 0.25000000000000 0.79137556111253 0.29272972439449 78.960 > 12 17 Se 0.75000000000000 0.20862443888747 0.29272972439449 78.960 > 5 18 Se 0.25000000000000 0.49750453700751 0.79511403508722 78.960 > 6 19 Se 0.99210538749275 0.39458932072734 0.29511893645397 78.960 > 7 20 Se 0.00789461250725 0.10541067927266 0.79511893645397 78.960 > 8 21 Se 0.50789461250725 0.39458932072734 0.29511893645397 78.960 > 9 22 Se 0.49210538749275 0.10541067927266 0.79511893645397 78.960 > 10 23 Se 0.75000000000000 0.00249546299250 0.29511403508722 78.960 > 11 24 Se 0.25000000000000 0.29137556111253 0.79272972439449 78.960 > 12 *25 Rb 0.75000000000000 0.81639692329005 0.29995396583229 85.468 > 13 26 Rb 0.25000000000000 0.68360307670995 0.79995396583229 85.468 > 14 27 Rb 0.75000000000000 0.31639692329005 0.79995396583229 85.468 > 13 28 Rb 0.25000000000000 0.18360307670995 0.29995396583229 85.468 > 14 *29 Ta 0.75000000000000 0.60741939047476 0.04515339573403 180.948 > 15 30 Ta 0.25000000000000 0.89258060952524 0.54515339573403 180.948 > 16 31 Ta 0.75000000000000 0.10741939047476 0.54515339573403 180.948 > 15 32 Ta 0.25000000000000 0.39258060952524 0.04515339573403 180.948 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.281644940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 19.124958780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.281024499999999 Atomic positions (fractional): *1 Cu 0.25000000000000 0.00000000000000 0.27946466477193 63.546 > 1 2 Cu 0.75000000000000 0.00000000000000 0.27946466477193 63.546 > 1 3 Cu 0.25000000000000 0.00000000000000 0.77946466477193 63.546 > 1 4 Cu 0.75000000000000 0.00000000000000 0.77946466477193 63.546 > 1 5 Cu 0.00000000000000 0.00000000000000 0.27946466477193 63.546 > 2 6 Cu 0.50000000000000 0.00000000000000 0.27946466477193 63.546 > 2 7 Cu 0.00000000000000 0.00000000000000 0.77946466477193 63.546 > 2 8 Cu 0.50000000000000 0.00000000000000 0.77946466477193 63.546 > 2 *9 Cu 0.12500000000000 0.89468728494700 0.02232081325008 63.546 > 3 10 Cu 0.62500000000000 0.89468728494700 0.02232081325008 63.546 > 3 11 Cu 0.12500000000000 0.89468728494700 0.52232081325008 63.546 > 3 12 Cu 0.62500000000000 0.89468728494700 0.52232081325008 63.546 > 3 13 Cu 0.37500000000000 0.60531271505300 0.27232081325008 63.546 > 4 14 Cu 0.87500000000000 0.60531271505300 0.27232081325008 63.546 > 4 15 Cu 0.37500000000000 0.60531271505300 0.77232081325008 63.546 > 4 16 Cu 0.87500000000000 0.60531271505300 0.77232081325008 63.546 > 4 17 Cu 0.25000000000000 0.50000000000000 0.02946466477193 63.546 > 1 18 Cu 0.75000000000000 0.50000000000000 0.02946466477193 63.546 > 1 19 Cu 0.25000000000000 0.50000000000000 0.52946466477193 63.546 > 1 20 Cu 0.75000000000000 0.50000000000000 0.52946466477193 63.546 > 1 21 Cu 0.00000000000000 0.50000000000000 0.02946466477193 63.546 > 2 22 Cu 0.50000000000000 0.50000000000000 0.02946466477193 63.546 > 2 23 Cu 0.00000000000000 0.50000000000000 0.52946466477193 63.546 > 2 24 Cu 0.50000000000000 0.50000000000000 0.52946466477193 63.546 > 2 25 Cu 0.12500000000000 0.39468728494700 0.27232081325008 63.546 > 3 26 Cu 0.62500000000000 0.39468728494700 0.27232081325008 63.546 > 3 27 Cu 0.12500000000000 0.39468728494700 0.77232081325008 63.546 > 3 28 Cu 0.62500000000000 0.39468728494700 0.77232081325008 63.546 > 3 29 Cu 0.37500000000000 0.10531271505300 0.02232081325008 63.546 > 4 30 Cu 0.87500000000000 0.10531271505300 0.02232081325008 63.546 > 4 31 Cu 0.37500000000000 0.10531271505300 0.52232081325008 63.546 > 4 32 Cu 0.87500000000000 0.10531271505300 0.52232081325008 63.546 > 4 *33 Se 0.37500000000000 0.70862443888747 0.39636486219725 78.960 > 5 34 Se 0.87500000000000 0.70862443888747 0.39636486219725 78.960 > 5 35 Se 0.37500000000000 0.70862443888747 0.89636486219725 78.960 > 5 36 Se 0.87500000000000 0.70862443888747 0.89636486219725 78.960 > 5 *37 Se 0.12500000000000 0.99750453700750 0.14755701754361 78.960 > 6 38 Se 0.62500000000000 0.99750453700750 0.14755701754361 78.960 > 6 39 Se 0.12500000000000 0.99750453700750 0.64755701754361 78.960 > 6 40 Se 0.62500000000000 0.99750453700750 0.64755701754361 78.960 > 6 *41 Se 0.49605269374638 0.89458932072734 0.39755946822699 78.960 > 7 42 Se 0.99605269374638 0.89458932072734 0.39755946822699 78.960 > 7 43 Se 0.49605269374638 0.89458932072734 0.89755946822699 78.960 > 7 44 Se 0.99605269374638 0.89458932072734 0.89755946822699 78.960 > 7 45 Se 0.00394730625362 0.60541067927266 0.14755946822699 78.960 > 8 46 Se 0.50394730625362 0.60541067927266 0.14755946822699 78.960 > 8 47 Se 0.00394730625362 0.60541067927266 0.64755946822699 78.960 > 8 48 Se 0.50394730625362 0.60541067927266 0.64755946822699 78.960 > 8 49 Se 0.25394730625362 0.89458932072734 0.39755946822699 78.960 > 9 50 Se 0.75394730625362 0.89458932072734 0.39755946822699 78.960 > 9 51 Se 0.25394730625362 0.89458932072734 0.89755946822699 78.960 > 9 52 Se 0.75394730625362 0.89458932072734 0.89755946822699 78.960 > 9 53 Se 0.24605269374638 0.60541067927266 0.14755946822699 78.960 > 10 54 Se 0.74605269374638 0.60541067927266 0.14755946822699 78.960 > 10 55 Se 0.24605269374638 0.60541067927266 0.64755946822699 78.960 > 10 56 Se 0.74605269374638 0.60541067927266 0.64755946822699 78.960 > 10 57 Se 0.37500000000000 0.50249546299250 0.39755701754361 78.960 > 11 58 Se 0.87500000000000 0.50249546299250 0.39755701754361 78.960 > 11 59 Se 0.37500000000000 0.50249546299250 0.89755701754361 78.960 > 11 60 Se 0.87500000000000 0.50249546299250 0.89755701754361 78.960 > 11 61 Se 0.12500000000000 0.79137556111253 0.14636486219725 78.960 > 12 62 Se 0.62500000000000 0.79137556111253 0.14636486219725 78.960 > 12 63 Se 0.12500000000000 0.79137556111253 0.64636486219725 78.960 > 12 64 Se 0.62500000000000 0.79137556111253 0.64636486219725 78.960 > 12 65 Se 0.37500000000000 0.20862443888747 0.14636486219725 78.960 > 5 66 Se 0.87500000000000 0.20862443888747 0.14636486219725 78.960 > 5 67 Se 0.37500000000000 0.20862443888747 0.64636486219725 78.960 > 5 68 Se 0.87500000000000 0.20862443888747 0.64636486219725 78.960 > 5 69 Se 0.12500000000000 0.49750453700751 0.39755701754361 78.960 > 6 70 Se 0.62500000000000 0.49750453700751 0.39755701754361 78.960 > 6 71 Se 0.12500000000000 0.49750453700751 0.89755701754361 78.960 > 6 72 Se 0.62500000000000 0.49750453700751 0.89755701754361 78.960 > 6 73 Se 0.49605269374638 0.39458932072734 0.14755946822699 78.960 > 7 74 Se 0.99605269374638 0.39458932072734 0.14755946822699 78.960 > 7 75 Se 0.49605269374638 0.39458932072734 0.64755946822699 78.960 > 7 76 Se 0.99605269374638 0.39458932072734 0.64755946822699 78.960 > 7 77 Se 0.00394730625362 0.10541067927266 0.39755946822699 78.960 > 8 78 Se 0.50394730625362 0.10541067927266 0.39755946822699 78.960 > 8 79 Se 0.00394730625362 0.10541067927266 0.89755946822699 78.960 > 8 80 Se 0.50394730625362 0.10541067927266 0.89755946822699 78.960 > 8 81 Se 0.25394730625362 0.39458932072734 0.14755946822699 78.960 > 9 82 Se 0.75394730625362 0.39458932072734 0.14755946822699 78.960 > 9 83 Se 0.25394730625362 0.39458932072734 0.64755946822699 78.960 > 9 84 Se 0.75394730625362 0.39458932072734 0.64755946822699 78.960 > 9 85 Se 0.24605269374638 0.10541067927266 0.39755946822699 78.960 > 10 86 Se 0.74605269374638 0.10541067927266 0.39755946822699 78.960 > 10 87 Se 0.24605269374638 0.10541067927266 0.89755946822699 78.960 > 10 88 Se 0.74605269374638 0.10541067927266 0.89755946822699 78.960 > 10 89 Se 0.37500000000000 0.00249546299250 0.14755701754361 78.960 > 11 90 Se 0.87500000000000 0.00249546299250 0.14755701754361 78.960 > 11 91 Se 0.37500000000000 0.00249546299250 0.64755701754361 78.960 > 11 92 Se 0.87500000000000 0.00249546299250 0.64755701754361 78.960 > 11 93 Se 0.12500000000000 0.29137556111253 0.39636486219725 78.960 > 12 94 Se 0.62500000000000 0.29137556111253 0.39636486219725 78.960 > 12 95 Se 0.12500000000000 0.29137556111253 0.89636486219725 78.960 > 12 96 Se 0.62500000000000 0.29137556111253 0.89636486219725 78.960 > 12 *97 Rb 0.37500000000000 0.81639692329005 0.14997698291614 85.468 > 13 98 Rb 0.87500000000000 0.81639692329005 0.14997698291614 85.468 > 13 99 Rb 0.37500000000000 0.81639692329005 0.64997698291614 85.468 > 13 100 Rb 0.87500000000000 0.81639692329005 0.64997698291614 85.468 > 13 101 Rb 0.12500000000000 0.68360307670995 0.39997698291614 85.468 > 14 102 Rb 0.62500000000000 0.68360307670995 0.39997698291614 85.468 > 14 103 Rb 0.12500000000000 0.68360307670995 0.89997698291614 85.468 > 14 104 Rb 0.62500000000000 0.68360307670995 0.89997698291614 85.468 > 14 105 Rb 0.37500000000000 0.31639692329005 0.39997698291614 85.468 > 13 106 Rb 0.87500000000000 0.31639692329005 0.39997698291614 85.468 > 13 107 Rb 0.37500000000000 0.31639692329005 0.89997698291614 85.468 > 13 108 Rb 0.87500000000000 0.31639692329005 0.89997698291614 85.468 > 13 109 Rb 0.12500000000000 0.18360307670995 0.14997698291614 85.468 > 14 110 Rb 0.62500000000000 0.18360307670995 0.14997698291614 85.468 > 14 111 Rb 0.12500000000000 0.18360307670995 0.64997698291614 85.468 > 14 112 Rb 0.62500000000000 0.18360307670995 0.64997698291614 85.468 > 14 *113 Ta 0.37500000000000 0.60741939047476 0.02257669786702 180.948 > 15 114 Ta 0.87500000000000 0.60741939047476 0.02257669786702 180.948 > 15 115 Ta 0.37500000000000 0.60741939047476 0.52257669786702 180.948 > 15 116 Ta 0.87500000000000 0.60741939047476 0.52257669786702 180.948 > 15 117 Ta 0.12500000000000 0.89258060952524 0.27257669786702 180.948 > 16 118 Ta 0.62500000000000 0.89258060952524 0.27257669786702 180.948 > 16 119 Ta 0.12500000000000 0.89258060952524 0.77257669786702 180.948 > 16 120 Ta 0.62500000000000 0.89258060952524 0.77257669786702 180.948 > 16 121 Ta 0.37500000000000 0.10741939047476 0.27257669786702 180.948 > 15 122 Ta 0.87500000000000 0.10741939047476 0.27257669786702 180.948 > 15 123 Ta 0.37500000000000 0.10741939047476 0.77257669786702 180.948 > 15 124 Ta 0.87500000000000 0.10741939047476 0.77257669786702 180.948 > 15 125 Ta 0.12500000000000 0.39258060952524 0.02257669786702 180.948 > 16 126 Ta 0.62500000000000 0.39258060952524 0.02257669786702 180.948 > 16 127 Ta 0.12500000000000 0.39258060952524 0.52257669786702 180.948 > 16 128 Ta 0.62500000000000 0.39258060952524 0.52257669786702 180.948 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9528249 0.0000000 0.0000000 0.0000000 5.4992727 0.0000000 0.0000000 0.0000000 6.6394114 -------------------------- Born effective charges -------------------------- 1 Cu 0.2250994 -0.0715309 0.0000000 -0.0412981 0.1424514 -0.0000000 0.0000000 -0.0000000 0.4221563 2 Cu 0.2250994 0.0715309 0.0000000 0.0412981 0.1424514 -0.0000000 0.0000000 -0.0000000 0.4221563 3 Cu 0.3479980 0.0000000 0.0000000 0.0000000 0.3278072 -0.0643820 0.0000000 -0.0298163 0.0870935 4 Cu 0.3479980 0.0000000 0.0000000 0.0000000 0.3278072 0.0643820 0.0000000 0.0298163 0.0870935 5 Se -0.2894618 0.0000000 0.0000000 0.0000000 -1.8178737 0.6128303 0.0000000 1.1937936 -1.5099123 6 Se -0.1921466 0.0000000 0.0000000 0.0000000 -1.0305155 0.5061234 0.0000000 0.6401922 -0.5927868 7 Se -1.4149408 -0.0722201 0.5088782 0.0862594 -0.1986006 0.0921013 0.8975467 0.2497871 -1.0805137 8 Se -1.4149408 -0.0722201 -0.5088782 0.0862594 -0.1986006 -0.0921013 -0.8975467 -0.2497871 -1.0805137 9 Se -1.4149408 0.0722201 -0.5088782 -0.0862594 -0.1986006 0.0921013 -0.8975467 0.2497871 -1.0805137 10 Se -1.4149408 0.0722201 0.5088782 -0.0862594 -0.1986006 -0.0921013 0.8975467 -0.2497871 -1.0805137 11 Se -0.1921466 0.0000000 0.0000000 0.0000000 -1.0305155 -0.5061234 0.0000000 -0.6401922 -0.5927868 12 Se -0.2894618 0.0000000 0.0000000 0.0000000 -1.8178737 -0.6128303 0.0000000 -1.1937936 -1.5099123 13 Rb 1.4817540 0.0000000 0.0000000 0.0000000 1.6783079 -0.0026312 0.0000000 0.0049672 1.3685256 14 Rb 1.4817540 0.0000000 0.0000000 0.0000000 1.6783079 0.0026312 0.0000000 -0.0049672 1.3685256 15 Ta 1.2566387 0.0000000 0.0000000 0.0000000 1.0970238 -0.5101741 0.0000000 -0.6730995 2.3859511 16 Ta 1.2566387 0.0000000 0.0000000 0.0000000 1.0970238 0.5101741 0.0000000 0.6730995 2.3859511 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2428 Number of blocks in projector: 2428 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: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 608 / 608 (1) 98 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2428, 2389), data: False |-- (332, 325), data: True |-- (332, 325), data: True |-- (332, 325), data: True |-- (408, 406), data: True |-- (416, 412), data: True |-- (608, 596), data: False |-- (608, 10), data: (608, 22) @ (22, 10) |-- (108, 98), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 480 - Time: 0.965 Solver_block: 200 / 480 - Time: 0.911 Solver_block: 300 / 480 - Time: 0.935 Solver_block: 400 / 480 - Time: 0.909 Solver_block: 480 / 480 - Time: 0.857 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.664 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2428 Number of blocks in projector: 2428 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: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 608 / 608 (1) 98 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2428, 2389), data: False |-- (332, 325), data: True |-- (332, 325), data: True |-- (332, 325), data: True |-- (408, 406), data: True |-- (416, 412), data: True |-- (608, 596), data: False |-- (608, 10), data: (608, 22) @ (22, 10) |-- (108, 98), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (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 00:00:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:00:50]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.640822470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.562479390000000 2.820256125000000 c 0.000000000000000 -9.562479390000000 2.820256125000000 Atomic positions (fractional): 1 Cu 0.50000000000000 0.55892932954387 0.55892932954387 63.546 2 Cu 0.00000000000000 0.55892932954387 0.55892932954387 63.546 3 Cu 0.25000000000000 0.93932891144716 0.14995434155316 63.546 4 Cu 0.75000000000000 0.14995434155316 0.93932891144716 63.546 5 Se 0.75000000000000 0.50135416328196 0.08410528550703 78.960 6 Se 0.25000000000000 0.29261857209472 0.29760949807971 78.960 7 Se 0.99210538749275 0.68970825718131 0.90052961572663 78.960 8 Se 0.00789461250725 0.90052961572663 0.68970825718131 78.960 9 Se 0.50789461250725 0.68970825718131 0.90052961572663 78.960 10 Se 0.49210538749275 0.90052961572663 0.68970825718131 78.960 11 Se 0.75000000000000 0.29760949807971 0.29261857209472 78.960 12 Se 0.25000000000000 0.08410528550703 0.50135416328196 78.960 13 Rb 0.75000000000000 0.11635088912234 0.48355704254224 85.468 14 Rb 0.25000000000000 0.48355704254224 0.11635088912234 85.468 15 Ta 0.75000000000000 0.65257278620879 0.43773400525927 180.948 16 Ta 0.25000000000000 0.43773400525928 0.65257278620879 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.281644940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 19.124958780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.281024499999999 Atomic positions (fractional): 1 Cu 0.25000000000000 0.00000000000000 0.27946466477193 63.546 > 1 2 Cu 0.75000000000000 0.00000000000000 0.27946466477193 63.546 > 1 3 Cu 0.25000000000000 0.00000000000000 0.77946466477193 63.546 > 1 4 Cu 0.75000000000000 0.00000000000000 0.77946466477193 63.546 > 1 5 Cu 0.00000000000000 0.00000000000000 0.27946466477193 63.546 > 5 6 Cu 0.50000000000000 0.00000000000000 0.27946466477193 63.546 > 5 7 Cu 0.00000000000000 0.00000000000000 0.77946466477193 63.546 > 5 8 Cu 0.50000000000000 0.00000000000000 0.77946466477193 63.546 > 5 9 Cu 0.12500000000000 0.89468728494700 0.02232081325008 63.546 > 9 10 Cu 0.62500000000000 0.89468728494700 0.02232081325008 63.546 > 9 11 Cu 0.12500000000000 0.89468728494700 0.52232081325008 63.546 > 9 12 Cu 0.62500000000000 0.89468728494700 0.52232081325008 63.546 > 9 13 Cu 0.37500000000000 0.60531271505300 0.27232081325008 63.546 > 13 14 Cu 0.87500000000000 0.60531271505300 0.27232081325008 63.546 > 13 15 Cu 0.37500000000000 0.60531271505300 0.77232081325008 63.546 > 13 16 Cu 0.87500000000000 0.60531271505300 0.77232081325008 63.546 > 13 17 Cu 0.25000000000000 0.50000000000000 0.02946466477193 63.546 > 1 18 Cu 0.75000000000000 0.50000000000000 0.02946466477193 63.546 > 1 19 Cu 0.25000000000000 0.50000000000000 0.52946466477193 63.546 > 1 20 Cu 0.75000000000000 0.50000000000000 0.52946466477193 63.546 > 1 21 Cu 0.00000000000000 0.50000000000000 0.02946466477193 63.546 > 5 22 Cu 0.50000000000000 0.50000000000000 0.02946466477193 63.546 > 5 23 Cu 0.00000000000000 0.50000000000000 0.52946466477193 63.546 > 5 24 Cu 0.50000000000000 0.50000000000000 0.52946466477193 63.546 > 5 25 Cu 0.12500000000000 0.39468728494700 0.27232081325008 63.546 > 9 26 Cu 0.62500000000000 0.39468728494700 0.27232081325008 63.546 > 9 27 Cu 0.12500000000000 0.39468728494700 0.77232081325008 63.546 > 9 28 Cu 0.62500000000000 0.39468728494700 0.77232081325008 63.546 > 9 29 Cu 0.37500000000000 0.10531271505300 0.02232081325008 63.546 > 13 30 Cu 0.87500000000000 0.10531271505300 0.02232081325008 63.546 > 13 31 Cu 0.37500000000000 0.10531271505300 0.52232081325008 63.546 > 13 32 Cu 0.87500000000000 0.10531271505300 0.52232081325008 63.546 > 13 33 Se 0.37500000000000 0.70862443888747 0.39636486219725 78.960 > 33 34 Se 0.87500000000000 0.70862443888747 0.39636486219725 78.960 > 33 35 Se 0.37500000000000 0.70862443888747 0.89636486219725 78.960 > 33 36 Se 0.87500000000000 0.70862443888747 0.89636486219725 78.960 > 33 37 Se 0.12500000000000 0.99750453700750 0.14755701754361 78.960 > 37 38 Se 0.62500000000000 0.99750453700750 0.14755701754361 78.960 > 37 39 Se 0.12500000000000 0.99750453700750 0.64755701754361 78.960 > 37 40 Se 0.62500000000000 0.99750453700750 0.64755701754361 78.960 > 37 41 Se 0.49605269374638 0.89458932072734 0.39755946822699 78.960 > 41 42 Se 0.99605269374638 0.89458932072734 0.39755946822699 78.960 > 41 43 Se 0.49605269374638 0.89458932072734 0.89755946822699 78.960 > 41 44 Se 0.99605269374638 0.89458932072734 0.89755946822699 78.960 > 41 45 Se 0.00394730625362 0.60541067927266 0.14755946822699 78.960 > 45 46 Se 0.50394730625362 0.60541067927266 0.14755946822699 78.960 > 45 47 Se 0.00394730625362 0.60541067927266 0.64755946822699 78.960 > 45 48 Se 0.50394730625362 0.60541067927266 0.64755946822699 78.960 > 45 49 Se 0.25394730625362 0.89458932072734 0.39755946822699 78.960 > 49 50 Se 0.75394730625362 0.89458932072734 0.39755946822699 78.960 > 49 51 Se 0.25394730625362 0.89458932072734 0.89755946822699 78.960 > 49 52 Se 0.75394730625362 0.89458932072734 0.89755946822699 78.960 > 49 53 Se 0.24605269374638 0.60541067927266 0.14755946822699 78.960 > 53 54 Se 0.74605269374638 0.60541067927266 0.14755946822699 78.960 > 53 55 Se 0.24605269374638 0.60541067927266 0.64755946822699 78.960 > 53 56 Se 0.74605269374638 0.60541067927266 0.64755946822699 78.960 > 53 57 Se 0.37500000000000 0.50249546299250 0.39755701754361 78.960 > 57 58 Se 0.87500000000000 0.50249546299250 0.39755701754361 78.960 > 57 59 Se 0.37500000000000 0.50249546299250 0.89755701754361 78.960 > 57 60 Se 0.87500000000000 0.50249546299250 0.89755701754361 78.960 > 57 61 Se 0.12500000000000 0.79137556111253 0.14636486219725 78.960 > 61 62 Se 0.62500000000000 0.79137556111253 0.14636486219725 78.960 > 61 63 Se 0.12500000000000 0.79137556111253 0.64636486219725 78.960 > 61 64 Se 0.62500000000000 0.79137556111253 0.64636486219725 78.960 > 61 65 Se 0.37500000000000 0.20862443888747 0.14636486219725 78.960 > 33 66 Se 0.87500000000000 0.20862443888747 0.14636486219725 78.960 > 33 67 Se 0.37500000000000 0.20862443888747 0.64636486219725 78.960 > 33 68 Se 0.87500000000000 0.20862443888747 0.64636486219725 78.960 > 33 69 Se 0.12500000000000 0.49750453700751 0.39755701754361 78.960 > 37 70 Se 0.62500000000000 0.49750453700751 0.39755701754361 78.960 > 37 71 Se 0.12500000000000 0.49750453700751 0.89755701754361 78.960 > 37 72 Se 0.62500000000000 0.49750453700751 0.89755701754361 78.960 > 37 73 Se 0.49605269374638 0.39458932072734 0.14755946822699 78.960 > 41 74 Se 0.99605269374638 0.39458932072734 0.14755946822699 78.960 > 41 75 Se 0.49605269374638 0.39458932072734 0.64755946822699 78.960 > 41 76 Se 0.99605269374638 0.39458932072734 0.64755946822699 78.960 > 41 77 Se 0.00394730625362 0.10541067927266 0.39755946822699 78.960 > 45 78 Se 0.50394730625362 0.10541067927266 0.39755946822699 78.960 > 45 79 Se 0.00394730625362 0.10541067927266 0.89755946822699 78.960 > 45 80 Se 0.50394730625362 0.10541067927266 0.89755946822699 78.960 > 45 81 Se 0.25394730625362 0.39458932072734 0.14755946822699 78.960 > 49 82 Se 0.75394730625362 0.39458932072734 0.14755946822699 78.960 > 49 83 Se 0.25394730625362 0.39458932072734 0.64755946822699 78.960 > 49 84 Se 0.75394730625362 0.39458932072734 0.64755946822699 78.960 > 49 85 Se 0.24605269374638 0.10541067927266 0.39755946822699 78.960 > 53 86 Se 0.74605269374638 0.10541067927266 0.39755946822699 78.960 > 53 87 Se 0.24605269374638 0.10541067927266 0.89755946822699 78.960 > 53 88 Se 0.74605269374638 0.10541067927266 0.89755946822699 78.960 > 53 89 Se 0.37500000000000 0.00249546299250 0.14755701754361 78.960 > 57 90 Se 0.87500000000000 0.00249546299250 0.14755701754361 78.960 > 57 91 Se 0.37500000000000 0.00249546299250 0.64755701754361 78.960 > 57 92 Se 0.87500000000000 0.00249546299250 0.64755701754361 78.960 > 57 93 Se 0.12500000000000 0.29137556111253 0.39636486219725 78.960 > 61 94 Se 0.62500000000000 0.29137556111253 0.39636486219725 78.960 > 61 95 Se 0.12500000000000 0.29137556111253 0.89636486219725 78.960 > 61 96 Se 0.62500000000000 0.29137556111253 0.89636486219725 78.960 > 61 97 Rb 0.37500000000000 0.81639692329005 0.14997698291614 85.468 > 97 98 Rb 0.87500000000000 0.81639692329005 0.14997698291614 85.468 > 97 99 Rb 0.37500000000000 0.81639692329005 0.64997698291614 85.468 > 97 100 Rb 0.87500000000000 0.81639692329005 0.64997698291614 85.468 > 97 101 Rb 0.12500000000000 0.68360307670995 0.39997698291614 85.468 > 101 102 Rb 0.62500000000000 0.68360307670995 0.39997698291614 85.468 > 101 103 Rb 0.12500000000000 0.68360307670995 0.89997698291614 85.468 > 101 104 Rb 0.62500000000000 0.68360307670995 0.89997698291614 85.468 > 101 105 Rb 0.37500000000000 0.31639692329005 0.39997698291614 85.468 > 97 106 Rb 0.87500000000000 0.31639692329005 0.39997698291614 85.468 > 97 107 Rb 0.37500000000000 0.31639692329005 0.89997698291614 85.468 > 97 108 Rb 0.87500000000000 0.31639692329005 0.89997698291614 85.468 > 97 109 Rb 0.12500000000000 0.18360307670995 0.14997698291614 85.468 > 101 110 Rb 0.62500000000000 0.18360307670995 0.14997698291614 85.468 > 101 111 Rb 0.12500000000000 0.18360307670995 0.64997698291614 85.468 > 101 112 Rb 0.62500000000000 0.18360307670995 0.64997698291614 85.468 > 101 113 Ta 0.37500000000000 0.60741939047476 0.02257669786702 180.948 > 113 114 Ta 0.87500000000000 0.60741939047476 0.02257669786702 180.948 > 113 115 Ta 0.37500000000000 0.60741939047476 0.52257669786702 180.948 > 113 116 Ta 0.87500000000000 0.60741939047476 0.52257669786702 180.948 > 113 117 Ta 0.12500000000000 0.89258060952524 0.27257669786702 180.948 > 117 118 Ta 0.62500000000000 0.89258060952524 0.27257669786702 180.948 > 117 119 Ta 0.12500000000000 0.89258060952524 0.77257669786702 180.948 > 117 120 Ta 0.62500000000000 0.89258060952524 0.77257669786702 180.948 > 117 121 Ta 0.37500000000000 0.10741939047476 0.27257669786702 180.948 > 113 122 Ta 0.87500000000000 0.10741939047476 0.27257669786702 180.948 > 113 123 Ta 0.37500000000000 0.10741939047476 0.77257669786702 180.948 > 113 124 Ta 0.87500000000000 0.10741939047476 0.77257669786702 180.948 > 113 125 Ta 0.12500000000000 0.39258060952524 0.02257669786702 180.948 > 117 126 Ta 0.62500000000000 0.39258060952524 0.02257669786702 180.948 > 117 127 Ta 0.12500000000000 0.39258060952524 0.52257669786702 180.948 > 117 128 Ta 0.62500000000000 0.39258060952524 0.52257669786702 180.948 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9528249 0.0000000 0.0000000 0.0000000 5.4992727 0.0000000 0.0000000 0.0000000 6.6394114 -------------------------- Born effective charges -------------------------- 1 Cu 0.2250994 -0.0715309 0.0000000 -0.0412981 0.1424514 -0.0000000 0.0000000 -0.0000000 0.4221563 2 Cu 0.2250994 0.0715309 0.0000000 0.0412981 0.1424514 -0.0000000 0.0000000 -0.0000000 0.4221563 3 Cu 0.3479980 0.0000000 0.0000000 0.0000000 0.3278072 -0.0643820 0.0000000 -0.0298163 0.0870935 4 Cu 0.3479980 0.0000000 0.0000000 0.0000000 0.3278072 0.0643820 0.0000000 0.0298163 0.0870935 5 Se -0.2894618 0.0000000 0.0000000 0.0000000 -1.8178737 0.6128303 0.0000000 1.1937936 -1.5099123 6 Se -0.1921466 0.0000000 0.0000000 0.0000000 -1.0305155 0.5061234 0.0000000 0.6401922 -0.5927868 7 Se -1.4149408 -0.0722201 0.5088782 0.0862594 -0.1986006 0.0921013 0.8975467 0.2497871 -1.0805137 8 Se -1.4149408 -0.0722201 -0.5088782 0.0862594 -0.1986006 -0.0921013 -0.8975467 -0.2497871 -1.0805137 9 Se -1.4149408 0.0722201 -0.5088782 -0.0862594 -0.1986006 0.0921013 -0.8975467 0.2497871 -1.0805137 10 Se -1.4149408 0.0722201 0.5088782 -0.0862594 -0.1986006 -0.0921013 0.8975467 -0.2497871 -1.0805137 11 Se -0.1921466 0.0000000 0.0000000 0.0000000 -1.0305155 -0.5061234 0.0000000 -0.6401922 -0.5927868 12 Se -0.2894618 0.0000000 0.0000000 0.0000000 -1.8178737 -0.6128303 0.0000000 -1.1937936 -1.5099123 13 Rb 1.4817540 0.0000000 0.0000000 0.0000000 1.6783079 -0.0026312 0.0000000 0.0049672 1.3685256 14 Rb 1.4817540 0.0000000 0.0000000 0.0000000 1.6783079 0.0026312 0.0000000 -0.0049672 1.3685256 15 Ta 1.2566387 0.0000000 0.0000000 0.0000000 1.0970238 -0.5101741 0.0000000 -0.6730995 2.3859511 16 Ta 1.2566387 0.0000000 0.0000000 0.0000000 1.0970238 0.5101741 0.0000000 0.6730995 2.3859511 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) 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 00:01:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:01:24]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.640822470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.562479390000000 2.820256125000000 c 0.000000000000000 -9.562479390000000 2.820256125000000 Atomic positions (fractional): 1 Cu 0.50000000000000 0.55892932954387 0.55892932954387 63.546 2 Cu 0.00000000000000 0.55892932954387 0.55892932954387 63.546 3 Cu 0.25000000000000 0.93932891144716 0.14995434155316 63.546 4 Cu 0.75000000000000 0.14995434155316 0.93932891144716 63.546 5 Se 0.75000000000000 0.50135416328196 0.08410528550703 78.960 6 Se 0.25000000000000 0.29261857209472 0.29760949807971 78.960 7 Se 0.99210538749275 0.68970825718131 0.90052961572663 78.960 8 Se 0.00789461250725 0.90052961572663 0.68970825718131 78.960 9 Se 0.50789461250725 0.68970825718131 0.90052961572663 78.960 10 Se 0.49210538749275 0.90052961572663 0.68970825718131 78.960 11 Se 0.75000000000000 0.29760949807971 0.29261857209472 78.960 12 Se 0.25000000000000 0.08410528550703 0.50135416328196 78.960 13 Rb 0.75000000000000 0.11635088912234 0.48355704254224 85.468 14 Rb 0.25000000000000 0.48355704254224 0.11635088912234 85.468 15 Ta 0.75000000000000 0.65257278620879 0.43773400525927 180.948 16 Ta 0.25000000000000 0.43773400525928 0.65257278620879 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.281644940000000 0.000000000000000 0.000000000000000 b 0.000000000000000 19.124958780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.281024499999999 Atomic positions (fractional): 1 Cu 0.25000000000000 0.00000000000000 0.27946466477193 63.546 > 1 2 Cu 0.75000000000000 0.00000000000000 0.27946466477193 63.546 > 1 3 Cu 0.25000000000000 0.00000000000000 0.77946466477193 63.546 > 1 4 Cu 0.75000000000000 0.00000000000000 0.77946466477193 63.546 > 1 5 Cu 0.00000000000000 0.00000000000000 0.27946466477193 63.546 > 5 6 Cu 0.50000000000000 0.00000000000000 0.27946466477193 63.546 > 5 7 Cu 0.00000000000000 0.00000000000000 0.77946466477193 63.546 > 5 8 Cu 0.50000000000000 0.00000000000000 0.77946466477193 63.546 > 5 9 Cu 0.12500000000000 0.89468728494700 0.02232081325008 63.546 > 9 10 Cu 0.62500000000000 0.89468728494700 0.02232081325008 63.546 > 9 11 Cu 0.12500000000000 0.89468728494700 0.52232081325008 63.546 > 9 12 Cu 0.62500000000000 0.89468728494700 0.52232081325008 63.546 > 9 13 Cu 0.37500000000000 0.60531271505300 0.27232081325008 63.546 > 13 14 Cu 0.87500000000000 0.60531271505300 0.27232081325008 63.546 > 13 15 Cu 0.37500000000000 0.60531271505300 0.77232081325008 63.546 > 13 16 Cu 0.87500000000000 0.60531271505300 0.77232081325008 63.546 > 13 17 Cu 0.25000000000000 0.50000000000000 0.02946466477193 63.546 > 1 18 Cu 0.75000000000000 0.50000000000000 0.02946466477193 63.546 > 1 19 Cu 0.25000000000000 0.50000000000000 0.52946466477193 63.546 > 1 20 Cu 0.75000000000000 0.50000000000000 0.52946466477193 63.546 > 1 21 Cu 0.00000000000000 0.50000000000000 0.02946466477193 63.546 > 5 22 Cu 0.50000000000000 0.50000000000000 0.02946466477193 63.546 > 5 23 Cu 0.00000000000000 0.50000000000000 0.52946466477193 63.546 > 5 24 Cu 0.50000000000000 0.50000000000000 0.52946466477193 63.546 > 5 25 Cu 0.12500000000000 0.39468728494700 0.27232081325008 63.546 > 9 26 Cu 0.62500000000000 0.39468728494700 0.27232081325008 63.546 > 9 27 Cu 0.12500000000000 0.39468728494700 0.77232081325008 63.546 > 9 28 Cu 0.62500000000000 0.39468728494700 0.77232081325008 63.546 > 9 29 Cu 0.37500000000000 0.10531271505300 0.02232081325008 63.546 > 13 30 Cu 0.87500000000000 0.10531271505300 0.02232081325008 63.546 > 13 31 Cu 0.37500000000000 0.10531271505300 0.52232081325008 63.546 > 13 32 Cu 0.87500000000000 0.10531271505300 0.52232081325008 63.546 > 13 33 Se 0.37500000000000 0.70862443888747 0.39636486219725 78.960 > 33 34 Se 0.87500000000000 0.70862443888747 0.39636486219725 78.960 > 33 35 Se 0.37500000000000 0.70862443888747 0.89636486219725 78.960 > 33 36 Se 0.87500000000000 0.70862443888747 0.89636486219725 78.960 > 33 37 Se 0.12500000000000 0.99750453700750 0.14755701754361 78.960 > 37 38 Se 0.62500000000000 0.99750453700750 0.14755701754361 78.960 > 37 39 Se 0.12500000000000 0.99750453700750 0.64755701754361 78.960 > 37 40 Se 0.62500000000000 0.99750453700750 0.64755701754361 78.960 > 37 41 Se 0.49605269374638 0.89458932072734 0.39755946822699 78.960 > 41 42 Se 0.99605269374638 0.89458932072734 0.39755946822699 78.960 > 41 43 Se 0.49605269374638 0.89458932072734 0.89755946822699 78.960 > 41 44 Se 0.99605269374638 0.89458932072734 0.89755946822699 78.960 > 41 45 Se 0.00394730625362 0.60541067927266 0.14755946822699 78.960 > 45 46 Se 0.50394730625362 0.60541067927266 0.14755946822699 78.960 > 45 47 Se 0.00394730625362 0.60541067927266 0.64755946822699 78.960 > 45 48 Se 0.50394730625362 0.60541067927266 0.64755946822699 78.960 > 45 49 Se 0.25394730625362 0.89458932072734 0.39755946822699 78.960 > 49 50 Se 0.75394730625362 0.89458932072734 0.39755946822699 78.960 > 49 51 Se 0.25394730625362 0.89458932072734 0.89755946822699 78.960 > 49 52 Se 0.75394730625362 0.89458932072734 0.89755946822699 78.960 > 49 53 Se 0.24605269374638 0.60541067927266 0.14755946822699 78.960 > 53 54 Se 0.74605269374638 0.60541067927266 0.14755946822699 78.960 > 53 55 Se 0.24605269374638 0.60541067927266 0.64755946822699 78.960 > 53 56 Se 0.74605269374638 0.60541067927266 0.64755946822699 78.960 > 53 57 Se 0.37500000000000 0.50249546299250 0.39755701754361 78.960 > 57 58 Se 0.87500000000000 0.50249546299250 0.39755701754361 78.960 > 57 59 Se 0.37500000000000 0.50249546299250 0.89755701754361 78.960 > 57 60 Se 0.87500000000000 0.50249546299250 0.89755701754361 78.960 > 57 61 Se 0.12500000000000 0.79137556111253 0.14636486219725 78.960 > 61 62 Se 0.62500000000000 0.79137556111253 0.14636486219725 78.960 > 61 63 Se 0.12500000000000 0.79137556111253 0.64636486219725 78.960 > 61 64 Se 0.62500000000000 0.79137556111253 0.64636486219725 78.960 > 61 65 Se 0.37500000000000 0.20862443888747 0.14636486219725 78.960 > 33 66 Se 0.87500000000000 0.20862443888747 0.14636486219725 78.960 > 33 67 Se 0.37500000000000 0.20862443888747 0.64636486219725 78.960 > 33 68 Se 0.87500000000000 0.20862443888747 0.64636486219725 78.960 > 33 69 Se 0.12500000000000 0.49750453700751 0.39755701754361 78.960 > 37 70 Se 0.62500000000000 0.49750453700751 0.39755701754361 78.960 > 37 71 Se 0.12500000000000 0.49750453700751 0.89755701754361 78.960 > 37 72 Se 0.62500000000000 0.49750453700751 0.89755701754361 78.960 > 37 73 Se 0.49605269374638 0.39458932072734 0.14755946822699 78.960 > 41 74 Se 0.99605269374638 0.39458932072734 0.14755946822699 78.960 > 41 75 Se 0.49605269374638 0.39458932072734 0.64755946822699 78.960 > 41 76 Se 0.99605269374638 0.39458932072734 0.64755946822699 78.960 > 41 77 Se 0.00394730625362 0.10541067927266 0.39755946822699 78.960 > 45 78 Se 0.50394730625362 0.10541067927266 0.39755946822699 78.960 > 45 79 Se 0.00394730625362 0.10541067927266 0.89755946822699 78.960 > 45 80 Se 0.50394730625362 0.10541067927266 0.89755946822699 78.960 > 45 81 Se 0.25394730625362 0.39458932072734 0.14755946822699 78.960 > 49 82 Se 0.75394730625362 0.39458932072734 0.14755946822699 78.960 > 49 83 Se 0.25394730625362 0.39458932072734 0.64755946822699 78.960 > 49 84 Se 0.75394730625362 0.39458932072734 0.64755946822699 78.960 > 49 85 Se 0.24605269374638 0.10541067927266 0.39755946822699 78.960 > 53 86 Se 0.74605269374638 0.10541067927266 0.39755946822699 78.960 > 53 87 Se 0.24605269374638 0.10541067927266 0.89755946822699 78.960 > 53 88 Se 0.74605269374638 0.10541067927266 0.89755946822699 78.960 > 53 89 Se 0.37500000000000 0.00249546299250 0.14755701754361 78.960 > 57 90 Se 0.87500000000000 0.00249546299250 0.14755701754361 78.960 > 57 91 Se 0.37500000000000 0.00249546299250 0.64755701754361 78.960 > 57 92 Se 0.87500000000000 0.00249546299250 0.64755701754361 78.960 > 57 93 Se 0.12500000000000 0.29137556111253 0.39636486219725 78.960 > 61 94 Se 0.62500000000000 0.29137556111253 0.39636486219725 78.960 > 61 95 Se 0.12500000000000 0.29137556111253 0.89636486219725 78.960 > 61 96 Se 0.62500000000000 0.29137556111253 0.89636486219725 78.960 > 61 97 Rb 0.37500000000000 0.81639692329005 0.14997698291614 85.468 > 97 98 Rb 0.87500000000000 0.81639692329005 0.14997698291614 85.468 > 97 99 Rb 0.37500000000000 0.81639692329005 0.64997698291614 85.468 > 97 100 Rb 0.87500000000000 0.81639692329005 0.64997698291614 85.468 > 97 101 Rb 0.12500000000000 0.68360307670995 0.39997698291614 85.468 > 101 102 Rb 0.62500000000000 0.68360307670995 0.39997698291614 85.468 > 101 103 Rb 0.12500000000000 0.68360307670995 0.89997698291614 85.468 > 101 104 Rb 0.62500000000000 0.68360307670995 0.89997698291614 85.468 > 101 105 Rb 0.37500000000000 0.31639692329005 0.39997698291614 85.468 > 97 106 Rb 0.87500000000000 0.31639692329005 0.39997698291614 85.468 > 97 107 Rb 0.37500000000000 0.31639692329005 0.89997698291614 85.468 > 97 108 Rb 0.87500000000000 0.31639692329005 0.89997698291614 85.468 > 97 109 Rb 0.12500000000000 0.18360307670995 0.14997698291614 85.468 > 101 110 Rb 0.62500000000000 0.18360307670995 0.14997698291614 85.468 > 101 111 Rb 0.12500000000000 0.18360307670995 0.64997698291614 85.468 > 101 112 Rb 0.62500000000000 0.18360307670995 0.64997698291614 85.468 > 101 113 Ta 0.37500000000000 0.60741939047476 0.02257669786702 180.948 > 113 114 Ta 0.87500000000000 0.60741939047476 0.02257669786702 180.948 > 113 115 Ta 0.37500000000000 0.60741939047476 0.52257669786702 180.948 > 113 116 Ta 0.87500000000000 0.60741939047476 0.52257669786702 180.948 > 113 117 Ta 0.12500000000000 0.89258060952524 0.27257669786702 180.948 > 117 118 Ta 0.62500000000000 0.89258060952524 0.27257669786702 180.948 > 117 119 Ta 0.12500000000000 0.89258060952524 0.77257669786702 180.948 > 117 120 Ta 0.62500000000000 0.89258060952524 0.77257669786702 180.948 > 117 121 Ta 0.37500000000000 0.10741939047476 0.27257669786702 180.948 > 113 122 Ta 0.87500000000000 0.10741939047476 0.27257669786702 180.948 > 113 123 Ta 0.37500000000000 0.10741939047476 0.77257669786702 180.948 > 113 124 Ta 0.87500000000000 0.10741939047476 0.77257669786702 180.948 > 113 125 Ta 0.12500000000000 0.39258060952524 0.02257669786702 180.948 > 117 126 Ta 0.62500000000000 0.39258060952524 0.02257669786702 180.948 > 117 127 Ta 0.12500000000000 0.39258060952524 0.52257669786702 180.948 > 117 128 Ta 0.62500000000000 0.39258060952524 0.52257669786702 180.948 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9528249 0.0000000 0.0000000 0.0000000 5.4992727 0.0000000 0.0000000 0.0000000 6.6394114 -------------------------- Born effective charges -------------------------- 1 Cu 0.2250994 -0.0715309 0.0000000 -0.0412981 0.1424514 -0.0000000 0.0000000 -0.0000000 0.4221563 2 Cu 0.2250994 0.0715309 0.0000000 0.0412981 0.1424514 -0.0000000 0.0000000 -0.0000000 0.4221563 3 Cu 0.3479980 0.0000000 0.0000000 0.0000000 0.3278072 -0.0643820 0.0000000 -0.0298163 0.0870935 4 Cu 0.3479980 0.0000000 0.0000000 0.0000000 0.3278072 0.0643820 0.0000000 0.0298163 0.0870935 5 Se -0.2894618 0.0000000 0.0000000 0.0000000 -1.8178737 0.6128303 0.0000000 1.1937936 -1.5099123 6 Se -0.1921466 0.0000000 0.0000000 0.0000000 -1.0305155 0.5061234 0.0000000 0.6401922 -0.5927868 7 Se -1.4149408 -0.0722201 0.5088782 0.0862594 -0.1986006 0.0921013 0.8975467 0.2497871 -1.0805137 8 Se -1.4149408 -0.0722201 -0.5088782 0.0862594 -0.1986006 -0.0921013 -0.8975467 -0.2497871 -1.0805137 9 Se -1.4149408 0.0722201 -0.5088782 -0.0862594 -0.1986006 0.0921013 -0.8975467 0.2497871 -1.0805137 10 Se -1.4149408 0.0722201 0.5088782 -0.0862594 -0.1986006 -0.0921013 0.8975467 -0.2497871 -1.0805137 11 Se -0.1921466 0.0000000 0.0000000 0.0000000 -1.0305155 -0.5061234 0.0000000 -0.6401922 -0.5927868 12 Se -0.2894618 0.0000000 0.0000000 0.0000000 -1.8178737 -0.6128303 0.0000000 -1.1937936 -1.5099123 13 Rb 1.4817540 0.0000000 0.0000000 0.0000000 1.6783079 -0.0026312 0.0000000 0.0049672 1.3685256 14 Rb 1.4817540 0.0000000 0.0000000 0.0000000 1.6783079 0.0026312 0.0000000 -0.0049672 1.3685256 15 Ta 1.2566387 0.0000000 0.0000000 0.0000000 1.0970238 -0.5101741 0.0000000 -0.6730995 2.3859511 16 Ta 1.2566387 0.0000000 0.0000000 0.0000000 1.0970238 0.5101741 0.0000000 0.6730995 2.3859511 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) 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 ... [ 7 9 9 ] 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: 0.56, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 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 0.951 ( 0.000 0.000 0.000) 0.000 1.082 ( 0.000 0.000 -0.000) 0.000 1.249 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 -0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.781 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 -0.000) 0.000 2.455 ( 0.000 0.000 -0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 3.276 ( 0.000 0.000 -0.000) 0.000 3.478 ( 0.000 0.000 -0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 -0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 -0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.415 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 -0.000) 0.000 5.565 ( 0.000 0.000 -0.000) 0.000 5.676 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.899 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 8.345 ( 0.000 0.000 -0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.159 ( 10.195 0.000 0.000) 10.195 0.248 ( 13.597 0.000 0.000) 13.597 0.479 ( 22.628 0.000 0.000) 22.628 1.021 ( 6.112 0.000 0.000) 6.112 1.135 ( 4.741 0.000 0.000) 4.741 1.333 ( -3.388 0.000 0.000) 3.388 1.454 ( 0.643 0.000 0.000) 0.643 1.569 ( -1.867 0.000 0.000) 1.867 1.584 ( -1.237 0.000 0.000) 1.237 1.768 ( -0.584 0.000 0.000) 0.584 1.781 ( 0.008 0.000 0.000) 0.008 1.854 ( -0.158 0.000 0.000) 0.158 1.935 ( 1.198 0.000 0.000) 1.198 2.054 ( -2.757 0.000 0.000) 2.757 2.160 ( 2.179 0.000 0.000) 2.179 2.223 ( -1.037 0.000 0.000) 1.037 2.327 ( 1.168 0.000 0.000) 1.168 2.403 ( -2.271 0.000 0.000) 2.271 2.567 ( 5.666 0.000 0.000) 5.666 2.849 ( 0.235 0.000 0.000) 0.235 3.287 ( 1.107 0.000 0.000) 1.107 3.466 ( -1.198 0.000 0.000) 1.198 3.681 ( 3.755 0.000 0.000) 3.755 4.028 ( -0.089 0.000 0.000) 0.089 4.151 ( -2.601 0.000 0.000) 2.601 4.243 ( -3.509 0.000 0.000) 3.509 4.421 ( 3.269 0.000 0.000) 3.269 4.613 ( -0.773 0.000 0.000) 0.773 4.672 ( -0.402 0.000 0.000) 0.402 4.822 ( -2.145 0.000 0.000) 2.145 5.063 ( 1.327 0.000 0.000) 1.327 5.215 ( -0.657 0.000 0.000) 0.657 5.412 ( -0.326 0.000 0.000) 0.326 5.440 ( -0.524 0.000 0.000) 0.524 5.576 ( 0.955 0.000 0.000) 0.955 5.671 ( -0.537 0.000 0.000) 0.537 5.797 ( 0.947 0.000 0.000) 0.947 5.900 ( 0.063 0.000 0.000) 0.063 5.918 ( -0.715 0.000 0.000) 0.715 5.968 ( -0.669 0.000 0.000) 0.669 7.479 ( 0.394 0.000 0.000) 0.394 7.612 ( -1.208 0.000 0.000) 1.208 8.333 ( -1.077 0.000 0.000) 1.077 8.338 ( -1.033 0.000 0.000) 1.033 8.393 ( 1.312 0.000 0.000) 1.312 8.579 ( -1.753 0.000 0.000) 1.753 8.627 ( 0.674 0.000 0.000) 0.674 8.663 ( -0.372 0.000 0.000) 0.372 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 12.207 0.000 0.000) 12.207 0.500 ( 13.057 0.000 0.000) 13.057 0.776 ( 8.082 0.000 0.000) 8.082 1.173 ( -4.492 0.000 0.000) 4.492 1.207 ( 13.319 0.000 0.000) 13.319 1.298 ( 2.944 0.000 0.000) 2.944 1.467 ( 0.522 0.000 0.000) 0.522 1.523 ( -2.879 0.000 0.000) 2.879 1.561 ( -0.550 0.000 0.000) 0.550 1.754 ( -0.949 0.000 0.000) 0.949 1.784 ( 0.305 0.000 0.000) 0.305 1.862 ( 0.753 0.000 0.000) 0.753 1.939 ( -1.033 0.000 0.000) 1.033 2.005 ( -2.470 0.000 0.000) 2.470 2.186 ( 0.418 0.000 0.000) 0.418 2.198 ( -1.495 0.000 0.000) 1.495 2.356 ( 1.847 0.000 0.000) 1.847 2.383 ( 0.060 0.000 0.000) 0.060 2.675 ( 5.608 0.000 0.000) 5.608 2.850 ( -0.350 0.000 0.000) 0.350 3.315 ( 1.917 0.000 0.000) 1.917 3.437 ( -1.867 0.000 0.000) 1.867 3.775 ( 6.126 0.000 0.000) 6.126 4.029 ( 0.211 0.000 0.000) 0.211 4.088 ( -3.871 0.000 0.000) 3.871 4.170 ( -4.260 0.000 0.000) 4.260 4.481 ( 2.953 0.000 0.000) 2.953 4.593 ( -1.314 0.000 0.000) 1.314 4.667 ( 0.026 0.000 0.000) 0.026 4.772 ( -2.968 0.000 0.000) 2.968 5.094 ( 1.862 0.000 0.000) 1.862 5.196 ( -1.319 0.000 0.000) 1.319 5.406 ( -0.224 0.000 0.000) 0.224 5.427 ( -0.767 0.000 0.000) 0.767 5.599 ( 1.349 0.000 0.000) 1.349 5.658 ( -0.760 0.000 0.000) 0.760 5.820 ( 1.446 0.000 0.000) 1.446 5.900 ( -1.165 0.000 0.000) 1.165 5.902 ( 0.253 0.000 0.000) 0.253 5.950 ( -1.130 0.000 0.000) 1.130 7.491 ( 0.896 0.000 0.000) 0.896 7.582 ( -1.890 0.000 0.000) 1.890 8.311 ( -1.111 0.000 0.000) 1.111 8.315 ( -1.264 0.000 0.000) 1.264 8.422 ( 1.801 0.000 0.000) 1.801 8.541 ( -2.172 0.000 0.000) 2.172 8.636 ( 0.369 0.000 0.000) 0.369 8.655 ( -0.469 0.000 0.000) 0.469 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 10.032 0.000 0.000) 10.032 0.688 ( 3.059 0.000 0.000) 3.059 0.850 ( 5.002 0.000 0.000) 5.002 1.020 ( -10.081 0.000 0.000) 10.081 1.383 ( 4.623 0.000 0.000) 4.623 1.416 ( 5.776 0.000 0.000) 5.776 1.464 ( -3.188 0.000 0.000) 3.188 1.468 ( -0.580 0.000 0.000) 0.580 1.607 ( 6.499 0.000 0.000) 6.499 1.721 ( -3.467 0.000 0.000) 3.467 1.797 ( 1.406 0.000 0.000) 1.406 1.847 ( -3.260 0.000 0.000) 3.260 1.925 ( 1.035 0.000 0.000) 1.035 1.961 ( -2.284 0.000 0.000) 2.284 2.178 ( -0.421 0.000 0.000) 0.421 2.182 ( -0.567 0.000 0.000) 0.567 2.386 ( 1.067 0.000 0.000) 1.067 2.392 ( 0.394 0.000 0.000) 0.394 2.769 ( 4.230 0.000 0.000) 4.230 2.828 ( -2.094 0.000 0.000) 2.094 3.355 ( 2.283 0.000 0.000) 2.283 3.398 ( -2.236 0.000 0.000) 2.236 3.898 ( 6.632 0.000 0.000) 6.632 4.009 ( -4.924 0.000 0.000) 4.924 4.042 ( 1.420 0.000 0.000) 1.420 4.090 ( -3.804 0.000 0.000) 3.804 4.529 ( 2.231 0.000 0.000) 2.231 4.565 ( -1.675 0.000 0.000) 1.675 4.679 ( 1.369 0.000 0.000) 1.369 4.718 ( -2.630 0.000 0.000) 2.630 5.130 ( 1.983 0.000 0.000) 1.983 5.166 ( -1.809 0.000 0.000) 1.809 5.406 ( 0.218 0.000 0.000) 0.218 5.414 ( -0.636 0.000 0.000) 0.636 5.623 ( 1.204 0.000 0.000) 1.204 5.643 ( -0.920 0.000 0.000) 0.920 5.849 ( 1.519 0.000 0.000) 1.519 5.876 ( -1.376 0.000 0.000) 1.376 5.911 ( 0.685 0.000 0.000) 0.685 5.928 ( -1.133 0.000 0.000) 1.133 7.513 ( 1.472 0.000 0.000) 1.472 7.545 ( -1.908 0.000 0.000) 1.908 8.295 ( -0.458 0.000 0.000) 0.458 8.296 ( -0.576 0.000 0.000) 0.576 8.459 ( 2.084 0.000 0.000) 2.084 8.500 ( -2.243 0.000 0.000) 2.243 8.642 ( 0.258 0.000 0.000) 0.258 8.647 ( -0.346 0.000 0.000) 0.346 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 0.000 1.009 13.693) 13.730 0.287 ( 0.000 4.669 13.597) 14.376 0.710 ( 0.000 3.413 33.976) 34.147 0.969 ( 0.000 -2.523 2.554) 3.590 1.093 ( 0.000 1.154 0.771) 1.388 1.246 ( 0.000 0.179 -0.357) 0.399 1.431 ( 0.000 0.036 -1.991) 1.992 1.447 ( 0.000 -1.108 7.033) 7.120 1.578 ( 0.000 1.343 -1.738) 2.197 1.764 ( 0.000 -5.476 -2.775) 6.139 1.806 ( 0.000 1.647 -1.181) 2.027 1.877 ( 0.000 0.382 -3.532) 3.553 1.892 ( 0.000 7.002 -1.062) 7.082 2.053 ( 0.000 -0.145 -3.860) 3.863 2.184 ( 0.000 -1.632 3.469) 3.833 2.236 ( 0.000 -0.041 0.373) 0.375 2.304 ( 0.000 1.552 -1.652) 2.267 2.461 ( 0.000 0.005 0.427) 0.427 2.489 ( 0.000 -1.691 -2.383) 2.923 2.864 ( 0.000 0.002 1.605) 1.605 3.298 ( 0.000 0.741 1.742) 1.893 3.508 ( 0.000 -0.263 2.515) 2.528 3.639 ( 0.000 -0.010 0.782) 0.782 4.017 ( 0.000 0.006 -1.657) 1.657 4.037 ( 0.000 0.139 -9.761) 9.762 4.364 ( 0.000 0.035 3.721) 3.721 4.389 ( 0.000 0.024 1.012) 1.012 4.591 ( 0.000 -0.021 -2.691) 2.691 4.713 ( 0.000 0.051 3.475) 3.476 4.844 ( 0.000 -0.021 0.100) 0.102 5.081 ( 0.000 -0.022 2.584) 2.584 5.240 ( 0.000 0.114 1.867) 1.871 5.412 ( 0.000 0.001 -0.273) 0.273 5.483 ( 0.000 -0.535 1.522) 1.613 5.571 ( 0.000 0.018 0.626) 0.626 5.680 ( 0.000 -0.003 0.410) 0.410 5.764 ( 0.000 0.161 -2.188) 2.194 5.922 ( 0.000 -0.051 1.927) 1.928 5.940 ( 0.000 -0.402 -0.431) 0.589 5.955 ( 0.000 0.010 -0.421) 0.421 7.488 ( 0.000 -0.103 1.269) 1.273 7.635 ( 0.000 0.186 1.015) 1.032 8.342 ( 0.000 0.364 -0.479) 0.601 8.386 ( 0.000 0.269 0.639) 0.694 8.392 ( 0.000 -0.196 -0.033) 0.198 8.483 ( 0.000 -0.205 -0.416) 0.464 8.667 ( 0.000 -0.726 0.430) 0.844 8.777 ( 0.000 -1.394 -1.154) 1.809 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 4.732 3.799 11.846) 13.309 0.491 ( 12.995 0.761 9.712) 16.241 0.776 ( 7.683 1.536 27.092) 28.202 1.042 ( 7.395 -1.563 3.476) 8.319 1.147 ( 5.035 1.253 0.794) 5.249 1.362 ( 6.105 -3.462 -5.122) 8.688 1.405 ( -1.651 0.625 1.143) 2.103 1.457 ( 0.695 -0.363 2.590) 2.706 1.570 ( -0.806 0.958 -1.472) 1.933 1.743 ( -1.747 -3.875 -3.006) 5.206 1.784 ( -1.317 2.911 -2.169) 3.862 1.867 ( -1.662 3.658 -0.247) 4.026 1.918 ( 2.691 0.392 -1.144) 2.950 2.025 ( -2.587 0.248 -2.395) 3.534 2.203 ( 1.818 -1.335 2.868) 3.649 2.227 ( -0.887 0.194 0.150) 0.921 2.312 ( 0.890 0.667 -1.351) 1.750 2.390 ( -3.693 -0.482 -1.521) 4.023 2.572 ( 5.462 -0.567 -0.238) 5.497 2.864 ( -0.046 0.009 1.345) 1.346 3.308 ( 1.106 0.420 1.891) 2.230 3.495 ( -1.299 -0.197 2.540) 2.860 3.681 ( 3.932 -0.110 0.366) 3.951 4.014 ( -0.224 -0.048 -1.794) 1.809 4.023 ( -1.407 0.137 -8.879) 8.990 4.308 ( -3.995 -0.020 3.327) 5.199 4.428 ( 2.216 0.055 0.529) 2.279 4.581 ( -1.031 -0.018 -2.839) 3.020 4.712 ( 0.001 0.051 3.735) 3.735 4.832 ( -1.263 -0.006 0.807) 1.499 5.089 ( 0.850 0.018 2.290) 2.443 5.232 ( -0.802 0.049 1.726) 1.904 5.411 ( -0.126 0.011 -0.059) 0.140 5.467 ( -1.202 -0.173 1.970) 2.314 5.582 ( 0.994 0.007 0.602) 1.162 5.675 ( -0.527 -0.004 0.410) 0.668 5.772 ( 0.880 0.081 -2.171) 2.344 5.921 ( -1.183 -0.241 0.049) 1.209 5.923 ( -0.244 0.057 1.428) 1.449 5.959 ( 0.055 -0.039 -0.250) 0.259 7.492 ( 0.367 -0.098 1.239) 1.296 7.623 ( -1.211 0.149 1.039) 1.602 8.331 ( -0.997 0.279 -0.319) 1.083 8.358 ( -2.219 -0.033 0.851) 2.377 8.399 ( 1.195 0.344 0.457) 1.325 8.515 ( 1.724 -0.494 -1.869) 2.591 8.661 ( -0.541 -0.980 0.499) 1.226 8.713 ( -4.230 0.445 1.596) 4.543 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 9.240 1.949 7.926) 12.328 0.672 ( 7.235 0.580 9.899) 12.274 0.922 ( 5.618 -0.282 14.937) 15.961 1.227 ( 4.734 -1.791 3.640) 6.234 1.255 ( 10.077 1.893 4.417) 11.164 1.330 ( -2.115 0.107 3.466) 4.062 1.453 ( 1.755 -0.826 -4.269) 4.689 1.469 ( 0.662 -0.188 1.145) 1.336 1.556 ( -0.080 0.116 -0.723) 0.736 1.719 ( -0.521 -4.229 -2.909) 5.160 1.775 ( 0.365 4.978 -2.095) 5.413 1.837 ( -1.403 1.138 -1.977) 2.678 1.946 ( -0.710 -2.397 0.314) 2.520 1.980 ( -1.506 2.854 -0.089) 3.228 2.197 ( -1.620 -0.804 -0.227) 1.823 2.233 ( 0.151 0.211 2.399) 2.413 2.336 ( 1.497 -0.213 -1.409) 2.067 2.349 ( -0.366 -0.371 -2.980) 3.025 2.677 ( 5.516 -0.296 -0.005) 5.524 2.859 ( -0.691 0.001 0.782) 1.044 3.338 ( 1.968 0.117 2.030) 2.830 3.464 ( -1.953 -0.154 2.441) 3.130 3.772 ( 5.575 -0.083 -0.286) 5.582 3.988 ( -2.216 0.024 -7.593) 7.909 4.016 ( 0.486 0.029 -1.210) 1.305 4.223 ( -5.076 -0.046 2.998) 5.896 4.464 ( 1.660 0.064 -1.208) 2.054 4.555 ( -1.632 0.002 -3.105) 3.508 4.716 ( 0.511 0.050 4.208) 4.239 4.801 ( -1.933 0.023 2.262) 2.975 5.112 ( 1.506 0.019 1.661) 2.242 5.211 ( -1.479 -0.001 1.399) 2.036 5.410 ( 0.060 0.019 0.439) 0.443 5.446 ( -1.091 -0.021 1.702) 2.022 5.605 ( 1.335 0.011 0.590) 1.460 5.663 ( -0.731 -0.005 0.448) 0.857 5.794 ( 1.377 0.022 -2.206) 2.600 5.889 ( -1.844 -0.048 -1.183) 2.191 5.926 ( 0.261 -0.019 1.894) 1.912 5.955 ( -0.437 -0.006 0.555) 0.706 7.503 ( 0.865 -0.072 1.176) 1.462 7.593 ( -1.890 0.105 1.062) 2.170 8.310 ( -1.049 0.142 -0.148) 1.068 8.322 ( -1.642 0.021 0.466) 1.707 8.426 ( 1.697 0.249 0.302) 1.742 8.525 ( -0.691 -0.376 -1.102) 1.354 8.647 ( -0.789 -1.252 0.732) 1.652 8.662 ( -1.346 1.083 0.293) 1.752 ======================= Grid point 10 (8/100) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 8.558 0.534 5.086) 9.969 0.742 ( -1.155 -0.124 4.903) 5.038 1.013 ( 5.894 0.373 13.310) 14.562 1.149 ( -7.595 0.122 10.226) 12.739 1.368 ( 3.485 -0.848 -1.114) 3.756 1.405 ( 1.287 0.442 -1.644) 2.134 1.461 ( 0.198 -1.032 0.914) 1.393 1.483 ( 0.333 2.198 1.655) 2.772 1.621 ( 7.125 -0.452 1.884) 7.384 1.711 ( -1.429 -3.674 -0.376) 3.960 1.789 ( 0.827 3.292 -2.103) 3.993 1.817 ( -0.732 1.357 -4.815) 5.056 1.913 ( -1.432 -1.901 0.286) 2.397 1.945 ( -2.521 2.314 2.340) 4.146 2.180 ( -0.011 -1.639 -0.473) 1.706 2.216 ( -1.240 1.705 0.690) 2.218 2.357 ( 0.707 -1.114 -2.417) 2.753 2.363 ( 0.808 -0.013 -1.757) 1.934 2.770 ( 4.274 -0.162 0.059) 4.278 2.832 ( -2.303 -0.052 0.298) 2.323 3.379 ( 2.352 -0.035 2.154) 3.190 3.423 ( -2.322 -0.111 2.294) 3.266 3.874 ( 4.755 -0.041 -2.404) 5.328 3.942 ( -2.750 0.056 -5.399) 6.059 4.043 ( 2.819 -0.011 0.138) 2.822 4.123 ( -5.307 -0.035 2.099) 5.707 4.493 ( 1.544 0.052 -2.544) 2.976 4.524 ( -1.700 0.036 -3.117) 3.551 4.733 ( 1.322 0.045 4.248) 4.449 4.764 ( -1.905 0.044 3.554) 4.033 5.144 ( 1.845 -0.003 1.250) 2.228 5.179 ( -1.854 -0.007 1.182) 2.198 5.415 ( 0.471 0.015 0.942) 1.053 5.427 ( -0.864 0.011 1.342) 1.596 5.629 ( 1.180 0.006 0.551) 1.302 5.648 ( -0.891 -0.001 0.504) 1.023 5.822 ( 1.631 0.001 -2.150) 2.699 5.855 ( -1.820 -0.014 -1.819) 2.573 5.933 ( 0.510 -0.006 1.722) 1.796 5.944 ( -0.641 0.004 1.277) 1.429 7.524 ( 1.456 -0.020 1.119) 1.836 7.556 ( -1.905 0.048 1.084) 2.193 8.296 ( -0.388 0.035 -0.000) 0.389 8.299 ( -0.706 0.056 0.172) 0.729 8.461 ( 1.948 0.103 0.126) 1.955 8.498 ( -1.902 -0.074 -0.182) 1.912 8.641 ( 0.048 -0.493 0.023) 0.496 8.646 ( -0.503 0.110 -0.144) 0.534 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.000 0.639 12.033) 12.050 0.583 ( 0.000 1.109 14.395) 14.438 1.018 ( 0.000 -3.116 4.010) 5.078 1.122 ( 0.000 1.524 1.066) 1.859 1.236 ( 0.000 -0.060 -0.737) 0.739 1.335 ( 0.000 1.721 23.398) 23.461 1.353 ( 0.000 0.167 -5.983) 5.985 1.511 ( 0.000 -0.681 -0.763) 1.023 1.569 ( 0.000 2.381 2.436) 3.407 1.685 ( 0.000 1.407 -1.989) 2.437 1.792 ( 0.000 1.452 -0.619) 1.579 1.812 ( 0.000 0.531 -2.771) 2.822 1.954 ( 0.000 -0.153 -5.785) 5.787 2.001 ( 0.000 1.536 7.839) 7.988 2.217 ( 0.000 -3.030 1.463) 3.365 2.253 ( 0.000 -0.022 1.456) 1.456 2.280 ( 0.000 -0.182 -0.566) 0.595 2.431 ( 0.000 -1.341 -1.952) 2.368 2.465 ( 0.000 0.044 -0.150) 0.156 2.896 ( 0.000 -0.047 1.359) 1.360 3.341 ( 0.000 0.559 1.678) 1.769 3.553 ( 0.000 -0.267 1.388) 1.413 3.660 ( 0.000 -0.042 1.269) 1.270 3.830 ( 0.000 -0.204 -10.440) 10.442 3.984 ( 0.000 0.457 -1.884) 1.938 4.407 ( 0.000 -0.138 0.858) 0.869 4.415 ( 0.000 0.046 1.545) 1.545 4.529 ( 0.000 -0.099 -3.300) 3.301 4.801 ( 0.000 0.254 4.918) 4.925 4.847 ( 0.000 -0.032 0.142) 0.145 5.140 ( 0.000 -0.079 3.059) 3.060 5.292 ( 0.000 0.150 3.271) 3.274 5.405 ( 0.000 0.002 -0.435) 0.435 5.522 ( 0.000 -0.191 2.548) 2.555 5.589 ( 0.000 0.024 1.058) 1.059 5.691 ( 0.000 -0.000 0.644) 0.644 5.714 ( 0.000 0.108 -2.868) 2.870 5.923 ( 0.000 -0.208 -1.079) 1.099 5.944 ( 0.000 0.020 -0.758) 0.758 5.963 ( 0.000 -0.066 2.085) 2.086 7.522 ( 0.000 -0.255 2.110) 2.126 7.663 ( 0.000 0.210 1.587) 1.600 8.332 ( 0.000 0.451 -0.646) 0.788 8.388 ( 0.000 -0.328 -0.205) 0.387 8.404 ( 0.000 0.397 0.985) 1.062 8.471 ( 0.000 -0.304 -0.637) 0.706 8.671 ( 0.000 -0.103 0.215) 0.238 8.737 ( 0.000 -0.865 -2.060) 2.234 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 2.150 1.001 13.544) 13.750 0.673 ( 10.189 0.253 8.951) 13.565 1.068 ( 4.694 -2.181 4.756) 7.029 1.168 ( 4.461 1.072 1.106) 4.719 1.281 ( 3.960 -0.987 -2.086) 4.583 1.346 ( -0.249 0.418 -3.793) 3.825 1.365 ( 3.221 1.450 16.854) 17.220 1.515 ( 0.447 -0.851 0.139) 0.971 1.566 ( -0.364 1.832 3.631) 4.083 1.675 ( -0.815 2.003 -1.611) 2.696 1.762 ( -1.513 1.881 -0.459) 2.457 1.853 ( 2.158 0.066 -2.347) 3.189 1.962 ( 0.399 0.104 -2.773) 2.803 1.990 ( -0.582 1.471 6.484) 6.674 2.216 ( -0.195 -2.750 -0.028) 2.757 2.244 ( -0.580 -0.358 1.563) 1.705 2.291 ( 0.863 -0.511 -0.177) 1.018 2.354 ( -4.136 -0.321 -1.199) 4.318 2.556 ( 5.906 -0.482 -0.786) 5.977 2.891 ( -0.588 -0.004 1.088) 1.237 3.351 ( 1.100 0.411 1.660) 2.033 3.541 ( -1.269 -0.225 1.452) 1.941 3.692 ( 3.158 -0.086 0.749) 3.247 3.828 ( -0.188 -0.157 -9.906) 9.909 3.982 ( -0.120 0.367 -1.787) 1.828 4.356 ( -3.805 -0.141 1.612) 4.135 4.438 ( 0.816 0.072 0.443) 0.931 4.518 ( -1.050 -0.063 -3.202) 3.370 4.802 ( 0.176 0.231 4.876) 4.885 4.846 ( -0.068 -0.019 0.606) 0.610 5.142 ( 0.282 -0.074 2.825) 2.840 5.278 ( -1.427 0.099 2.648) 3.009 5.412 ( 0.653 0.028 0.290) 0.715 5.512 ( -1.007 -0.121 2.626) 2.815 5.599 ( 0.965 0.019 1.040) 1.419 5.685 ( -0.529 -0.005 0.477) 0.712 5.723 ( 0.895 0.081 -2.680) 2.826 5.897 ( -2.050 -0.151 -1.647) 2.634 5.957 ( 0.798 0.007 -0.098) 0.804 5.963 ( 0.037 -0.055 2.032) 2.033 7.524 ( 0.296 -0.234 2.063) 2.097 7.651 ( -1.171 0.210 1.624) 2.013 8.324 ( -0.808 0.373 -0.510) 1.026 8.365 ( -1.983 -0.180 0.012) 1.991 8.414 ( 0.943 0.380 0.817) 1.305 8.487 ( 1.227 -0.454 -0.942) 1.612 8.665 ( -0.636 -0.218 0.176) 0.695 8.710 ( -2.485 -0.445 -1.185) 2.789 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 5.370 0.902 11.156) 12.414 0.824 ( 5.127 -0.095 6.415) 8.213 1.153 ( 3.412 -0.640 5.513) 6.515 1.261 ( 4.736 0.002 0.276) 4.744 1.311 ( -1.297 -0.505 -4.244) 4.467 1.367 ( 2.442 1.563 -0.968) 3.056 1.467 ( 5.064 -1.132 3.864) 6.470 1.533 ( 1.116 -1.877 1.832) 2.851 1.580 ( 4.376 1.514 10.027) 11.044 1.664 ( -0.016 2.445 0.434) 2.483 1.742 ( -0.621 2.744 -1.248) 3.078 1.866 ( -0.612 -0.065 2.078) 2.167 1.954 ( -1.130 -0.122 2.291) 2.557 2.003 ( 1.602 1.938 0.690) 2.607 2.190 ( -2.765 -1.903 0.790) 3.448 2.235 ( -1.592 -0.685 -1.661) 2.401 2.290 ( 0.061 -1.782 -0.343) 1.816 2.325 ( 0.934 0.392 -0.455) 1.110 2.667 ( 5.755 -0.340 -0.697) 5.807 2.873 ( -1.392 0.052 0.472) 1.470 3.380 ( 1.918 0.159 1.527) 2.457 3.509 ( -2.064 -0.153 1.409) 2.504 3.761 ( 3.662 -0.086 -0.772) 3.743 3.824 ( -0.140 -0.035 -8.391) 8.392 3.989 ( 1.380 0.137 -1.213) 1.843 4.268 ( -5.469 -0.176 1.628) 5.709 4.447 ( 0.280 0.147 -0.496) 0.589 4.494 ( -1.432 0.034 -2.856) 3.195 4.808 ( 0.430 0.172 4.635) 4.658 4.842 ( -0.389 0.018 1.757) 1.800 5.152 ( 0.838 -0.067 2.258) 2.409 5.245 ( -2.000 0.025 1.831) 2.711 5.427 ( 0.865 0.047 1.367) 1.619 5.489 ( -1.295 -0.031 2.640) 2.941 5.620 ( 1.274 0.013 0.970) 1.601 5.674 ( -0.628 -0.012 0.602) 0.870 5.744 ( 1.347 0.037 -2.735) 3.049 5.855 ( -2.395 -0.091 -2.158) 3.226 5.965 ( 0.109 -0.038 1.879) 1.882 5.968 ( 0.305 0.034 0.614) 0.686 7.534 ( 0.789 -0.162 1.955) 2.115 7.622 ( -1.856 0.184 1.701) 2.524 8.307 ( -0.902 0.215 -0.307) 0.977 8.327 ( -1.844 -0.055 0.062) 1.846 8.436 ( 1.403 0.289 0.528) 1.527 8.502 ( 0.169 -0.445 -0.903) 1.021 8.650 ( -0.900 -0.530 0.111) 1.051 8.664 ( -1.925 0.069 -0.427) 1.973 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 5.736 0.466 8.154) 9.980 0.858 ( -1.501 0.134 6.230) 6.410 1.200 ( 2.208 -0.078 2.771) 3.544 1.263 ( -2.721 0.976 -0.754) 2.987 1.341 ( 2.994 -0.919 -0.876) 3.252 1.389 ( -0.316 0.865 -1.494) 1.755 1.503 ( 0.460 -0.855 4.875) 4.971 1.548 ( 0.648 -0.286 0.895) 1.142 1.650 ( 0.414 -0.574 1.283) 1.465 1.718 ( 1.001 0.244 1.008) 1.441 1.767 ( 6.483 3.100 6.359) 9.595 1.850 ( -1.407 2.385 5.991) 6.599 1.938 ( 0.284 -1.281 2.144) 2.514 2.012 ( -1.629 2.320 0.830) 2.954 2.136 ( -1.711 -2.861 -0.915) 3.457 2.194 ( -1.707 1.078 -1.684) 2.629 2.307 ( 0.783 -2.601 -1.063) 2.917 2.344 ( 0.735 0.172 -0.661) 1.004 2.765 ( 4.558 -0.149 -0.487) 4.586 2.835 ( -2.805 0.030 -0.115) 2.807 3.421 ( 2.360 0.001 1.351) 2.719 3.466 ( -2.430 -0.081 1.316) 2.764 3.808 ( 1.139 -0.220 -3.956) 4.123 3.823 ( 0.066 0.262 -5.940) 5.946 4.047 ( 4.853 -0.092 0.306) 4.863 4.156 ( -6.277 -0.164 1.257) 6.404 4.453 ( 0.473 0.110 -1.458) 1.536 4.469 ( -1.062 0.184 -2.190) 2.441 4.818 ( 0.644 0.078 4.011) 4.063 4.832 ( -0.657 0.097 3.068) 3.139 5.174 ( 1.489 -0.064 1.716) 2.273 5.207 ( -1.942 -0.015 1.522) 2.467 5.444 ( 1.016 0.031 2.076) 2.311 5.465 ( -1.212 0.025 2.464) 2.746 5.643 ( 1.105 0.001 0.880) 1.413 5.661 ( -0.794 -0.008 0.770) 1.106 5.773 ( 1.776 -0.001 -2.736) 3.262 5.811 ( -2.212 -0.037 -2.533) 3.364 5.967 ( 0.166 -0.004 1.619) 1.627 5.970 ( -0.061 0.028 1.192) 1.194 7.555 ( 1.418 -0.040 1.853) 2.333 7.586 ( -1.886 0.094 1.775) 2.592 8.295 ( -0.263 0.057 -0.141) 0.304 8.301 ( -0.861 0.036 -0.036) 0.863 8.464 ( 1.510 0.070 0.165) 1.521 8.492 ( -1.132 -0.094 -0.317) 1.179 8.637 ( -0.231 -0.479 -0.119) 0.545 8.642 ( -0.669 -0.165 -0.321) 0.760 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 0.251 9.086) 9.089 0.847 ( 0.000 -2.424 12.193) 12.432 1.078 ( 0.000 -1.560 2.065) 2.588 1.126 ( 0.000 -0.004 -1.775) 1.775 1.209 ( 0.000 -0.654 -1.211) 1.376 1.249 ( 0.000 1.286 -3.008) 3.271 1.364 ( 0.000 2.512 -5.565) 6.105 1.529 ( 0.000 0.605 -1.798) 1.897 1.678 ( 0.000 2.591 -0.226) 2.601 1.778 ( 0.000 0.195 -1.146) 1.162 1.790 ( 0.000 0.916 2.518) 2.679 1.839 ( 0.000 0.027 -5.413) 5.413 1.886 ( 0.000 3.033 11.449) 11.844 2.074 ( 0.000 -2.972 -0.423) 3.002 2.260 ( 0.000 0.214 5.621) 5.625 2.290 ( 0.000 0.035 2.055) 2.055 2.368 ( 0.000 -1.776 9.633) 9.795 2.414 ( 0.000 -0.529 2.208) 2.271 2.456 ( 0.000 0.071 -0.706) 0.710 2.912 ( 0.000 -0.090 0.359) 0.371 3.337 ( 0.000 -0.023 -3.346) 3.346 3.530 ( 0.000 -0.100 -3.896) 3.897 3.656 ( 0.000 0.041 -5.987) 5.987 3.685 ( 0.000 -0.062 1.179) 1.181 3.966 ( 0.000 0.299 0.047) 0.303 4.408 ( 0.000 -0.213 -0.356) 0.414 4.445 ( 0.000 0.049 1.352) 1.352 4.470 ( 0.000 -0.114 -2.437) 2.440 4.849 ( 0.000 -0.026 0.113) 0.117 4.893 ( 0.000 0.354 3.915) 3.931 5.192 ( 0.000 -0.146 2.187) 2.192 5.364 ( 0.000 0.127 3.661) 3.663 5.397 ( 0.000 0.002 -0.398) 0.398 5.576 ( 0.000 0.002 2.765) 2.765 5.611 ( 0.000 0.016 1.067) 1.067 5.655 ( 0.000 0.052 -3.046) 3.046 5.704 ( 0.000 0.004 0.580) 0.580 5.896 ( 0.000 -0.148 -1.459) 1.466 5.927 ( 0.000 0.024 -0.815) 0.815 5.999 ( 0.000 -0.055 1.490) 1.491 7.563 ( 0.000 -0.336 2.062) 2.089 7.695 ( 0.000 0.170 1.416) 1.426 8.324 ( 0.000 0.416 -0.466) 0.625 8.379 ( 0.000 -0.274 -0.524) 0.591 8.426 ( 0.000 0.310 0.887) 0.940 8.457 ( 0.000 -0.231 -0.576) 0.621 8.672 ( 0.000 -0.129 -0.089) 0.157 8.695 ( 0.000 -0.344 -1.629) 1.665 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 4.245 -1.002 7.820) 8.955 0.853 ( 2.171 -1.034 9.822) 10.112 1.128 ( 4.189 -1.027 -0.125) 4.315 1.161 ( 3.101 0.011 -0.798) 3.202 1.230 ( 1.575 -0.469 -1.657) 2.334 1.279 ( 4.194 0.430 -0.286) 4.226 1.371 ( 1.214 2.199 -4.523) 5.173 1.531 ( 0.248 0.358 -1.778) 1.831 1.669 ( -0.879 2.889 -0.187) 3.025 1.763 ( -0.660 0.639 1.080) 1.418 1.801 ( 0.260 1.533 0.799) 1.748 1.823 ( 0.227 1.829 -1.316) 2.265 1.947 ( 3.884 -0.406 4.554) 5.999 2.082 ( 0.921 -2.027 1.282) 2.569 2.235 ( -2.088 -0.810 4.707) 5.213 2.291 ( -0.272 0.509 3.278) 3.328 2.339 ( -2.831 -1.135 2.683) 4.062 2.378 ( -0.709 -0.640 8.672) 8.724 2.540 ( 5.791 -0.152 -0.546) 5.819 2.903 ( -1.001 -0.041 0.185) 1.018 3.343 ( 0.674 -0.056 -3.655) 3.717 3.517 ( -1.338 -0.049 -4.037) 4.253 3.665 ( 0.982 0.031 -5.398) 5.486 3.710 ( 2.409 -0.097 1.045) 2.628 3.964 ( -0.073 0.227 -0.032) 0.240 4.371 ( -3.473 -0.244 0.152) 3.485 4.450 ( 0.026 0.076 0.620) 0.625 4.464 ( -0.591 -0.016 -2.094) 2.176 4.855 ( 0.581 -0.027 0.316) 0.662 4.892 ( -0.069 0.328 3.772) 3.787 5.191 ( -0.054 -0.142 2.081) 2.087 5.325 ( -2.719 0.052 1.692) 3.203 5.430 ( 2.172 0.061 1.725) 2.775 5.566 ( -0.893 0.007 2.809) 2.947 5.620 ( 0.902 0.017 1.058) 1.390 5.660 ( 0.495 0.030 -2.954) 2.996 5.702 ( -0.142 0.008 0.438) 0.460 5.861 ( -2.671 -0.106 -1.889) 3.273 5.952 ( 1.551 0.006 -0.367) 1.594 5.998 ( -0.064 -0.046 1.444) 1.446 7.564 ( 0.224 -0.297 2.021) 2.055 7.684 ( -1.079 0.184 1.467) 1.830 8.317 ( -0.679 0.357 -0.401) 0.866 8.359 ( -1.767 -0.194 -0.416) 1.825 8.432 ( 0.673 0.301 0.786) 1.078 8.469 ( 0.996 -0.333 -0.681) 1.252 8.664 ( -0.787 -0.203 -0.156) 0.828 8.680 ( -1.375 -0.225 -1.220) 1.851 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 2.007 -1.379 6.455) 6.899 0.927 ( 2.925 -0.158 3.952) 4.919 1.190 ( 1.988 -0.325 -3.203) 3.783 1.212 ( 2.044 0.024 0.787) 2.190 1.267 ( 2.620 -0.917 0.331) 2.796 1.343 ( 0.875 0.567 -1.441) 1.779 1.472 ( 8.659 1.825 0.958) 8.901 1.540 ( 1.074 0.147 -0.771) 1.330 1.657 ( 0.017 3.082 -0.197) 3.089 1.760 ( -0.096 1.179 1.107) 1.621 1.809 ( 1.351 2.044 0.020) 2.450 1.839 ( 0.979 1.116 -3.328) 3.644 1.997 ( 1.398 -2.376 2.196) 3.525 2.100 ( 0.433 -0.899 4.476) 4.586 2.192 ( -2.400 -1.721 3.409) 4.510 2.277 ( -0.712 0.745 5.696) 5.788 2.312 ( -0.070 -0.232 2.163) 2.177 2.364 ( -0.967 -1.045 8.275) 8.396 2.651 ( 5.844 -0.062 -0.715) 5.888 2.876 ( -1.946 0.051 -0.205) 1.957 3.362 ( 1.348 -0.075 -4.294) 4.501 3.483 ( -2.216 0.039 -4.330) 4.865 3.691 ( 1.791 -0.005 -3.955) 4.342 3.755 ( 1.796 -0.097 0.436) 1.850 3.977 ( 2.093 0.027 -0.072) 2.094 4.286 ( -5.514 -0.263 0.365) 5.532 4.443 ( -0.641 -0.002 -0.631) 0.900 4.453 ( -0.523 0.292 -0.810) 1.008 4.868 ( 0.689 -0.021 0.933) 1.160 4.890 ( -0.111 0.270 3.324) 3.337 5.193 ( 0.301 -0.128 1.775) 1.805 5.275 ( -2.514 -0.003 1.099) 2.744 5.467 ( 1.726 0.070 2.659) 3.170 5.546 ( -1.243 0.024 2.980) 3.229 5.640 ( 1.153 0.008 0.945) 1.491 5.672 ( 0.627 -0.020 -1.947) 2.045 5.701 ( 0.173 0.024 -0.606) 0.630 5.808 ( -2.857 -0.074 -2.431) 3.753 5.976 ( 0.959 0.024 0.223) 0.985 5.997 ( -0.098 -0.022 1.304) 1.308 7.573 ( 0.702 -0.187 1.920) 2.053 7.657 ( -1.759 0.184 1.580) 2.372 8.302 ( -0.798 0.218 -0.290) 0.877 8.324 ( -1.788 -0.101 -0.294) 1.814 8.449 ( 1.002 0.213 0.513) 1.145 8.485 ( 0.508 -0.329 -0.649) 0.887 8.645 ( -1.144 -0.362 -0.373) 1.257 8.653 ( -1.316 -0.089 -0.446) 1.392 ======================= Grid point 24 (16/100) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 1.765 -1.091 1.866) 2.790 0.952 ( 0.114 -0.009 2.677) 2.680 1.209 ( 0.374 -0.309 1.263) 1.353 1.235 ( 0.508 0.579 0.325) 0.836 1.315 ( 2.142 -1.069 -0.415) 2.430 1.343 ( -0.647 -0.318 -1.891) 2.024 1.537 ( 0.502 0.688 -0.737) 1.126 1.598 ( 1.779 3.902 2.618) 5.024 1.689 ( 3.201 2.328 1.419) 4.204 1.745 ( -1.545 2.122 2.058) 3.335 1.845 ( 1.394 0.029 -4.111) 4.342 1.865 ( 1.714 0.820 -6.138) 6.426 2.012 ( 0.806 -2.898 4.347) 5.287 2.097 ( -0.337 -2.235 5.695) 6.127 2.145 ( -2.349 -0.881 2.857) 3.803 2.268 ( -0.396 2.144 6.918) 7.254 2.322 ( 0.650 -1.071 5.398) 5.542 2.349 ( -0.409 -1.131 4.771) 4.921 2.752 ( 4.799 0.034 -0.732) 4.855 2.828 ( -3.232 0.100 -0.565) 3.282 3.394 ( 2.034 -0.031 -4.713) 5.133 3.438 ( -2.439 0.081 -4.581) 5.191 3.728 ( 2.000 -0.077 -2.274) 3.030 3.762 ( -0.988 -0.027 -0.906) 1.340 4.052 ( 5.655 -0.160 0.207) 5.661 4.171 ( -6.577 -0.235 0.368) 6.591 4.433 ( -0.311 0.018 -0.784) 0.844 4.445 ( -0.250 0.428 -0.518) 0.717 4.878 ( 0.346 -0.023 1.880) 1.911 4.888 ( -0.110 0.236 2.552) 2.565 5.205 ( 1.052 -0.104 1.366) 1.727 5.233 ( -1.886 -0.050 1.058) 2.163 5.496 ( 1.402 0.052 3.055) 3.362 5.522 ( -1.324 0.051 3.107) 3.377 5.661 ( 0.961 -0.011 0.804) 1.253 5.674 ( -0.391 -0.025 0.350) 0.526 5.718 ( 1.627 0.007 -2.748) 3.193 5.757 ( -2.496 -0.033 -2.836) 3.778 5.989 ( 0.439 0.026 0.710) 0.835 5.994 ( -0.172 0.008 1.065) 1.078 7.592 ( 1.357 -0.034 1.805) 2.259 7.622 ( -1.824 0.109 1.697) 2.493 8.291 ( -0.200 0.067 -0.216) 0.301 8.298 ( -0.883 -0.016 -0.238) 0.914 8.467 ( 0.872 -0.021 0.105) 0.879 8.486 ( -0.346 -0.024 -0.271) 0.440 8.629 ( -0.419 -0.396 -0.394) 0.698 8.635 ( -0.562 -0.221 -0.194) 0.635 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 0.088 3.842) 3.843 1.014 ( 0.000 -0.165 -3.322) 3.326 1.016 ( 0.000 -2.377 5.897) 6.358 1.147 ( 0.000 -0.665 1.657) 1.785 1.197 ( 0.000 0.183 -0.687) 0.711 1.231 ( 0.000 0.311 0.019) 0.312 1.275 ( 0.000 1.195 -3.965) 4.141 1.535 ( 0.000 2.754 1.167) 2.991 1.683 ( 0.000 1.052 -0.541) 1.183 1.754 ( 0.000 0.020 -1.925) 1.926 1.767 ( 0.000 0.052 -0.808) 0.809 1.812 ( 0.000 0.695 0.290) 0.753 1.909 ( 0.000 -1.969 -3.014) 3.600 2.094 ( 0.000 -0.444 1.361) 1.431 2.323 ( 0.000 0.028 1.014) 1.014 2.348 ( 0.000 -0.296 0.858) 0.908 2.444 ( 0.000 0.038 -0.404) 0.406 2.515 ( 0.000 0.697 8.169) 8.198 2.586 ( 0.000 -0.414 7.532) 7.544 2.913 ( 0.000 -0.050 -0.060) 0.078 3.223 ( 0.000 -0.246 -5.582) 5.588 3.430 ( 0.000 -0.050 -4.411) 4.411 3.602 ( 0.000 0.131 -0.608) 0.622 3.702 ( 0.000 -0.030 0.480) 0.481 3.979 ( 0.000 0.057 0.630) 0.633 4.399 ( 0.000 -0.104 -0.296) 0.314 4.436 ( 0.000 -0.035 -0.905) 0.905 4.465 ( 0.000 0.022 0.532) 0.532 4.850 ( 0.000 -0.010 0.042) 0.043 4.949 ( 0.000 0.170 1.486) 1.496 5.221 ( 0.000 -0.075 0.777) 0.781 5.391 ( 0.000 0.000 -0.161) 0.161 5.426 ( 0.000 0.056 2.153) 2.154 5.602 ( 0.000 0.002 -1.885) 1.885 5.620 ( 0.000 0.039 1.342) 1.343 5.627 ( 0.000 0.004 0.471) 0.471 5.712 ( 0.000 0.003 0.232) 0.232 5.871 ( 0.000 -0.070 -0.832) 0.835 5.915 ( 0.000 0.012 -0.374) 0.374 6.019 ( 0.000 -0.021 0.533) 0.534 7.592 ( 0.000 -0.165 0.883) 0.898 7.716 ( 0.000 0.064 0.565) 0.568 8.319 ( 0.000 0.181 -0.157) 0.240 8.368 ( 0.000 -0.110 -0.335) 0.352 8.440 ( 0.000 0.051 0.461) 0.463 8.447 ( 0.000 -0.021 -0.336) 0.337 8.663 ( 0.000 -0.253 -0.463) 0.528 8.678 ( 0.000 0.114 -0.203) 0.233 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.642 -0.679 1.950) 2.162 0.954 ( 0.205 -0.520 0.948) 1.101 1.101 ( 4.631 -0.705 1.587) 4.946 1.178 ( 1.206 -0.098 -0.511) 1.313 1.220 ( 4.262 -0.754 1.676) 4.642 1.297 ( 4.759 0.660 -0.363) 4.818 1.313 ( 5.968 0.537 -1.520) 6.182 1.521 ( -1.192 2.201 0.132) 2.506 1.678 ( -0.402 1.638 -0.246) 1.705 1.747 ( -0.919 0.270 -1.103) 1.461 1.765 ( 0.185 0.355 -2.026) 2.065 1.836 ( 1.143 1.393 0.995) 2.058 1.912 ( 1.008 -3.095 -3.265) 4.610 2.114 ( 1.664 -0.353 1.006) 1.976 2.273 ( -3.907 -0.622 0.222) 3.963 2.343 ( -0.335 0.122 0.931) 0.997 2.477 ( 1.444 0.551 5.323) 5.543 2.543 ( 3.266 0.131 3.982) 5.152 2.582 ( -0.086 -0.299 6.804) 6.811 2.902 ( -1.231 -0.033 -0.142) 1.240 3.226 ( 0.389 -0.216 -5.594) 5.611 3.414 ( -1.562 -0.021 -4.478) 4.743 3.619 ( 1.687 0.107 -0.471) 1.755 3.726 ( 2.349 -0.052 0.496) 2.402 3.974 ( -0.371 0.033 0.521) 0.640 4.367 ( -3.182 -0.120 -0.178) 3.189 4.432 ( -0.355 -0.017 -0.791) 0.867 4.464 ( -0.208 0.065 0.391) 0.448 4.859 ( 0.837 -0.010 0.093) 0.842 4.946 ( -0.321 0.157 1.420) 1.464 5.219 ( -0.190 -0.073 0.747) 0.774 5.343 ( -3.144 0.006 0.322) 3.160 5.474 ( 3.048 0.046 1.969) 3.629 5.604 ( 0.266 -0.007 -2.074) 2.091 5.612 ( -0.646 0.030 1.316) 1.466 5.637 ( 0.803 0.012 0.502) 0.947 5.710 ( -0.240 0.002 0.228) 0.331 5.829 ( -3.190 -0.050 -1.036) 3.354 5.946 ( 2.022 0.001 -0.221) 2.034 6.018 ( -0.133 -0.017 0.514) 0.531 7.593 ( 0.183 -0.143 0.865) 0.896 7.706 ( -0.991 0.073 0.590) 1.156 8.313 ( -0.631 0.159 -0.138) 0.665 8.350 ( -1.617 -0.089 -0.284) 1.644 8.446 ( 0.504 0.124 0.427) 0.671 8.457 ( 0.920 -0.130 -0.370) 1.000 8.654 ( -0.857 -0.215 -0.425) 0.980 8.669 ( -0.919 0.071 -0.145) 0.933 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -1.702 -0.999 -1.137) 2.278 0.971 ( 0.049 -0.066 0.460) 0.468 1.183 ( 3.966 -0.218 1.112) 4.125 1.219 ( 3.075 -0.112 -0.048) 3.077 1.301 ( 3.266 -0.959 3.449) 4.846 1.350 ( 2.457 0.478 0.448) 2.543 1.483 ( 3.292 0.582 0.125) 3.346 1.537 ( 8.468 1.322 -1.067) 8.637 1.670 ( -0.402 2.619 -0.078) 2.650 1.734 ( -0.276 0.000 -1.954) 1.973 1.766 ( -0.056 1.143 -2.084) 2.378 1.828 ( -1.335 0.052 -0.001) 1.336 1.958 ( 3.145 -1.987 -1.532) 4.023 2.131 ( -0.401 -1.372 0.406) 1.486 2.212 ( -2.210 -0.416 0.027) 2.249 2.333 ( -0.725 0.300 0.862) 1.166 2.493 ( 0.832 0.614 8.478) 8.541 2.559 ( -0.925 -0.470 7.889) 7.957 2.643 ( 5.325 0.125 0.024) 5.327 2.869 ( -2.241 0.009 -0.331) 2.265 3.240 ( 1.206 -0.135 -5.527) 5.659 3.375 ( -2.539 0.031 -4.658) 5.306 3.661 ( 2.747 0.049 -0.165) 2.753 3.769 ( 1.463 -0.071 0.565) 1.570 3.981 ( 1.801 -0.030 0.217) 1.814 4.286 ( -5.397 -0.129 -0.066) 5.399 4.425 ( -0.278 0.021 -0.524) 0.593 4.456 ( -0.661 0.136 0.208) 0.706 4.879 ( 1.229 -0.005 0.265) 1.257 4.938 ( -0.611 0.125 1.221) 1.371 5.217 ( 0.038 -0.066 0.654) 0.659 5.288 ( -2.623 -0.011 0.299) 2.640 5.525 ( 2.316 0.052 2.764) 3.606 5.597 ( -0.883 0.028 1.702) 1.918 5.616 ( 1.042 -0.022 -2.747) 2.938 5.654 ( 1.013 0.004 0.389) 1.085 5.704 ( -0.428 0.002 0.204) 0.474 5.766 ( -3.399 -0.036 -1.448) 3.695 5.978 ( 1.387 0.009 0.018) 1.387 6.014 ( -0.237 -0.007 0.458) 0.515 7.600 ( 0.645 -0.086 0.822) 1.048 7.681 ( -1.657 0.079 0.648) 1.781 8.299 ( -0.775 0.100 -0.106) 0.789 8.318 ( -1.663 -0.057 -0.207) 1.677 8.457 ( 0.665 0.081 0.245) 0.713 8.474 ( 0.724 -0.120 -0.280) 0.786 8.635 ( -1.022 -0.159 -0.303) 1.078 8.648 ( -1.143 -0.024 -0.085) 1.146 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.462 -0.946 -2.390) 2.611 0.966 ( -0.248 -0.084 -0.338) 0.427 1.245 ( 2.441 -0.094 0.745) 2.554 1.262 ( 0.912 -0.122 0.436) 1.019 1.336 ( 0.820 -0.080 2.238) 2.384 1.375 ( 0.151 -0.376 5.153) 5.169 1.516 ( 1.876 0.543 -1.801) 2.657 1.629 ( -0.706 2.623 -1.980) 3.361 1.720 ( 3.516 1.139 -1.127) 3.864 1.735 ( 0.175 0.087 -3.072) 3.078 1.773 ( 1.686 1.478 -0.153) 2.248 1.809 ( -0.777 0.484 0.448) 1.019 2.013 ( 2.744 -1.883 -0.581) 3.378 2.104 ( -2.080 -3.720 -0.298) 4.273 2.182 ( -1.160 0.917 0.577) 1.587 2.321 ( -0.406 0.620 0.520) 0.905 2.513 ( 1.048 0.082 8.376) 8.441 2.540 ( -0.990 -0.213 8.300) 8.362 2.740 ( 4.727 0.085 -0.472) 4.751 2.817 ( -3.395 0.058 -0.486) 3.430 3.272 ( 2.158 -0.051 -5.294) 5.717 3.324 ( -2.713 0.060 -4.917) 5.616 3.716 ( 2.934 -0.015 0.166) 2.939 3.764 ( -1.797 -0.050 0.449) 1.853 4.053 ( 5.653 -0.091 0.026) 5.653 4.172 ( -6.552 -0.117 -0.010) 6.553 4.423 ( 0.018 0.032 -0.230) 0.233 4.444 ( -0.464 0.198 0.015) 0.504 4.901 ( 1.058 0.005 0.567) 1.200 4.924 ( -0.791 0.096 0.905) 1.206 5.224 ( 0.760 -0.053 0.509) 0.916 5.247 ( -1.731 -0.033 0.360) 1.768 5.558 ( 1.293 0.044 2.860) 3.138 5.579 ( -0.958 0.040 2.229) 2.427 5.647 ( 2.151 -0.036 -2.557) 3.342 5.671 ( 0.488 -0.016 0.101) 0.499 5.694 ( -0.553 0.004 0.011) 0.553 5.707 ( -2.617 -0.010 -1.779) 3.165 5.998 ( 0.765 0.011 0.216) 0.795 6.008 ( -0.395 0.004 0.361) 0.535 7.619 ( 1.299 -0.011 0.767) 1.509 7.648 ( -1.751 0.052 0.710) 1.891 8.288 ( -0.223 0.033 -0.100) 0.246 8.294 ( -0.808 -0.019 -0.143) 0.821 8.468 ( 0.386 -0.040 0.017) 0.389 8.482 ( 0.160 0.022 -0.088) 0.184 8.621 ( -0.398 -0.181 -0.203) 0.482 8.631 ( -0.538 -0.076 -0.077) 0.549 ======================= Grid point 70 (21/100) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 0.000 -0.000 12.225) 12.225 0.577 ( 0.000 -0.000 15.720) 15.720 1.042 ( 0.000 -0.000 3.863) 3.863 1.107 ( 0.000 -0.000 0.851) 0.851 1.238 ( 0.000 0.000 -0.390) 0.390 1.323 ( 0.000 -0.000 24.444) 24.444 1.352 ( 0.000 0.000 -6.213) 6.213 1.518 ( 0.000 0.000 -0.775) 0.775 1.553 ( 0.000 -0.000 1.961) 1.961 1.679 ( 0.000 0.000 -3.417) 3.417 1.783 ( 0.000 0.000 -0.630) 0.630 1.809 ( 0.000 0.000 -2.660) 2.660 1.954 ( 0.000 0.000 -5.838) 5.838 1.991 ( 0.000 -0.000 9.103) 9.103 2.238 ( 0.000 -0.000 0.917) 0.917 2.253 ( 0.000 -0.000 1.441) 1.441 2.277 ( 0.000 -0.000 0.282) 0.282 2.440 ( 0.000 0.000 -2.325) 2.325 2.465 ( 0.000 0.000 -0.160) 0.160 2.896 ( 0.000 -0.000 1.372) 1.372 3.337 ( 0.000 -0.000 1.846) 1.846 3.555 ( 0.000 -0.000 1.327) 1.327 3.660 ( 0.000 -0.000 1.275) 1.275 3.831 ( 0.000 0.000 -10.470) 10.470 3.981 ( 0.000 0.000 -1.846) 1.846 4.407 ( 0.000 -0.000 0.884) 0.884 4.415 ( 0.000 -0.000 1.546) 1.546 4.529 ( 0.000 0.000 -3.287) 3.287 4.799 ( 0.000 -0.000 4.887) 4.887 4.847 ( 0.000 -0.000 0.139) 0.139 5.140 ( 0.000 -0.000 3.083) 3.083 5.291 ( 0.000 -0.000 3.285) 3.285 5.405 ( 0.000 0.000 -0.435) 0.435 5.523 ( 0.000 -0.000 2.445) 2.445 5.588 ( 0.000 -0.000 1.062) 1.062 5.691 ( 0.000 -0.000 0.642) 0.642 5.713 ( 0.000 0.000 -2.839) 2.839 5.924 ( 0.000 0.000 -1.138) 1.138 5.943 ( 0.000 0.000 -0.758) 0.758 5.963 ( 0.000 -0.000 2.080) 2.080 7.523 ( 0.000 -0.000 2.128) 2.128 7.661 ( 0.000 -0.000 1.610) 1.610 8.330 ( 0.000 0.000 -0.594) 0.594 8.390 ( 0.000 0.000 -0.248) 0.248 8.402 ( 0.000 -0.000 1.033) 1.033 8.473 ( 0.000 0.000 -0.676) 0.676 8.672 ( 0.000 -0.000 0.130) 0.130 8.742 ( 0.000 0.000 -2.306) 2.306 ======================= Grid point 71 (22/100) ======================= q-point: ( 0.14 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 2.118 -0.000 14.763) 14.914 0.671 ( 10.418 -0.000 8.976) 13.751 1.084 ( 4.050 -0.000 4.727) 6.225 1.158 ( 4.920 -0.000 0.653) 4.963 1.288 ( 4.366 0.000 -1.576) 4.642 1.343 ( -0.975 0.000 -6.023) 6.102 1.355 ( 3.950 -0.000 19.666) 20.059 1.523 ( 0.645 -0.000 0.772) 1.006 1.553 ( -0.045 -0.000 2.324) 2.324 1.665 ( -1.204 0.000 -3.118) 3.343 1.749 ( -1.833 -0.000 0.041) 1.833 1.853 ( 2.451 0.000 -2.335) 3.385 1.963 ( 0.403 0.000 -3.611) 3.634 1.980 ( -0.688 -0.000 8.110) 8.140 2.239 ( -1.340 -0.000 1.398) 1.937 2.240 ( 0.481 0.000 -0.053) 0.484 2.293 ( 1.325 -0.000 0.399) 1.384 2.357 ( -4.544 0.000 -1.354) 4.741 2.560 ( 5.880 0.000 -0.944) 5.956 2.891 ( -0.611 -0.000 1.095) 1.254 3.349 ( 1.189 -0.000 1.775) 2.136 3.542 ( -1.292 -0.000 1.399) 1.904 3.693 ( 3.172 -0.000 0.740) 3.258 3.828 ( -0.218 0.000 -9.924) 9.927 3.979 ( -0.062 0.000 -1.761) 1.762 4.357 ( -3.787 -0.000 1.639) 4.126 4.437 ( 0.785 -0.000 0.440) 0.900 4.519 ( -1.074 0.000 -3.198) 3.373 4.801 ( 0.191 -0.000 4.852) 4.856 4.846 ( -0.076 -0.000 0.604) 0.608 5.143 ( 0.278 -0.000 2.851) 2.864 5.277 ( -1.399 -0.000 2.658) 3.004 5.412 ( 0.641 -0.000 0.285) 0.702 5.512 ( -1.043 -0.000 2.569) 2.772 5.599 ( 0.967 -0.000 1.041) 1.421 5.685 ( -0.526 -0.000 0.475) 0.709 5.723 ( 0.910 0.000 -2.661) 2.812 5.898 ( -2.068 0.000 -1.684) 2.667 5.957 ( 0.792 0.000 -0.104) 0.799 5.964 ( 0.028 -0.000 2.033) 2.034 7.526 ( 0.281 -0.000 2.076) 2.095 7.650 ( -1.168 -0.000 1.641) 2.014 8.322 ( -0.764 0.000 -0.474) 0.899 8.366 ( -2.040 -0.000 0.009) 2.040 8.412 ( 0.959 -0.000 0.876) 1.298 8.490 ( 1.276 0.000 -1.023) 1.636 8.666 ( -0.557 -0.000 0.059) 0.560 8.712 ( -2.709 0.000 -1.204) 2.964 ======================= Grid point 72 (23/100) ======================= q-point: ( 0.29 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 5.453 -0.000 11.867) 13.060 0.825 ( 5.149 -0.000 6.450) 8.253 1.158 ( 2.926 -0.000 5.591) 6.310 1.261 ( 5.178 -0.000 0.465) 5.199 1.314 ( -1.958 0.000 -4.988) 5.358 1.355 ( 2.566 -0.000 0.043) 2.566 1.474 ( 5.678 -0.000 2.674) 6.276 1.550 ( -0.393 -0.000 3.084) 3.109 1.565 ( 6.164 -0.000 9.939) 11.695 1.653 ( 0.449 0.000 -2.513) 2.552 1.722 ( -1.095 -0.000 0.035) 1.095 1.866 ( -1.040 -0.000 3.305) 3.465 1.957 ( -0.895 -0.000 0.267) 0.934 1.989 ( 1.547 -0.000 2.303) 2.774 2.201 ( -2.654 -0.000 1.908) 3.268 2.238 ( -2.149 0.000 -2.768) 3.505 2.305 ( 0.183 0.000 -0.405) 0.445 2.319 ( 1.316 0.000 -0.229) 1.335 2.669 ( 5.686 0.000 -0.796) 5.742 2.873 ( -1.400 -0.000 0.463) 1.474 3.379 ( 1.993 -0.000 1.566) 2.534 3.510 ( -2.089 -0.000 1.356) 2.491 3.762 ( 3.658 0.000 -0.756) 3.735 3.824 ( -0.197 0.000 -8.409) 8.411 3.989 ( 1.466 0.000 -1.192) 1.890 4.269 ( -5.464 -0.000 1.650) 5.708 4.446 ( 0.269 0.000 -0.497) 0.565 4.494 ( -1.473 0.000 -2.876) 3.231 4.807 ( 0.454 -0.000 4.629) 4.651 4.842 ( -0.406 -0.000 1.752) 1.799 5.153 ( 0.835 -0.000 2.281) 2.429 5.244 ( -1.979 -0.000 1.834) 2.698 5.426 ( 0.865 -0.000 1.364) 1.615 5.489 ( -1.318 -0.000 2.624) 2.937 5.620 ( 1.277 -0.000 0.972) 1.605 5.674 ( -0.628 -0.000 0.604) 0.871 5.744 ( 1.360 0.000 -2.731) 3.051 5.855 ( -2.416 0.000 -2.170) 3.247 5.965 ( 0.096 -0.000 1.890) 1.892 5.968 ( 0.306 -0.000 0.599) 0.672 7.535 ( 0.756 -0.000 1.959) 2.100 7.621 ( -1.837 -0.000 1.708) 2.508 8.305 ( -0.850 0.000 -0.292) 0.898 8.327 ( -1.872 -0.000 0.077) 1.874 8.435 ( 1.449 -0.000 0.581) 1.561 8.505 ( 0.105 0.000 -0.975) 0.981 8.653 ( -0.719 0.000 -0.108) 0.727 8.663 ( -2.090 0.000 -0.220) 2.102 ======================= Grid point 73 (24/100) ======================= q-point: ( 0.43 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 5.949 -0.000 8.414) 10.305 0.857 ( -1.678 -0.000 6.171) 6.395 1.201 ( 2.427 -0.000 3.356) 4.141 1.256 ( -3.178 0.000 -0.675) 3.249 1.349 ( 3.138 0.000 -0.864) 3.255 1.380 ( -0.088 0.000 -0.553) 0.560 1.518 ( 1.080 -0.000 1.533) 1.875 1.537 ( -0.937 -0.000 3.195) 3.329 1.671 ( 2.089 0.000 -3.100) 3.738 1.703 ( -1.224 0.000 -1.975) 2.324 1.747 ( 8.377 -0.000 11.240) 14.018 1.835 ( -2.129 -0.000 8.216) 8.488 1.949 ( 0.910 -0.000 1.680) 1.911 1.995 ( -2.006 -0.000 0.881) 2.191 2.158 ( -0.808 -0.000 0.118) 0.816 2.183 ( -2.755 0.000 -2.567) 3.766 2.329 ( 1.253 0.000 -0.872) 1.526 2.337 ( 0.400 0.000 -0.804) 0.898 2.766 ( 4.509 0.000 -0.550) 4.542 2.834 ( -2.788 0.000 -0.149) 2.792 3.421 ( 2.396 -0.000 1.338) 2.744 3.467 ( -2.453 -0.000 1.271) 2.763 3.810 ( 1.353 0.000 -3.605) 3.851 3.821 ( -0.178 0.000 -6.254) 6.256 4.048 ( 4.903 -0.000 0.323) 4.913 4.157 ( -6.291 -0.000 1.275) 6.419 4.453 ( 0.535 0.000 -1.422) 1.519 4.468 ( -1.144 0.000 -2.261) 2.534 4.818 ( 0.696 -0.000 4.041) 4.100 4.831 ( -0.706 -0.000 3.037) 3.118 5.175 ( 1.493 -0.000 1.730) 2.285 5.207 ( -1.939 -0.000 1.527) 2.468 5.444 ( 1.030 -0.000 2.074) 2.316 5.465 ( -1.232 -0.000 2.459) 2.750 5.643 ( 1.110 -0.000 0.883) 1.419 5.661 ( -0.797 -0.000 0.772) 1.110 5.774 ( 1.788 0.000 -2.736) 3.268 5.811 ( -2.228 0.000 -2.536) 3.375 5.967 ( 0.157 -0.000 1.620) 1.627 5.970 ( -0.057 -0.000 1.187) 1.188 7.555 ( 1.372 -0.000 1.851) 2.304 7.585 ( -1.846 -0.000 1.775) 2.561 8.294 ( -0.204 0.000 -0.140) 0.248 8.301 ( -0.907 0.000 -0.016) 0.907 8.464 ( 1.629 -0.000 0.207) 1.642 8.493 ( -1.289 0.000 -0.342) 1.334 8.641 ( -0.412 0.000 -0.228) 0.471 8.642 ( -0.432 0.000 -0.253) 0.501 ======================= Grid point 77 (25/100) ======================= q-point: ( 0.00 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.000 0.187 9.152) 9.154 0.868 ( 0.000 -1.064 13.313) 13.355 1.098 ( 0.000 -1.563 -0.539) 1.653 1.121 ( 0.000 0.770 1.519) 1.703 1.218 ( 0.000 -0.791 -3.287) 3.381 1.234 ( 0.000 1.139 -1.913) 2.227 1.342 ( 0.000 1.002 -5.660) 5.748 1.525 ( 0.000 0.110 -3.305) 3.307 1.653 ( 0.000 1.323 -0.194) 1.337 1.776 ( 0.000 0.069 -0.940) 0.943 1.789 ( 0.000 -0.385 1.610) 1.655 1.838 ( 0.000 0.026 -5.524) 5.525 1.854 ( 0.000 1.896 14.473) 14.597 2.103 ( 0.000 -1.465 1.182) 1.882 2.255 ( 0.000 0.344 3.775) 3.791 2.290 ( 0.000 -0.001 2.054) 2.054 2.383 ( 0.000 -0.661 10.473) 10.494 2.419 ( 0.000 -0.245 0.733) 0.773 2.455 ( 0.000 0.037 -0.709) 0.710 2.913 ( 0.000 -0.036 0.356) 0.358 3.337 ( 0.000 0.019 -3.042) 3.042 3.531 ( 0.000 -0.066 -3.961) 3.962 3.655 ( 0.000 0.034 -6.164) 6.164 3.685 ( 0.000 -0.024 1.172) 1.172 3.963 ( 0.000 0.115 0.205) 0.235 4.410 ( 0.000 -0.082 -0.380) 0.389 4.445 ( 0.000 0.019 1.361) 1.361 4.471 ( 0.000 -0.050 -2.469) 2.470 4.849 ( 0.000 -0.010 0.106) 0.106 4.890 ( 0.000 0.141 3.963) 3.965 5.193 ( 0.000 -0.062 2.174) 2.175 5.362 ( 0.000 0.056 3.695) 3.695 5.397 ( 0.000 0.001 -0.397) 0.397 5.576 ( 0.000 -0.002 2.711) 2.711 5.610 ( 0.000 0.006 1.074) 1.074 5.654 ( 0.000 0.022 -3.014) 3.014 5.704 ( 0.000 0.002 0.579) 0.579 5.898 ( 0.000 -0.060 -1.492) 1.493 5.927 ( 0.000 0.010 -0.812) 0.812 5.999 ( 0.000 -0.021 1.474) 1.474 7.566 ( 0.000 -0.143 2.024) 2.030 7.693 ( 0.000 0.078 1.460) 1.462 8.320 ( 0.000 0.159 -0.375) 0.407 8.381 ( 0.000 -0.105 -0.596) 0.605 8.423 ( 0.000 0.110 1.002) 1.008 8.459 ( 0.000 -0.079 -0.669) 0.674 8.673 ( 0.000 -0.060 0.048) 0.076 8.698 ( 0.000 -0.135 -1.979) 1.984 ======================= Grid point 78 (26/100) ======================= q-point: ( 0.14 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 6.206 -0.203 7.073) 9.412 0.863 ( 0.072 -0.606 11.465) 11.481 1.140 ( 3.515 -0.775 -2.665) 4.478 1.159 ( 3.272 0.220 1.665) 3.678 1.235 ( 1.589 -0.312 -2.012) 2.583 1.273 ( 4.615 0.375 0.076) 4.631 1.353 ( 1.542 0.872 -4.722) 5.043 1.531 ( 0.570 -0.150 -3.131) 3.186 1.639 ( -1.255 1.596 -0.121) 2.034 1.764 ( -0.836 -0.727 1.294) 1.703 1.782 ( -1.177 1.543 2.369) 3.063 1.809 ( 1.168 0.581 -0.909) 1.590 1.948 ( 5.154 0.030 5.180) 7.308 2.102 ( -0.022 -0.990 2.170) 2.385 2.243 ( -1.058 -0.530 3.796) 3.976 2.285 ( -0.580 0.479 2.376) 2.492 2.349 ( -3.610 -0.468 1.159) 3.820 2.383 ( -0.271 -0.187 9.688) 9.693 2.542 ( 5.764 -0.078 -0.712) 5.809 2.903 ( -1.041 -0.016 0.195) 1.059 3.344 ( 0.703 -0.001 -3.409) 3.480 3.518 ( -1.384 -0.038 -4.107) 4.334 3.665 ( 0.997 0.025 -5.545) 5.634 3.710 ( 2.428 -0.037 1.045) 2.643 3.962 ( -0.009 0.086 0.101) 0.133 4.373 ( -3.453 -0.096 0.131) 3.457 4.449 ( 0.045 0.020 0.751) 0.753 4.464 ( -0.710 0.001 -2.242) 2.352 4.855 ( 0.584 -0.013 0.306) 0.660 4.889 ( -0.049 0.132 3.818) 3.821 5.192 ( -0.059 -0.060 2.070) 2.071 5.324 ( -2.692 0.024 1.728) 3.199 5.430 ( 2.160 0.025 1.718) 2.760 5.566 ( -0.899 0.001 2.770) 2.912 5.620 ( 0.903 0.006 1.061) 1.393 5.659 ( 0.514 0.013 -2.938) 2.983 5.702 ( -0.146 0.003 0.446) 0.469 5.861 ( -2.683 -0.043 -1.915) 3.297 5.952 ( 1.543 0.002 -0.364) 1.586 5.998 ( -0.072 -0.018 1.430) 1.432 7.567 ( 0.188 -0.126 1.984) 1.997 7.682 ( -1.086 0.082 1.511) 1.863 8.314 ( -0.630 0.136 -0.327) 0.722 8.361 ( -1.815 -0.073 -0.453) 1.872 8.430 ( 0.695 0.104 0.883) 1.128 8.472 ( 1.044 -0.118 -0.796) 1.318 8.666 ( -0.710 -0.096 -0.024) 0.716 8.682 ( -1.479 -0.078 -1.508) 2.114 ======================= Grid point 79 (27/100) ======================= q-point: ( 0.29 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 1.690 -0.771 7.690) 7.911 0.926 ( 2.970 0.168 3.436) 4.544 1.194 ( 1.887 -0.235 -4.107) 4.526 1.210 ( 1.829 0.163 1.005) 2.093 1.279 ( 2.947 -0.801 1.239) 3.296 1.336 ( 1.161 0.492 -1.927) 2.303 1.455 ( 7.945 0.821 1.421) 8.113 1.544 ( 0.755 -0.452 -2.145) 2.318 1.625 ( 0.419 1.830 -0.214) 1.890 1.754 ( -0.747 0.028 1.496) 1.673 1.788 ( 2.206 1.199 0.880) 2.661 1.832 ( 1.188 0.240 -3.554) 3.755 2.016 ( 1.950 -0.887 4.025) 4.560 2.103 ( 0.037 0.029 4.770) 4.770 2.218 ( -1.851 -1.856 4.275) 5.015 2.266 ( -1.358 0.967 3.047) 3.473 2.311 ( -0.021 0.125 1.894) 1.898 2.373 ( -0.824 -0.395 8.300) 8.350 2.652 ( 5.793 -0.033 -0.845) 5.854 2.875 ( -1.982 0.021 -0.181) 1.991 3.363 ( 1.348 -0.024 -4.162) 4.375 3.483 ( -2.255 0.008 -4.396) 4.941 3.691 ( 1.820 0.002 -4.044) 4.434 3.756 ( 1.770 -0.034 0.471) 1.832 3.977 ( 2.198 0.007 -0.010) 2.198 4.288 ( -5.517 -0.104 0.338) 5.528 4.444 ( -0.543 -0.169 -0.115) 0.581 4.449 ( -0.719 0.285 -1.311) 1.522 4.868 ( 0.696 -0.024 0.908) 1.145 4.888 ( -0.095 0.120 3.383) 3.386 5.194 ( 0.291 -0.053 1.766) 1.790 5.275 ( -2.490 0.002 1.113) 2.728 5.466 ( 1.729 0.027 2.662) 3.174 5.546 ( -1.253 0.009 2.962) 3.217 5.640 ( 1.160 0.003 0.948) 1.499 5.672 ( 0.649 -0.007 -1.958) 2.063 5.701 ( 0.166 0.010 -0.582) 0.605 5.808 ( -2.875 -0.030 -2.450) 3.777 5.976 ( 0.953 0.009 0.230) 0.981 5.997 ( -0.111 -0.008 1.296) 1.301 7.574 ( 0.638 -0.080 1.890) 1.997 7.655 ( -1.743 0.079 1.617) 2.378 8.300 ( -0.729 0.083 -0.247) 0.774 8.325 ( -1.824 -0.037 -0.301) 1.849 8.447 ( 1.066 0.066 0.593) 1.222 8.487 ( 0.441 -0.115 -0.768) 0.893 8.649 ( -1.073 -0.302 -0.340) 1.165 8.652 ( -1.335 0.124 -0.585) 1.463 ======================= Grid point 80 (28/100) ======================= q-point: ( 0.43 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 2.066 -0.861 3.362) 4.039 0.948 ( -0.294 0.440 1.987) 2.056 1.215 ( 0.565 -0.615 0.347) 0.904 1.227 ( 0.207 0.689 1.198) 1.398 1.327 ( 1.841 -0.731 -0.530) 2.051 1.345 ( -0.101 -0.025 -2.228) 2.230 1.536 ( 1.042 -0.370 0.390) 1.173 1.559 ( 0.594 2.377 0.673) 2.541 1.671 ( 3.504 0.802 1.735) 3.991 1.727 ( -2.137 0.847 2.490) 3.389 1.847 ( 2.321 -0.217 -4.426) 5.002 1.856 ( 1.462 0.538 -5.909) 6.111 2.041 ( 1.589 -1.720 5.350) 5.840 2.094 ( -1.233 1.106 6.840) 7.038 2.184 ( -1.339 -4.042 3.873) 5.756 2.236 ( -1.431 3.219 4.861) 6.003 2.332 ( 1.457 -0.550 3.881) 4.181 2.357 ( -0.826 -0.256 5.654) 5.719 2.752 ( 4.774 0.006 -0.791) 4.839 2.827 ( -3.245 0.043 -0.560) 3.293 3.394 ( 2.034 -0.022 -4.653) 5.078 3.437 ( -2.465 0.037 -4.644) 5.257 3.729 ( 2.072 -0.041 -2.340) 3.125 3.762 ( -1.052 0.004 -0.817) 1.333 4.054 ( 5.709 -0.065 0.201) 5.712 4.173 ( -6.598 -0.094 0.343) 6.607 4.435 ( -0.312 -0.302 -0.690) 0.816 4.439 ( -0.287 0.481 -0.576) 0.804 4.879 ( 0.415 -0.088 1.819) 1.868 4.886 ( -0.170 0.169 2.645) 2.656 5.206 ( 1.044 -0.044 1.357) 1.712 5.233 ( -1.873 -0.016 1.063) 2.153 5.495 ( 1.424 0.017 3.057) 3.372 5.521 ( -1.346 0.023 3.102) 3.382 5.661 ( 0.974 -0.006 0.810) 1.267 5.674 ( -0.405 -0.009 0.363) 0.544 5.717 ( 1.646 0.003 -2.758) 3.212 5.757 ( -2.515 -0.013 -2.845) 3.797 5.989 ( 0.444 0.010 0.714) 0.841 5.994 ( -0.185 0.003 1.065) 1.081 7.592 ( 1.283 -0.015 1.795) 2.206 7.621 ( -1.769 0.045 1.712) 2.463 8.291 ( -0.133 0.024 -0.205) 0.245 8.298 ( -0.932 -0.003 -0.225) 0.958 8.468 ( 1.081 -0.042 0.172) 1.095 8.485 ( -0.591 0.019 -0.349) 0.687 8.633 ( -0.384 -0.223 -0.423) 0.613 8.636 ( -0.535 -0.018 -0.302) 0.614 ======================= Grid point 84 (29/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.000 0.297 3.810) 3.822 1.017 ( 0.000 -0.219 -3.498) 3.505 1.041 ( 0.000 -1.697 3.782) 4.145 1.160 ( 0.000 -1.404 1.418) 1.996 1.193 ( 0.000 0.457 -0.445) 0.638 1.225 ( 0.000 0.724 -0.033) 0.724 1.270 ( 0.000 -0.126 -1.884) 1.888 1.504 ( 0.000 2.474 1.901) 3.120 1.666 ( 0.000 1.483 0.250) 1.504 1.755 ( 0.000 -0.104 -2.093) 2.096 1.766 ( 0.000 0.162 -0.571) 0.594 1.809 ( 0.000 -0.086 0.869) 0.874 1.926 ( 0.000 -0.841 -3.084) 3.196 2.101 ( 0.000 -0.706 0.184) 0.729 2.323 ( 0.000 -0.028 1.062) 1.063 2.352 ( 0.000 -0.281 1.225) 1.256 2.443 ( 0.000 0.060 -0.389) 0.394 2.509 ( 0.000 0.422 8.081) 8.092 2.589 ( 0.000 -0.117 7.286) 7.287 2.914 ( 0.000 -0.034 -0.105) 0.110 3.225 ( 0.000 -0.147 -5.760) 5.762 3.430 ( 0.000 -0.057 -4.420) 4.421 3.601 ( 0.000 0.102 -0.501) 0.511 3.702 ( 0.000 -0.020 0.451) 0.452 3.978 ( 0.000 0.037 0.704) 0.705 4.400 ( 0.000 -0.064 -0.398) 0.403 4.436 ( 0.000 -0.027 -0.944) 0.944 4.465 ( 0.000 0.014 0.553) 0.553 4.851 ( 0.000 -0.006 0.031) 0.032 4.948 ( 0.000 0.108 1.651) 1.654 5.222 ( 0.000 -0.047 0.704) 0.706 5.391 ( 0.000 0.000 -0.161) 0.161 5.426 ( 0.000 0.037 2.205) 2.206 5.602 ( 0.000 -0.002 -1.876) 1.876 5.620 ( 0.000 0.029 1.371) 1.372 5.627 ( 0.000 0.003 0.476) 0.476 5.712 ( 0.000 0.002 0.234) 0.234 5.871 ( 0.000 -0.047 -0.896) 0.897 5.915 ( 0.000 0.008 -0.363) 0.363 6.019 ( 0.000 -0.013 0.512) 0.512 7.594 ( 0.000 -0.119 0.727) 0.737 7.715 ( 0.000 0.054 0.629) 0.631 8.317 ( 0.000 0.113 0.020) 0.114 8.369 ( 0.000 -0.066 -0.447) 0.452 8.440 ( 0.000 0.031 0.586) 0.587 8.447 ( 0.000 -0.011 -0.431) 0.431 8.666 ( 0.000 -0.258 -0.754) 0.797 8.676 ( 0.000 0.162 -0.061) 0.173 ======================= Grid point 85 (30/100) ======================= q-point: ( 0.14 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 1.352 -0.506 2.086) 2.537 0.958 ( -1.845 -0.142 -0.769) 2.004 1.108 ( 4.166 -0.493 1.208) 4.365 1.177 ( 0.934 0.222 -0.519) 1.092 1.235 ( 5.006 -1.539 1.407) 5.423 1.290 ( 4.487 0.346 0.341) 4.514 1.311 ( 6.475 -0.046 -0.270) 6.481 1.496 ( -0.657 1.971 0.947) 2.283 1.653 ( -1.225 2.174 0.178) 2.502 1.744 ( -0.784 -0.004 -1.312) 1.529 1.759 ( -0.420 0.584 -1.196) 1.396 1.827 ( 1.119 0.261 1.403) 1.813 1.947 ( 1.851 -2.411 -3.475) 4.616 2.111 ( 0.975 0.480 -0.223) 1.110 2.290 ( -3.064 -2.025 0.380) 3.692 2.335 ( -0.709 1.246 0.773) 1.629 2.471 ( 1.132 0.407 6.449) 6.560 2.543 ( 3.928 -0.102 2.792) 4.820 2.584 ( -0.420 0.017 7.015) 7.027 2.902 ( -1.248 -0.022 -0.169) 1.260 3.228 ( 0.364 -0.135 -5.753) 5.766 3.415 ( -1.594 -0.032 -4.465) 4.741 3.617 ( 1.714 0.082 -0.384) 1.758 3.726 ( 2.366 -0.033 0.446) 2.408 3.973 ( -0.346 0.021 0.569) 0.667 4.369 ( -3.171 -0.075 -0.297) 3.186 4.432 ( -0.359 -0.035 -0.811) 0.887 4.464 ( -0.262 0.064 0.453) 0.527 4.859 ( 0.839 -0.010 0.084) 0.844 4.945 ( -0.310 0.102 1.571) 1.605 5.220 ( -0.191 -0.046 0.677) 0.705 5.343 ( -3.138 0.005 0.333) 3.155 5.473 ( 3.046 0.030 2.004) 3.647 5.605 ( 0.285 -0.014 -2.103) 2.122 5.611 ( -0.657 0.029 1.374) 1.523 5.637 ( 0.805 0.007 0.508) 0.952 5.710 ( -0.239 0.002 0.230) 0.332 5.829 ( -3.197 -0.033 -1.081) 3.375 5.946 ( 2.020 0.000 -0.219) 2.032 6.018 ( -0.136 -0.011 0.497) 0.515 7.595 ( 0.160 -0.103 0.730) 0.754 7.705 ( -0.997 0.058 0.662) 1.198 8.311 ( -0.609 0.099 0.015) 0.617 8.351 ( -1.633 -0.054 -0.370) 1.675 8.445 ( 0.504 0.060 0.529) 0.733 8.458 ( 0.947 -0.064 -0.482) 1.065 8.657 ( -0.898 -0.217 -0.663) 1.137 8.668 ( -0.870 0.119 -0.056) 0.880 ======================= Grid point 86 (31/100) ======================= q-point: ( 0.29 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -1.560 -1.915 -1.727) 3.014 0.961 ( -0.230 1.538 -0.300) 1.584 1.186 ( 3.923 -0.205 1.156) 4.095 1.219 ( 3.133 0.065 -0.202) 3.140 1.320 ( 2.826 -2.170 3.640) 5.093 1.348 ( 3.204 0.077 1.613) 3.588 1.479 ( 1.657 0.224 -0.772) 1.842 1.521 ( 9.933 1.351 1.067) 10.081 1.629 ( -0.842 3.448 -0.550) 3.592 1.735 ( -0.178 -0.317 -1.347) 1.395 1.754 ( -0.036 0.994 -1.520) 1.817 1.831 ( -0.780 -0.326 1.539) 1.756 1.985 ( 2.165 -2.207 -2.976) 4.291 2.129 ( 0.719 1.001 -1.295) 1.788 2.239 ( -2.326 -3.464 0.440) 4.196 2.319 ( -1.138 2.155 0.678) 2.530 2.488 ( 1.048 0.362 9.116) 9.183 2.564 ( -1.051 -0.365 7.479) 7.561 2.642 ( 5.432 0.136 -0.022) 5.433 2.869 ( -2.266 0.003 -0.315) 2.288 3.241 ( 1.166 -0.103 -5.625) 5.745 3.375 ( -2.572 0.019 -4.611) 5.280 3.661 ( 2.785 0.036 -0.128) 2.788 3.770 ( 1.459 -0.043 0.500) 1.543 3.981 ( 1.840 -0.019 0.197) 1.851 4.287 ( -5.399 -0.080 -0.194) 5.403 4.426 ( -0.260 -0.072 -0.489) 0.559 4.454 ( -0.733 0.173 0.322) 0.819 4.879 ( 1.232 -0.019 0.266) 1.260 4.936 ( -0.599 0.093 1.338) 1.469 5.217 ( 0.034 -0.043 0.591) 0.594 5.288 ( -2.611 -0.007 0.291) 2.627 5.524 ( 2.315 0.032 2.793) 3.628 5.596 ( -0.891 0.018 1.731) 1.947 5.616 ( 1.056 -0.012 -2.756) 2.951 5.654 ( 1.020 0.002 0.392) 1.093 5.704 ( -0.429 0.002 0.207) 0.476 5.766 ( -3.408 -0.023 -1.479) 3.715 5.978 ( 1.383 0.005 0.027) 1.384 6.014 ( -0.243 -0.004 0.450) 0.511 7.601 ( 0.606 -0.062 0.740) 0.958 7.680 ( -1.652 0.058 0.725) 1.805 8.298 ( -0.739 0.063 -0.012) 0.742 8.318 ( -1.681 -0.034 -0.257) 1.700 8.457 ( 0.727 0.006 0.349) 0.807 8.475 ( 0.660 -0.027 -0.431) 0.789 8.637 ( -1.021 -0.184 -0.439) 1.127 8.648 ( -1.105 0.057 -0.126) 1.114 ======================= Grid point 87 (32/100) ======================= q-point: ( 0.43 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.347 -2.481 -2.594) 3.606 0.952 ( -0.393 2.274 -1.420) 2.710 1.248 ( 2.420 -0.226 0.875) 2.583 1.264 ( 0.976 -0.101 0.261) 1.015 1.349 ( 0.763 -1.852 3.519) 4.049 1.380 ( 0.099 -0.407 5.645) 5.660 1.510 ( 2.223 0.374 -2.529) 3.388 1.585 ( -1.299 4.138 -1.070) 4.467 1.707 ( 4.734 0.676 0.692) 4.832 1.738 ( 0.543 -0.283 -2.191) 2.275 1.760 ( 1.103 0.645 -0.866) 1.544 1.804 ( -2.124 0.368 1.516) 2.635 2.036 ( 3.477 -1.859 -2.273) 4.551 2.126 ( -1.720 0.138 -2.996) 3.458 2.200 ( -1.413 -4.003 1.966) 4.678 2.299 ( -0.659 3.059 0.599) 3.186 2.513 ( 1.455 -0.065 8.528) 8.651 2.542 ( -1.278 -0.120 7.936) 8.040 2.739 ( 4.762 0.038 -0.413) 4.780 2.816 ( -3.431 0.038 -0.436) 3.459 3.273 ( 2.190 -0.103 -5.295) 5.731 3.323 ( -2.780 0.088 -4.883) 5.619 3.716 ( 2.975 -0.015 0.150) 2.979 3.764 ( -1.824 -0.023 0.403) 1.868 4.054 ( 5.676 -0.059 -0.058) 5.676 4.173 ( -6.563 -0.071 -0.126) 6.565 4.424 ( 0.103 -0.234 -0.125) 0.284 4.440 ( -0.571 0.384 0.128) 0.699 4.902 ( 1.111 -0.065 0.593) 1.261 4.923 ( -0.837 0.125 0.979) 1.294 5.224 ( 0.753 -0.036 0.458) 0.882 5.247 ( -1.721 -0.020 0.331) 1.753 5.558 ( 1.313 0.019 2.887) 3.172 5.579 ( -0.977 0.035 2.249) 2.453 5.647 ( 2.158 -0.024 -2.573) 3.358 5.671 ( 0.506 -0.011 0.093) 0.515 5.694 ( -0.537 -0.002 0.046) 0.539 5.707 ( -2.659 -0.001 -1.814) 3.219 5.998 ( 0.766 0.007 0.227) 0.799 6.008 ( -0.400 0.003 0.365) 0.542 7.619 ( 1.258 -0.010 0.756) 1.468 7.647 ( -1.724 0.036 0.759) 1.884 8.288 ( -0.189 0.020 -0.070) 0.202 8.294 ( -0.832 -0.010 -0.157) 0.847 8.469 ( 0.517 -0.172 0.062) 0.548 8.481 ( 0.011 0.174 -0.163) 0.238 8.624 ( -0.341 -0.273 -0.313) 0.537 8.631 ( -0.562 0.091 -0.210) 0.607 ======================= Grid point 91 (33/100) ======================= q-point: ( 0.00 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 0.000 0.316 -3.892) 3.905 0.990 ( 0.000 1.850 -7.504) 7.728 1.013 ( 0.000 -0.026 3.250) 3.250 1.146 ( 0.000 -0.559 -1.980) 2.058 1.196 ( 0.000 0.454 0.220) 0.504 1.232 ( 0.000 0.057 0.597) 0.600 1.296 ( 0.000 -2.131 5.041) 5.473 1.565 ( 0.000 -2.356 1.010) 2.563 1.682 ( 0.000 1.423 1.181) 1.849 1.755 ( 0.000 -0.155 2.025) 2.031 1.767 ( 0.000 0.109 0.783) 0.790 1.824 ( 0.000 -1.212 0.768) 1.435 1.888 ( 0.000 1.425 1.105) 1.803 2.091 ( 0.000 0.174 -1.490) 1.500 2.324 ( 0.000 -0.095 -0.966) 0.971 2.347 ( 0.000 -0.019 -1.063) 1.063 2.444 ( 0.000 0.020 0.431) 0.432 2.524 ( 0.000 -0.711 -7.708) 7.740 2.579 ( 0.000 0.688 -8.138) 8.167 2.913 ( 0.000 0.042 0.008) 0.042 3.220 ( 0.000 0.235 5.362) 5.367 3.429 ( 0.000 0.010 4.414) 4.414 3.604 ( 0.000 -0.091 0.713) 0.719 3.701 ( 0.000 0.027 -0.513) 0.514 3.979 ( 0.000 -0.050 -0.543) 0.546 4.398 ( 0.000 0.097 0.182) 0.206 4.435 ( 0.000 0.025 0.863) 0.863 4.465 ( 0.000 -0.019 -0.508) 0.508 4.850 ( 0.000 0.009 -0.053) 0.054 4.951 ( 0.000 -0.154 -1.300) 1.310 5.220 ( 0.000 0.068 -0.857) 0.859 5.391 ( 0.000 -0.000 0.162) 0.162 5.427 ( 0.000 -0.047 -2.098) 2.099 5.602 ( 0.000 -0.007 1.899) 1.899 5.620 ( 0.000 -0.029 -1.313) 1.313 5.627 ( 0.000 -0.004 -0.465) 0.465 5.712 ( 0.000 -0.002 -0.230) 0.230 5.870 ( 0.000 0.060 0.759) 0.761 5.915 ( 0.000 -0.011 0.387) 0.387 6.019 ( 0.000 0.019 -0.558) 0.558 7.590 ( 0.000 0.129 -1.052) 1.059 7.716 ( 0.000 -0.039 -0.500) 0.502 8.321 ( 0.000 -0.171 0.366) 0.404 8.367 ( 0.000 0.109 0.203) 0.231 8.441 ( 0.000 -0.049 -0.293) 0.297 8.447 ( 0.000 0.023 0.203) 0.204 8.660 ( 0.000 0.156 0.244) 0.290 8.679 ( 0.000 -0.042 0.253) 0.257 ======================= Grid point 92 (34/100) ======================= q-point: ( 0.14 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -1.201 0.148 -2.457) 2.738 0.944 ( 0.829 1.165 -2.145) 2.578 1.093 ( 4.968 0.548 -1.618) 5.254 1.176 ( 1.283 0.064 0.391) 1.343 1.218 ( 3.677 -0.266 -1.399) 3.943 1.298 ( 7.076 0.419 -1.212) 7.191 1.329 ( 3.666 -2.062 3.769) 5.648 1.548 ( -1.422 -2.389 1.664) 3.240 1.679 ( -0.292 1.829 1.092) 2.150 1.749 ( -0.981 -0.236 1.742) 2.013 1.767 ( 0.495 0.052 2.146) 2.203 1.855 ( 1.642 -1.230 0.761) 2.188 1.889 ( 1.007 0.174 0.619) 1.195 2.101 ( 0.822 1.625 -1.601) 2.425 2.277 ( -3.611 -1.215 -0.426) 3.834 2.339 ( -0.446 0.888 -1.082) 1.470 2.483 ( 1.842 -0.476 -4.237) 4.645 2.546 ( 2.731 -0.452 -4.721) 5.473 2.577 ( 0.123 0.707 -7.032) 7.069 2.901 ( -1.212 0.028 0.112) 1.217 3.223 ( 0.432 0.197 5.398) 5.419 3.414 ( -1.537 -0.006 4.502) 4.757 3.620 ( 1.663 -0.077 0.558) 1.756 3.725 ( 2.328 0.048 -0.552) 2.393 3.974 ( -0.399 -0.030 -0.463) 0.612 4.366 ( -3.194 0.111 0.047) 3.196 4.432 ( -0.316 -0.019 0.780) 0.842 4.465 ( -0.185 -0.028 -0.333) 0.382 4.859 ( 0.841 0.004 -0.103) 0.848 4.948 ( -0.338 -0.139 -1.249) 1.302 5.218 ( -0.187 0.066 -0.824) 0.848 5.343 ( -3.151 -0.005 -0.313) 3.166 5.474 ( 3.051 -0.040 -1.930) 3.611 5.604 ( 0.263 -0.006 2.101) 2.118 5.612 ( -0.654 -0.014 -1.310) 1.465 5.637 ( 0.801 -0.011 -0.493) 0.941 5.710 ( -0.240 -0.001 -0.226) 0.330 5.828 ( -3.182 0.043 0.985) 3.331 5.946 ( 2.025 -0.001 0.223) 2.037 6.017 ( -0.128 0.016 -0.534) 0.550 7.592 ( 0.208 0.112 -1.013) 1.040 7.707 ( -0.982 -0.049 -0.516) 1.110 8.315 ( -0.659 -0.148 0.320) 0.747 8.349 ( -1.596 0.087 0.180) 1.609 8.448 ( 0.529 -0.183 -0.277) 0.624 8.455 ( 0.862 0.190 0.212) 0.907 8.652 ( -0.816 0.124 0.229) 0.857 8.669 ( -0.968 -0.005 0.172) 0.984 ======================= Grid point 93 (35/100) ======================= q-point: ( 0.29 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -1.449 -0.276 0.334) 1.512 0.960 ( -0.226 1.608 -0.857) 1.836 1.182 ( 4.237 0.012 -1.185) 4.400 1.217 ( 3.043 0.282 -0.099) 3.058 1.297 ( 3.788 -0.098 -3.767) 5.342 1.360 ( 1.641 -1.108 -0.018) 1.980 1.495 ( 5.271 -1.565 0.232) 5.504 1.551 ( 6.429 -1.121 2.706) 7.065 1.672 ( -0.200 2.387 1.288) 2.720 1.737 ( -0.143 -0.754 2.548) 2.661 1.773 ( 0.238 0.212 2.859) 2.876 1.844 ( -1.608 -2.629 0.974) 3.232 1.945 ( 3.325 0.463 -0.226) 3.364 2.101 ( -1.277 3.111 -2.269) 4.057 2.227 ( -1.578 -2.264 0.063) 2.761 2.326 ( -0.832 1.393 -1.046) 1.930 2.501 ( 0.664 -0.615 -7.716) 7.769 2.554 ( -0.896 0.395 -8.485) 8.541 2.644 ( 5.352 -0.047 0.003) 5.353 2.869 ( -2.210 -0.012 0.346) 2.237 3.239 ( 1.279 0.096 5.406) 5.556 3.375 ( -2.523 -0.029 4.714) 5.347 3.662 ( 2.712 -0.038 0.205) 2.720 3.768 ( 1.464 0.069 -0.640) 1.600 3.980 ( 1.755 0.026 -0.236) 1.771 4.284 ( -5.395 0.119 -0.073) 5.397 4.426 ( -0.219 -0.132 0.581) 0.635 4.456 ( -0.660 -0.008 -0.101) 0.667 4.879 ( 1.246 -0.019 -0.262) 1.273 4.939 ( -0.643 -0.095 -1.091) 1.270 5.216 ( 0.045 0.058 -0.724) 0.728 5.288 ( -2.636 0.011 -0.310) 2.654 5.526 ( 2.320 -0.048 -2.731) 3.583 5.597 ( -0.883 -0.025 -1.680) 1.898 5.616 ( 1.031 0.022 2.749) 2.936 5.654 ( 1.007 -0.005 -0.385) 1.078 5.704 ( -0.427 -0.001 -0.201) 0.472 5.765 ( -3.389 0.031 1.413) 3.672 5.978 ( 1.391 -0.008 -0.008) 1.391 6.014 ( -0.230 0.007 -0.467) 0.520 7.600 ( 0.686 0.066 -0.911) 1.142 7.681 ( -1.659 -0.060 -0.565) 1.754 8.300 ( -0.817 -0.094 0.221) 0.852 8.317 ( -1.643 0.056 0.142) 1.650 8.459 ( 0.634 -0.193 -0.113) 0.672 8.472 ( 0.750 0.236 0.100) 0.792 8.634 ( -0.988 0.046 0.158) 1.002 8.647 ( -1.214 0.103 0.023) 1.219 ======================= Grid point 94 (36/100) ======================= q-point: ( 0.43 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.339 -0.890 1.799) 2.036 0.951 ( -0.393 2.317 -0.117) 2.353 1.246 ( 2.427 -0.232 -0.630) 2.518 1.261 ( 1.051 0.114 -0.449) 1.148 1.345 ( 1.291 -1.192 -3.213) 3.662 1.373 ( -0.083 -0.187 -4.652) 4.656 1.525 ( 1.184 -1.244 2.871) 3.346 1.634 ( -0.487 1.791 3.816) 4.244 1.729 ( 2.805 -0.855 2.757) 4.025 1.745 ( 1.154 -1.242 2.813) 3.284 1.786 ( 1.892 -0.330 1.728) 2.583 1.821 ( -0.309 -2.117 0.293) 2.159 1.993 ( 2.170 1.606 -1.225) 2.964 2.062 ( -2.540 2.947 -3.177) 5.023 2.205 ( -0.911 -2.676 0.284) 2.841 2.314 ( -0.346 1.776 -0.562) 1.894 2.515 ( 0.729 -0.297 -8.204) 8.242 2.537 ( -0.788 0.274 -8.562) 8.603 2.741 ( 4.724 -0.099 0.523) 4.754 2.817 ( -3.375 -0.051 0.537) 3.418 3.272 ( 2.248 -0.058 5.271) 5.731 3.324 ( -2.762 0.019 4.970) 5.686 3.716 ( 2.905 0.005 -0.183) 2.911 3.763 ( -1.783 0.059 -0.506) 1.854 4.052 ( 5.628 0.081 -0.119) 5.630 4.171 ( -6.541 0.109 -0.115) 6.543 4.425 ( 0.078 -0.315 0.345) 0.473 4.444 ( -0.500 0.113 0.113) 0.525 4.902 ( 1.110 -0.098 -0.530) 1.234 4.925 ( -0.849 -0.001 -0.829) 1.186 5.223 ( 0.770 0.045 -0.564) 0.956 5.246 ( -1.745 0.031 -0.396) 1.789 5.559 ( 1.290 -0.053 -2.833) 3.114 5.579 ( -0.957 -0.020 -2.201) 2.400 5.646 ( 2.146 0.031 2.539) 3.325 5.671 ( 0.461 0.013 -0.101) 0.472 5.694 ( -0.540 -0.011 -0.009) 0.540 5.706 ( -2.598 0.017 1.767) 3.142 5.998 ( 0.763 -0.010 -0.204) 0.790 6.008 ( -0.389 -0.004 -0.356) 0.527 7.618 ( 1.342 0.007 -0.780) 1.552 7.648 ( -1.778 -0.042 -0.656) 1.896 8.289 ( -0.262 -0.032 0.139) 0.298 8.293 ( -0.780 0.021 0.121) 0.790 8.469 ( 0.342 -0.177 0.006) 0.385 8.481 ( 0.218 0.215 0.043) 0.309 8.620 ( -0.399 -0.025 0.048) 0.403 8.629 ( -0.569 0.227 -0.057) 0.615 ======================= Grid point 98 (37/100) ======================= q-point: ( 0.00 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.000 0.158 -8.986) 8.987 0.818 ( 0.000 2.415 -10.838) 11.104 1.067 ( 0.000 0.259 -3.269) 3.279 1.122 ( 0.000 0.689 2.667) 2.755 1.202 ( 0.000 0.703 1.116) 1.319 1.262 ( 0.000 -0.984 2.951) 3.111 1.396 ( 0.000 -2.726 5.068) 5.754 1.543 ( 0.000 -1.926 0.213) 1.938 1.702 ( 0.000 -1.156 0.348) 1.207 1.780 ( 0.000 -0.254 1.410) 1.433 1.811 ( 0.000 -2.563 -1.640) 3.043 1.839 ( 0.000 0.035 5.286) 5.286 1.912 ( 0.000 -0.948 -7.245) 7.306 2.047 ( 0.000 1.128 0.556) 1.257 2.257 ( 0.000 0.777 -7.860) 7.899 2.290 ( 0.000 -0.106 -2.061) 2.064 2.346 ( 0.000 1.746 -10.249) 10.397 2.407 ( 0.000 0.780 -2.838) 2.943 2.456 ( 0.000 -0.041 0.709) 0.710 2.911 ( 0.000 0.101 -0.365) 0.379 3.336 ( 0.000 0.138 3.742) 3.744 3.529 ( 0.000 0.015 3.800) 3.800 3.656 ( 0.000 0.021 5.722) 5.722 3.684 ( 0.000 0.071 -1.190) 1.192 3.970 ( 0.000 -0.354 0.205) 0.409 4.405 ( 0.000 0.251 0.316) 0.403 4.446 ( 0.000 -0.056 -1.337) 1.338 4.469 ( 0.000 0.108 2.397) 2.400 4.849 ( 0.000 0.030 -0.125) 0.129 4.897 ( 0.000 -0.399 -3.850) 3.870 5.190 ( 0.000 0.150 -2.189) 2.194 5.365 ( 0.000 -0.121 -3.628) 3.630 5.397 ( 0.000 -0.002 0.399) 0.399 5.576 ( 0.000 -0.013 -2.836) 2.836 5.611 ( 0.000 -0.018 -1.057) 1.057 5.656 ( 0.000 -0.054 3.087) 3.088 5.704 ( 0.000 -0.004 -0.581) 0.581 5.894 ( 0.000 0.161 1.415) 1.424 5.928 ( 0.000 -0.028 0.820) 0.820 5.998 ( 0.000 0.064 -1.515) 1.517 7.559 ( 0.000 0.344 -2.108) 2.136 7.697 ( 0.000 -0.152 -1.360) 1.369 8.329 ( 0.000 -0.509 0.617) 0.800 8.375 ( 0.000 0.337 0.406) 0.528 8.430 ( 0.000 -0.459 -0.673) 0.815 8.453 ( 0.000 0.369 0.396) 0.541 8.671 ( 0.000 0.095 0.370) 0.382 8.690 ( 0.000 0.411 1.056) 1.133 ======================= Grid point 99 (38/100) ======================= q-point: ( 0.14 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 2.348 1.248 -8.324) 8.738 0.840 ( 4.271 1.180 -8.233) 9.349 1.120 ( 4.334 0.119 -0.450) 4.359 1.160 ( 3.541 0.231 1.280) 3.773 1.223 ( 1.822 0.696 0.861) 2.132 1.283 ( 3.342 -0.234 0.975) 3.489 1.399 ( 0.805 -2.371 3.891) 4.627 1.543 ( 0.150 -1.900 0.572) 1.990 1.694 ( -0.719 -1.086 0.276) 1.331 1.776 ( -0.086 -1.453 0.434) 1.519 1.821 ( 0.631 -1.846 0.288) 1.972 1.847 ( 0.797 -2.187 1.711) 2.889 1.935 ( 1.851 1.487 -2.228) 3.256 2.061 ( 1.397 1.424 -1.274) 2.367 2.227 ( -2.378 0.326 -6.146) 6.598 2.293 ( -0.128 0.268 -4.664) 4.674 2.326 ( -2.157 0.884 -4.368) 4.952 2.368 ( -1.147 1.165 -7.691) 7.863 2.539 ( 5.816 0.132 0.393) 5.830 2.902 ( -0.941 0.048 -0.173) 0.958 3.342 ( 0.659 0.143 3.978) 4.035 3.517 ( -1.292 -0.017 3.941) 4.147 3.665 ( 0.977 0.014 5.175) 5.267 3.708 ( 2.375 0.115 -1.052) 2.600 3.967 ( -0.172 -0.273 0.247) 0.407 4.368 ( -3.500 0.279 -0.185) 3.516 4.451 ( 0.059 -0.139 -0.515) 0.536 4.463 ( -0.479 0.061 1.970) 2.028 4.855 ( 0.589 0.021 -0.322) 0.672 4.896 ( -0.106 -0.364 -3.712) 3.732 5.189 ( -0.049 0.147 -2.085) 2.091 5.325 ( -2.758 -0.043 -1.652) 3.215 5.431 ( 2.191 -0.066 -1.736) 2.797 5.567 ( -0.887 -0.016 -2.859) 2.993 5.620 ( 0.901 -0.020 -1.053) 1.386 5.660 ( 0.468 -0.030 2.975) 3.012 5.702 ( -0.135 -0.009 -0.426) 0.447 5.859 ( -2.653 0.117 1.853) 3.238 5.953 ( 1.562 -0.009 0.372) 1.606 5.998 ( -0.052 0.054 -1.465) 1.467 7.561 ( 0.275 0.304 -2.066) 2.106 7.686 ( -1.062 -0.173 -1.411) 1.775 8.321 ( -0.757 -0.438 0.525) 1.020 8.356 ( -1.692 0.248 0.352) 1.746 8.437 ( 0.651 -0.468 -0.607) 1.006 8.464 ( 0.917 0.498 0.480) 1.149 8.662 ( -0.870 0.156 0.380) 0.962 8.677 ( -1.263 0.314 0.772) 1.513 ======================= Grid point 100 (39/100) ======================= q-point: ( 0.29 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 2.421 0.933 -5.496) 6.077 0.921 ( 2.951 0.845 -3.932) 4.989 1.187 ( 2.406 0.270 2.817) 3.715 1.211 ( 1.862 -0.024 -0.811) 2.031 1.259 ( 2.329 0.488 0.071) 2.381 1.348 ( 0.755 -0.291 0.603) 1.010 1.494 ( 9.580 -1.902 -0.430) 9.776 1.551 ( 0.996 -1.758 -0.285) 2.040 1.684 ( -0.175 -1.053 0.104) 1.072 1.781 ( 0.450 -2.431 -0.312) 2.492 1.831 ( 0.722 -1.695 1.885) 2.636 1.860 ( 0.432 -2.488 2.022) 3.234 1.966 ( 1.269 2.573 -0.135) 2.872 2.074 ( -0.798 3.535 -2.773) 4.563 2.190 ( -1.463 -1.189 -4.531) 4.907 2.284 ( -0.504 -0.371 -7.216) 7.243 2.303 ( -0.017 1.241 -3.193) 3.426 2.350 ( -1.163 1.410 -8.366) 8.563 2.650 ( 5.915 0.046 0.558) 5.941 2.876 ( -1.890 -0.054 0.236) 1.905 3.361 ( 1.380 0.106 4.462) 4.672 3.484 ( -2.179 -0.071 4.244) 4.772 3.691 ( 1.767 0.019 3.833) 4.221 3.754 ( 1.825 0.131 -0.406) 1.874 3.978 ( 1.930 -0.046 0.180) 1.939 4.283 ( -5.508 0.295 -0.406) 5.531 4.444 ( -0.617 -0.223 0.853) 1.076 4.455 ( -0.403 -0.102 0.611) 0.739 4.868 ( 0.715 -0.024 -0.925) 1.170 4.894 ( -0.169 -0.269 -3.280) 3.296 5.191 ( 0.313 0.136 -1.783) 1.815 5.275 ( -2.551 0.015 -1.087) 2.773 5.468 ( 1.724 -0.081 -2.654) 3.166 5.546 ( -1.230 -0.029 -3.004) 3.246 5.640 ( 1.144 -0.011 -0.940) 1.480 5.671 ( 0.595 0.024 1.929) 2.019 5.701 ( 0.184 -0.027 0.641) 0.668 5.807 ( -2.831 0.083 2.405) 3.716 5.976 ( 0.968 -0.029 -0.212) 0.991 5.996 ( -0.078 0.026 -1.317) 1.319 7.570 ( 0.794 0.191 -1.957) 2.121 7.659 ( -1.776 -0.186 -1.532) 2.353 8.305 ( -0.909 -0.272 0.360) 1.014 8.322 ( -1.730 0.139 0.277) 1.757 8.452 ( 0.909 -0.386 -0.369) 1.054 8.480 ( 0.606 0.507 0.457) 0.912 8.642 ( -1.184 0.249 0.365) 1.264 8.651 ( -1.363 0.265 0.284) 1.417 ======================= Grid point 101 (40/100) ======================= q-point: ( 0.43 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 1.873 0.410 -1.055) 2.188 0.947 ( 0.157 0.824 -2.201) 2.356 1.209 ( 0.412 -0.311 -1.431) 1.521 1.239 ( 0.815 -0.060 -0.401) 0.910 1.304 ( 2.266 0.805 0.140) 2.408 1.339 ( -1.259 0.398 1.312) 1.861 1.553 ( 0.413 -2.155 0.719) 2.309 1.640 ( 2.001 -2.774 -2.624) 4.311 1.718 ( 4.633 -2.288 -1.437) 5.363 1.778 ( -1.235 -3.714 -1.906) 4.353 1.848 ( 0.693 -0.488 3.806) 3.899 1.873 ( 1.073 -0.448 6.137) 6.246 1.978 ( 0.148 2.801 -3.228) 4.276 2.045 ( -1.420 5.526 -1.954) 6.030 2.162 ( -1.358 -2.672 -4.326) 5.263 2.284 ( 0.298 -0.598 -7.679) 7.708 2.310 ( 0.193 0.909 -6.663) 6.727 2.330 ( -0.465 2.003 -5.207) 5.598 2.753 ( 4.852 -0.064 0.653) 4.897 2.829 ( -3.229 -0.101 0.566) 3.279 3.394 ( 2.086 -0.006 4.754) 5.192 3.439 ( -2.450 -0.068 4.525) 5.146 3.728 ( 1.957 0.041 2.238) 2.974 3.761 ( -0.951 0.097 0.970) 1.362 4.050 ( 5.570 0.173 -0.207) 5.576 4.168 ( -6.544 0.262 -0.403) 6.562 4.435 ( -0.281 -0.319 0.842) 0.943 4.448 ( -0.223 -0.175 0.513) 0.586 4.879 ( 0.381 -0.129 -1.848) 1.892 4.890 ( -0.157 -0.128 -2.531) 2.540 5.204 ( 1.071 0.109 -1.375) 1.746 5.232 ( -1.915 0.072 -1.059) 2.190 5.497 ( 1.387 -0.073 -3.052) 3.353 5.522 ( -1.306 -0.047 -3.113) 3.376 5.661 ( 0.946 0.007 -0.798) 1.237 5.674 ( -0.375 0.033 -0.332) 0.502 5.718 ( 1.598 -0.008 2.734) 3.167 5.757 ( -2.468 0.039 2.823) 3.750 5.989 ( 0.432 -0.030 -0.702) 0.825 5.994 ( -0.153 -0.008 -1.065) 1.076 7.592 ( 1.462 0.031 -1.819) 2.334 7.624 ( -1.900 -0.116 -1.675) 2.535 8.292 ( -0.299 -0.094 0.239) 0.394 8.298 ( -0.812 0.037 0.250) 0.850 8.468 ( 0.653 -0.153 -0.023) 0.671 8.484 ( -0.067 0.188 0.196) 0.279 8.625 ( -0.475 0.333 0.290) 0.649 8.631 ( -0.608 0.380 0.065) 0.719 ======================= Grid point 105 (41/100) ======================= q-point: ( 0.00 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 0.000 -0.591 -11.561) 11.576 0.601 ( 0.000 -1.807 -11.072) 11.218 0.984 ( 0.000 2.487 -4.729) 5.343 1.127 ( 0.000 0.674 -1.448) 1.597 1.244 ( 0.000 -1.463 1.737) 2.271 1.346 ( 0.000 0.511 -18.913) 18.920 1.353 ( 0.000 0.308 5.431) 5.440 1.516 ( 0.000 -2.280 -3.615) 4.274 1.606 ( 0.000 -3.854 -2.421) 4.551 1.714 ( 0.000 -3.171 0.363) 3.191 1.813 ( 0.000 -1.987 0.785) 2.136 1.820 ( 0.000 -0.817 3.062) 3.170 1.951 ( 0.000 0.265 5.650) 5.656 2.019 ( 0.000 -1.396 -6.029) 6.188 2.175 ( 0.000 4.097 -2.019) 4.568 2.253 ( 0.000 -0.011 -1.501) 1.501 2.263 ( 0.000 2.679 1.351) 3.000 2.416 ( 0.000 1.043 1.470) 1.803 2.465 ( 0.000 -0.043 0.127) 0.134 2.895 ( 0.000 0.071 -1.325) 1.327 3.348 ( 0.000 -0.545 -1.405) 1.508 3.550 ( 0.000 0.347 -1.540) 1.579 3.659 ( 0.000 0.065 -1.255) 1.257 3.826 ( 0.000 0.330 10.375) 10.381 3.991 ( 0.000 -0.727 1.990) 2.119 4.404 ( 0.000 0.226 -0.797) 0.829 4.416 ( 0.000 -0.070 -1.542) 1.544 4.527 ( 0.000 0.112 3.344) 3.345 4.805 ( 0.000 -0.376 -4.999) 5.013 4.846 ( 0.000 0.048 -0.150) 0.158 5.139 ( 0.000 0.053 -2.968) 2.968 5.294 ( 0.000 -0.141 -3.278) 3.281 5.405 ( 0.000 -0.003 0.435) 0.435 5.520 ( 0.000 0.211 -2.743) 2.751 5.589 ( 0.000 -0.037 -1.049) 1.050 5.691 ( 0.000 0.001 -0.647) 0.647 5.715 ( 0.000 -0.126 2.911) 2.914 5.920 ( 0.000 0.260 0.982) 1.016 5.944 ( 0.000 -0.031 0.757) 0.758 5.962 ( 0.000 0.104 -2.100) 2.102 7.518 ( 0.000 0.334 -2.055) 2.082 7.665 ( 0.000 -0.256 -1.543) 1.564 8.339 ( 0.000 -0.717 0.757) 1.043 8.383 ( 0.000 0.519 0.112) 0.531 8.411 ( 0.000 -0.724 -0.850) 1.116 8.466 ( 0.000 0.580 0.527) 0.784 8.670 ( 0.000 -0.030 -0.365) 0.367 8.724 ( 0.000 1.241 1.619) 2.040 ======================= Grid point 106 (42/100) ======================= q-point: ( 0.14 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 2.216 -1.639 -10.607) 10.959 0.674 ( 9.560 0.077 -8.839) 13.020 1.045 ( 5.807 1.395 -5.128) 7.872 1.173 ( 4.343 0.464 -1.721) 4.695 1.273 ( 2.786 0.067 2.557) 3.782 1.348 ( 0.286 0.170 1.819) 1.849 1.372 ( 2.376 0.917 -11.267) 11.552 1.520 ( 0.303 -2.391 -3.199) 4.005 1.595 ( -0.989 -3.118 -4.717) 5.740 1.709 ( -0.335 -3.484 -0.304) 3.514 1.788 ( -0.988 -2.410 1.422) 2.967 1.854 ( 1.472 -0.122 2.121) 2.584 1.965 ( 0.846 -0.330 2.943) 3.080 2.009 ( -0.375 -1.756 -5.228) 5.528 2.178 ( 0.247 3.712 0.353) 3.737 2.229 ( -1.242 2.253 -1.581) 3.020 2.281 ( 0.557 1.015 0.253) 1.185 2.351 ( -3.514 0.287 1.182) 3.719 2.550 ( 5.884 0.477 0.505) 5.925 2.891 ( -0.533 0.011 -1.069) 1.194 3.357 ( 0.938 -0.418 -1.454) 1.780 3.537 ( -1.222 0.300 -1.592) 2.029 3.691 ( 3.123 0.127 -0.769) 3.219 3.825 ( -0.122 0.272 9.862) 9.866 3.987 ( -0.254 -0.609 1.878) 1.990 4.353 ( -3.848 0.225 -1.547) 4.154 4.439 ( 0.896 -0.112 -0.457) 1.012 4.517 ( -1.000 0.072 3.221) 3.374 4.806 ( 0.142 -0.346 -4.941) 4.955 4.846 ( -0.047 0.028 -0.608) 0.610 5.141 ( 0.280 0.063 -2.741) 2.756 5.279 ( -1.482 -0.088 -2.648) 3.035 5.413 ( 0.680 -0.039 -0.301) 0.745 5.510 ( -0.933 0.136 -2.739) 2.897 5.599 ( 0.961 -0.030 -1.035) 1.413 5.685 ( -0.538 0.008 -0.481) 0.721 5.724 ( 0.867 -0.100 2.711) 2.848 5.895 ( -2.014 0.202 1.578) 2.566 5.958 ( 0.808 -0.019 0.085) 0.813 5.962 ( 0.060 0.087 -2.028) 2.031 7.521 ( 0.329 0.307 -2.021) 2.071 7.654 ( -1.170 -0.267 -1.590) 1.992 8.330 ( -0.923 -0.591 0.584) 1.242 8.362 ( -1.841 0.302 -0.017) 1.866 8.420 ( 0.908 -0.707 -0.661) 1.327 8.480 ( 1.105 0.799 0.733) 1.548 8.662 ( -0.808 0.133 -0.376) 0.902 8.702 ( -2.027 0.756 1.140) 2.445 ======================= Grid point 107 (43/100) ======================= q-point: ( 0.29 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 5.133 -1.406 -9.459) 10.853 0.821 ( 5.170 0.552 -6.383) 8.233 1.149 ( 4.184 -0.249 -5.178) 6.662 1.259 ( 4.132 0.422 -0.090) 4.155 1.304 ( -0.304 0.520 3.590) 3.641 1.380 ( 2.733 -0.356 2.538) 3.746 1.448 ( 4.690 2.069 -5.975) 7.872 1.523 ( 0.306 -0.722 -1.621) 1.801 1.598 ( 2.610 -1.594 -10.087) 10.540 1.707 ( 0.222 -4.280 -3.386) 5.462 1.774 ( -0.533 -2.595 1.939) 3.283 1.865 ( 0.271 -0.187 -0.225) 0.399 1.958 ( -1.307 -0.763 -3.245) 3.581 2.029 ( 1.907 -2.533 0.590) 3.225 2.160 ( -2.723 3.049 0.633) 4.136 2.219 ( -0.361 1.967 0.066) 2.001 2.270 ( -0.760 1.559 0.320) 1.764 2.324 ( 0.379 0.648 0.873) 1.151 2.663 ( 5.887 0.408 0.475) 5.920 2.874 ( -1.371 -0.070 -0.494) 1.459 3.382 ( 1.768 -0.169 -1.449) 2.292 3.507 ( -2.010 0.215 -1.550) 2.547 3.760 ( 3.699 0.105 0.782) 3.783 3.823 ( -0.026 0.124 8.370) 8.371 3.992 ( 1.160 -0.272 1.296) 1.760 4.266 ( -5.477 0.273 -1.577) 5.706 4.449 ( 0.316 -0.237 0.481) 0.622 4.494 ( -1.345 -0.042 2.822) 3.126 4.811 ( 0.376 -0.270 -4.663) 4.686 4.843 ( -0.349 -0.027 -1.758) 1.792 5.151 ( 0.838 0.078 -2.194) 2.350 5.245 ( -2.043 -0.006 -1.832) 2.744 5.427 ( 0.869 -0.071 -1.377) 1.630 5.489 ( -1.244 0.032 -2.673) 2.949 5.621 ( 1.267 -0.021 -0.964) 1.592 5.674 ( -0.630 0.019 -0.598) 0.869 5.745 ( 1.316 -0.051 2.742) 3.041 5.853 ( -2.349 0.130 2.135) 3.177 5.964 ( 0.136 0.050 -1.884) 1.890 5.968 ( 0.309 -0.045 -0.617) 0.692 7.532 ( 0.865 0.214 -1.940) 2.135 7.625 ( -1.895 -0.249 -1.687) 2.549 8.310 ( -1.036 -0.344 0.338) 1.143 8.326 ( -1.771 0.106 -0.024) 1.774 8.441 ( 1.287 -0.574 -0.383) 1.461 8.495 ( 0.336 0.775 0.717) 1.109 8.643 ( -1.057 0.465 -0.347) 1.205 8.663 ( -1.835 0.250 0.631) 1.956 ======================= Grid point 108 (44/100) ======================= q-point: ( 0.43 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 5.221 -0.713 -7.580) 9.231 0.859 ( -1.033 -0.019 -6.356) 6.440 1.203 ( 1.985 -0.691 -1.736) 2.726 1.275 ( -1.940 -0.846 1.556) 2.627 1.332 ( 3.404 0.675 1.298) 3.705 1.392 ( -1.658 0.153 2.848) 3.299 1.499 ( 2.162 0.932 -7.528) 7.887 1.533 ( -0.376 0.466 -3.593) 3.642 1.665 ( 1.766 -1.812 -3.575) 4.380 1.717 ( -0.003 -0.365 -4.143) 4.159 1.802 ( 4.333 -2.714 -2.980) 5.918 1.881 ( 0.946 -2.384 -1.301) 2.876 1.931 ( -0.938 -0.443 -2.943) 3.120 2.044 ( -1.690 -3.117 -1.435) 3.825 2.099 ( -1.752 3.273 1.995) 4.214 2.201 ( -0.945 -0.003 1.273) 1.585 2.275 ( 0.505 2.774 1.164) 3.050 2.337 ( 0.620 1.432 0.667) 1.697 2.763 ( 4.685 0.170 0.336) 4.700 2.835 ( -2.859 -0.031 0.033) 2.860 3.421 ( 2.280 0.014 -1.389) 2.670 3.465 ( -2.375 0.122 -1.434) 2.777 3.807 ( 1.022 0.041 4.208) 4.331 3.826 ( 0.265 -0.078 5.775) 5.782 4.046 ( 4.716 0.103 -0.246) 4.724 4.154 ( -6.240 0.247 -1.213) 6.362 4.455 ( 0.387 -0.239 1.481) 1.549 4.472 ( -0.930 -0.200 2.079) 2.286 4.820 ( 0.554 -0.168 -3.975) 4.017 4.833 ( -0.572 -0.115 -3.109) 3.163 5.173 ( 1.487 0.081 -1.680) 2.244 5.207 ( -1.955 0.047 -1.510) 2.470 5.445 ( 0.992 -0.060 -2.082) 2.307 5.466 ( -1.175 -0.033 -2.476) 2.741 5.643 ( 1.093 -0.003 -0.871) 1.398 5.661 ( -0.785 0.013 -0.764) 1.095 5.773 ( 1.746 0.000 2.736) 3.246 5.810 ( -2.175 0.056 2.529) 3.336 5.967 ( 0.190 0.001 -1.623) 1.634 5.970 ( -0.072 -0.037 -1.197) 1.199 7.554 ( 1.524 0.050 -1.855) 2.401 7.587 ( -1.979 -0.133 -1.777) 2.663 8.296 ( -0.387 -0.112 0.148) 0.429 8.301 ( -0.771 -0.025 0.080) 0.776 8.466 ( 1.230 -0.230 -0.061) 1.253 8.490 ( -0.745 0.209 0.264) 0.818 8.631 ( -0.158 0.593 -0.017) 0.614 8.638 ( -0.894 0.444 0.340) 1.054 ======================= Grid point 112 (45/100) ======================= q-point: ( 0.00 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.000 -2.150 -12.538) 12.721 0.375 ( 0.000 -9.606 -8.147) 12.596 0.781 ( 0.000 -8.031 -29.967) 31.024 0.926 ( 0.000 4.116 -2.862) 5.014 1.103 ( 0.000 0.118 -1.034) 1.040 1.255 ( 0.000 -1.713 0.619) 1.821 1.403 ( 0.000 6.202 -8.966) 10.902 1.430 ( 0.000 0.333 2.029) 2.056 1.607 ( 0.000 -3.385 1.699) 3.787 1.734 ( 0.000 -0.037 2.344) 2.344 1.839 ( 0.000 -4.298 1.818) 4.667 1.886 ( 0.000 -1.012 3.559) 3.700 1.954 ( 0.000 -2.766 2.821) 3.951 2.050 ( 0.000 0.396 3.816) 3.836 2.155 ( 0.000 3.017 -2.174) 3.719 2.235 ( 0.000 0.092 -0.400) 0.411 2.320 ( 0.000 -0.152 2.261) 2.266 2.461 ( 0.000 -0.002 -0.448) 0.448 2.461 ( 0.000 2.342 1.778) 2.940 2.864 ( 0.000 -0.006 -1.576) 1.576 3.309 ( 0.000 -0.793 -1.572) 1.761 3.503 ( 0.000 0.539 -2.602) 2.658 3.639 ( 0.000 0.025 -0.769) 0.769 4.019 ( 0.000 -0.276 3.024) 3.037 4.039 ( 0.000 -0.186 8.459) 8.461 4.364 ( 0.000 0.019 -3.581) 3.581 4.390 ( 0.000 -0.062 -1.013) 1.015 4.591 ( 0.000 -0.000 2.743) 2.743 4.714 ( 0.000 -0.113 -3.585) 3.587 4.844 ( 0.000 0.053 -0.103) 0.116 5.082 ( 0.000 -0.137 -2.522) 2.526 5.241 ( 0.000 -0.054 -1.930) 1.931 5.412 ( 0.000 -0.002 0.272) 0.272 5.475 ( 0.000 0.648 -1.995) 2.097 5.572 ( 0.000 -0.045 -0.622) 0.623 5.680 ( 0.000 0.007 -0.412) 0.412 5.766 ( 0.000 -0.172 2.251) 2.257 5.921 ( 0.000 0.114 -1.856) 1.860 5.934 ( 0.000 0.477 0.037) 0.479 5.956 ( 0.000 -0.025 0.420) 0.421 7.486 ( 0.000 0.187 -1.208) 1.222 7.638 ( 0.000 -0.315 -0.963) 1.013 8.348 ( 0.000 -0.646 0.446) 0.785 8.388 ( 0.000 0.358 0.265) 0.446 8.392 ( 0.000 -0.755 -0.587) 0.956 8.479 ( 0.000 0.593 0.374) 0.702 8.655 ( 0.000 0.891 -1.584) 1.818 8.757 ( 0.000 1.705 0.489) 1.773 ======================= Grid point 113 (46/100) ======================= q-point: ( 0.14 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 3.247 -8.136 -7.645) 11.627 0.504 ( 13.272 -1.247 -8.092) 15.594 0.809 ( 4.341 -3.824 -24.445) 25.120 1.018 ( 8.963 1.991 -4.743) 10.334 1.165 ( 5.374 -1.033 -1.170) 5.596 1.324 ( 4.284 2.076 1.267) 4.926 1.390 ( -0.404 3.564 -4.977) 6.135 1.443 ( 0.989 1.478 0.284) 1.801 1.592 ( -1.528 -2.673 1.730) 3.531 1.718 ( -1.567 0.295 2.290) 2.790 1.827 ( -0.470 -4.483 2.157) 4.997 1.899 ( -1.248 -1.206 2.452) 3.004 1.931 ( -0.330 -1.513 1.300) 2.022 2.032 ( -1.358 -0.892 2.245) 2.771 2.179 ( 2.067 2.657 -2.075) 3.954 2.227 ( -0.806 0.309 0.499) 0.997 2.318 ( 0.166 0.080 1.349) 1.362 2.381 ( -3.416 0.765 1.466) 3.796 2.562 ( 5.774 0.950 0.179) 5.854 2.865 ( -0.039 -0.019 -1.329) 1.329 3.315 ( 0.812 -0.601 -1.851) 2.109 3.491 ( -1.246 0.460 -2.583) 2.905 3.679 ( 3.885 0.213 -0.487) 3.921 4.014 ( -0.470 -0.057 3.966) 3.994 4.026 ( -1.245 -0.308 6.700) 6.821 4.308 ( -4.037 0.081 -3.268) 5.195 4.429 ( 2.240 -0.115 -0.500) 2.298 4.581 ( -1.027 0.010 2.864) 3.042 4.713 ( 0.003 -0.118 -3.831) 3.833 4.832 ( -1.231 0.008 -0.791) 1.463 5.090 ( 0.855 -0.126 -2.186) 2.351 5.233 ( -0.857 -0.020 -1.795) 1.989 5.411 ( -0.111 -0.024 0.057) 0.127 5.465 ( -0.941 0.267 -1.962) 2.193 5.582 ( 0.994 -0.027 -0.609) 1.166 5.675 ( -0.529 0.010 -0.412) 0.671 5.774 ( 0.813 -0.122 2.182) 2.331 5.918 ( -1.068 0.271 0.015) 1.102 5.923 ( -0.190 0.073 -1.425) 1.440 5.958 ( 0.070 0.040 0.104) 0.132 7.490 ( 0.374 0.190 -1.192) 1.264 7.626 ( -1.242 -0.302 -1.019) 1.634 8.336 ( -1.115 -0.559 0.348) 1.295 8.357 ( -2.083 0.037 -0.589) 2.165 8.406 ( 1.144 -0.875 -0.256) 1.463 8.504 ( 1.580 1.228 1.346) 2.412 8.648 ( -0.720 0.980 -1.571) 1.987 8.717 ( -3.023 -0.107 -0.160) 3.030 ======================= Grid point 114 (47/100) ======================= q-point: ( 0.29 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 7.420 -4.586 -6.224) 10.716 0.683 ( 6.377 -0.946 -8.375) 10.568 0.920 ( 5.747 -0.116 -15.426) 16.462 1.204 ( 5.090 2.225 -4.612) 7.220 1.271 ( 6.424 -0.246 -4.379) 7.778 1.342 ( 2.127 -2.544 -4.229) 5.374 1.432 ( 2.574 2.694 2.169) 4.311 1.464 ( 1.791 0.770 0.720) 2.078 1.562 ( -1.019 -0.964 1.250) 1.879 1.687 ( -1.459 1.083 2.298) 2.930 1.827 ( 0.175 -3.124 -0.505) 3.169 1.855 ( -1.868 -2.066 3.635) 4.580 1.926 ( -1.182 0.844 0.782) 1.649 2.015 ( -0.957 -2.951 -0.837) 3.213 2.183 ( -1.609 1.475 0.296) 2.203 2.233 ( 1.069 0.434 -0.434) 1.233 2.329 ( 0.568 1.143 1.879) 2.271 2.343 ( -0.273 0.535 1.979) 2.068 2.671 ( 5.674 0.657 0.010) 5.712 2.859 ( -0.724 0.003 -0.807) 1.084 3.340 ( 1.764 -0.197 -2.055) 2.715 3.460 ( -1.914 0.382 -2.494) 3.167 3.771 ( 5.625 0.196 0.216) 5.632 3.988 ( -2.137 -0.000 7.636) 7.930 4.017 ( 0.385 -0.228 1.155) 1.239 4.222 ( -5.084 0.132 -2.948) 5.878 4.465 ( 1.663 -0.156 1.193) 2.053 4.556 ( -1.604 -0.014 3.095) 3.486 4.717 ( 0.510 -0.122 -4.268) 4.300 4.801 ( -1.904 -0.066 -2.228) 2.932 5.112 ( 1.480 -0.068 -1.587) 2.171 5.210 ( -1.499 0.029 -1.441) 2.079 5.410 ( 0.063 -0.046 -0.444) 0.451 5.446 ( -1.034 0.034 -1.665) 1.961 5.605 ( 1.334 -0.028 -0.586) 1.458 5.663 ( -0.730 0.012 -0.446) 0.856 5.795 ( 1.345 -0.045 2.197) 2.577 5.888 ( -1.787 0.102 1.234) 2.174 5.926 ( 0.273 0.051 -1.885) 1.905 5.955 ( -0.416 0.006 -0.618) 0.745 7.501 ( 0.904 0.153 -1.148) 1.469 7.595 ( -1.937 -0.243 -1.064) 2.223 8.313 ( -1.174 -0.320 0.166) 1.228 8.322 ( -1.623 -0.062 -0.380) 1.668 8.432 ( 1.567 -0.694 -0.189) 1.725 8.517 ( -0.369 0.988 0.920) 1.400 8.634 ( -0.509 0.946 -0.969) 1.447 8.671 ( -1.823 -0.503 0.148) 1.896 ======================= Grid point 115 (48/100) ======================= q-point: ( 0.43 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 7.267 -1.250 -4.890) 8.848 0.739 ( -1.095 0.392 -5.119) 5.250 1.022 ( 5.962 -1.154 -13.455) 14.762 1.151 ( -6.336 -0.144 -11.220) 12.886 1.355 ( 3.146 1.116 0.898) 3.456 1.405 ( -0.467 0.787 0.498) 1.042 1.462 ( 1.402 -1.332 1.800) 2.642 1.509 ( 0.741 -1.688 -0.208) 1.855 1.614 ( 6.428 0.545 -1.969) 6.745 1.671 ( -0.234 2.405 1.571) 2.882 1.808 ( -1.674 0.152 0.008) 1.681 1.854 ( 0.847 -4.154 1.258) 4.422 1.902 ( -0.783 -0.274 0.559) 1.000 1.971 ( -3.196 -1.911 -2.008) 4.230 2.162 ( -0.336 1.014 1.535) 1.871 2.236 ( -0.366 -1.380 0.181) 1.440 2.338 ( 0.513 1.938 2.928) 3.548 2.356 ( 0.717 1.143 1.129) 1.759 2.767 ( 4.392 0.385 -0.098) 4.410 2.831 ( -2.384 0.133 -0.361) 2.414 3.378 ( 2.240 0.106 -2.199) 3.141 3.421 ( -2.262 0.282 -2.351) 3.275 3.873 ( 4.785 0.082 2.349) 5.331 3.943 ( -2.724 -0.094 5.346) 6.001 4.043 ( 2.750 -0.035 -0.068) 2.751 4.122 ( -5.262 0.090 -2.019) 5.636 4.494 ( 1.513 -0.133 2.514) 2.937 4.524 ( -1.658 -0.083 3.074) 3.494 4.734 ( 1.313 -0.119 -4.260) 4.459 4.765 ( -1.886 -0.113 -3.539) 4.012 5.144 ( 1.815 -0.001 -1.213) 2.183 5.179 ( -1.839 0.027 -1.190) 2.191 5.415 ( 0.459 -0.040 -0.941) 1.048 5.428 ( -0.843 -0.027 -1.336) 1.580 5.629 ( 1.172 -0.016 -0.546) 1.293 5.648 ( -0.883 0.002 -0.501) 1.015 5.822 ( 1.614 -0.001 2.152) 2.690 5.854 ( -1.798 0.033 1.839) 2.572 5.933 ( 0.525 0.015 -1.727) 1.805 5.944 ( -0.642 -0.010 -1.300) 1.450 7.524 ( 1.525 0.040 -1.110) 1.887 7.557 ( -1.978 -0.116 -1.088) 2.260 8.297 ( -0.489 -0.103 0.017) 0.499 8.300 ( -0.647 -0.118 -0.147) 0.674 8.463 ( 1.728 -0.317 -0.053) 1.757 8.496 ( -1.574 0.206 0.169) 1.597 8.633 ( 0.329 0.770 -0.100) 0.844 8.646 ( -0.956 0.241 0.198) 1.006 ======================= Grid point 119 (49/100) ======================= q-point: ( 0.00 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.085 ( 0.000 -6.902 -0.000) 6.902 0.175 ( 0.000 -15.127 -0.000) 15.127 0.266 ( 0.000 -22.274 -0.000) 22.274 0.922 ( 0.000 4.108 0.000) 4.108 1.091 ( 0.000 -0.746 -0.000) 0.746 1.253 ( 0.000 -0.955 -0.000) 0.955 1.331 ( 0.000 6.654 0.000) 6.654 1.448 ( 0.000 -0.021 -0.000) 0.021 1.605 ( 0.000 -2.770 -0.000) 2.770 1.765 ( 0.000 0.550 0.000) 0.550 1.824 ( 0.000 -4.849 -0.000) 4.849 1.920 ( 0.000 -0.728 -0.000) 0.728 2.072 ( 0.000 5.024 0.000) 5.024 2.092 ( 0.000 0.313 0.000) 0.313 2.144 ( 0.000 -1.547 -0.000) 1.547 2.233 ( 0.000 0.101 0.000) 0.101 2.362 ( 0.000 1.901 0.000) 1.901 2.455 ( 0.000 0.014 0.000) 0.014 2.479 ( 0.000 0.537 0.000) 0.537 2.846 ( 0.000 -0.033 -0.000) 0.033 3.295 ( 0.000 0.171 0.000) 0.171 3.476 ( 0.000 0.358 0.000) 0.358 3.631 ( 0.000 0.005 0.000) 0.005 4.033 ( 0.000 -0.604 -0.000) 0.604 4.177 ( 0.000 0.108 0.000) 0.108 4.293 ( 0.000 0.086 0.000) 0.086 4.379 ( 0.000 -0.044 -0.000) 0.044 4.621 ( 0.000 -0.044 -0.000) 0.044 4.677 ( 0.000 0.038 0.000) 0.038 4.843 ( 0.000 0.042 0.000) 0.042 5.051 ( 0.000 -0.309 -0.000) 0.309 5.221 ( 0.000 0.120 0.000) 0.120 5.415 ( 0.000 -0.001 -0.000) 0.001 5.446 ( 0.000 -0.060 -0.000) 0.060 5.565 ( 0.000 -0.037 -0.000) 0.037 5.676 ( 0.000 0.008 0.000) 0.008 5.793 ( 0.000 0.066 0.000) 0.066 5.901 ( 0.000 0.094 0.000) 0.094 5.925 ( 0.000 -0.100 -0.000) 0.100 5.960 ( 0.000 -0.017 -0.000) 0.017 7.475 ( 0.000 0.079 0.000) 0.079 7.628 ( 0.000 -0.156 -0.000) 0.156 8.349 ( 0.000 -0.095 -0.000) 0.095 8.382 ( 0.000 -0.570 -0.000) 0.570 8.401 ( 0.000 0.068 0.000) 0.068 8.486 ( 0.000 0.441 0.000) 0.441 8.605 ( 0.000 -0.520 -0.000) 0.520 8.756 ( 0.000 0.359 0.000) 0.359 ======================= Grid point 120 (50/100) ======================= q-point: ( 0.14 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( 6.155 -12.717 -0.000) 14.128 0.298 ( 9.847 -8.562 -0.000) 13.049 0.492 ( 20.637 -2.541 -0.000) 20.793 1.000 ( 7.330 3.026 0.000) 7.930 1.146 ( 4.328 -1.366 -0.000) 4.538 1.302 ( -2.155 4.703 0.000) 5.173 1.450 ( 3.999 7.260 0.000) 8.288 1.459 ( 3.288 4.854 0.000) 5.863 1.591 ( -1.384 -2.237 -0.000) 2.630 1.751 ( -1.135 0.929 0.000) 1.467 1.817 ( -0.692 -3.738 -0.000) 3.802 1.915 ( -2.205 -3.063 -0.000) 3.774 1.965 ( -3.065 -3.974 -0.000) 5.019 2.055 ( -2.562 -0.856 -0.000) 2.702 2.157 ( 2.104 0.449 0.000) 2.151 2.226 ( -0.843 -0.391 -0.000) 0.929 2.330 ( 0.190 -0.063 -0.000) 0.201 2.400 ( -2.341 0.421 0.000) 2.378 2.564 ( 5.676 0.451 0.000) 5.694 2.849 ( 0.227 -0.053 -0.000) 0.233 3.292 ( 0.702 -0.625 -0.000) 0.939 3.464 ( -1.191 0.363 0.000) 1.245 3.677 ( 3.998 0.486 0.000) 4.027 4.028 ( -0.177 -0.163 -0.000) 0.241 4.152 ( -2.570 -0.019 -0.000) 2.570 4.243 ( -3.643 -0.060 -0.000) 3.644 4.422 ( 3.256 -0.131 -0.000) 3.259 4.613 ( -0.781 0.004 0.000) 0.781 4.672 ( -0.398 0.011 0.000) 0.398 4.822 ( -2.114 -0.017 -0.000) 2.114 5.065 ( 1.291 -0.239 -0.000) 1.313 5.214 ( -0.682 0.063 0.000) 0.685 5.412 ( -0.321 -0.019 -0.000) 0.321 5.440 ( -0.529 -0.052 -0.000) 0.531 5.576 ( 0.984 0.000 0.000) 0.984 5.671 ( -0.538 0.009 0.000) 0.538 5.798 ( 0.840 -0.115 -0.000) 0.848 5.900 ( 0.018 0.008 0.000) 0.019 5.918 ( -0.721 -0.081 -0.000) 0.725 5.964 ( -0.375 0.438 0.000) 0.576 7.478 ( 0.391 0.105 0.000) 0.405 7.614 ( -1.279 -0.275 -0.000) 1.308 8.338 ( -1.045 -0.080 -0.000) 1.048 8.341 ( -1.830 -1.137 -0.000) 2.155 8.399 ( 1.149 -0.931 -0.000) 1.479 8.553 ( 0.676 3.614 0.000) 3.677 8.610 ( 0.803 0.454 0.000) 0.923 8.698 ( -2.545 -2.872 -0.000) 3.837 ======================= Grid point 121 (51/100) ======================= q-point: ( 0.29 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 9.822 -5.891 -0.000) 11.454 0.517 ( 11.996 -2.783 -0.000) 12.315 0.770 ( 7.880 1.065 0.000) 7.951 1.155 ( -3.410 2.898 0.000) 4.475 1.212 ( 12.025 -0.543 -0.000) 12.037 1.306 ( 4.503 -1.500 -0.000) 4.746 1.466 ( 0.210 0.567 0.000) 0.604 1.501 ( 0.092 3.259 0.000) 3.260 1.562 ( -1.130 -0.776 -0.000) 1.371 1.733 ( -0.688 1.995 0.000) 2.110 1.803 ( -0.606 -1.697 -0.000) 1.802 1.879 ( -0.746 -2.623 -0.000) 2.727 1.942 ( -1.677 -0.023 -0.000) 1.678 2.010 ( -2.261 -1.160 -0.000) 2.541 2.187 ( 0.738 -0.205 -0.000) 0.766 2.205 ( -1.176 -1.110 -0.000) 1.617 2.351 ( 1.649 1.022 0.000) 1.941 2.379 ( -0.059 0.706 0.000) 0.709 2.672 ( 5.636 0.426 0.000) 5.652 2.849 ( -0.387 0.011 0.000) 0.387 3.317 ( 1.789 -0.150 -0.000) 1.795 3.435 ( -1.852 0.332 0.000) 1.881 3.774 ( 6.177 0.245 0.000) 6.182 4.028 ( 0.222 0.013 0.000) 0.222 4.089 ( -3.858 -0.118 -0.000) 3.860 4.170 ( -4.258 0.050 0.000) 4.259 4.481 ( 2.940 -0.112 -0.000) 2.943 4.593 ( -1.308 0.015 0.000) 1.309 4.667 ( 0.040 -0.021 -0.000) 0.045 4.772 ( -2.950 -0.097 -0.000) 2.952 5.095 ( 1.829 -0.127 -0.000) 1.833 5.196 ( -1.313 0.067 0.000) 1.315 5.406 ( -0.223 -0.031 -0.000) 0.225 5.428 ( -0.771 -0.038 -0.000) 0.772 5.599 ( 1.351 -0.024 -0.000) 1.351 5.658 ( -0.758 0.008 0.000) 0.758 5.821 ( 1.431 -0.019 -0.000) 1.431 5.900 ( -1.012 -0.002 -0.000) 1.012 5.903 ( 0.090 -0.015 -0.000) 0.092 5.949 ( -1.070 0.132 0.000) 1.078 7.490 ( 0.911 0.093 0.000) 0.916 7.583 ( -1.920 -0.185 -0.000) 1.929 8.314 ( -1.249 -0.388 -0.000) 1.308 8.315 ( -1.269 -0.049 -0.000) 1.270 8.426 ( 1.699 -0.606 -0.000) 1.804 8.536 ( -1.740 0.973 0.000) 1.994 8.625 ( 0.673 1.141 0.000) 1.325 8.666 ( -1.206 -1.166 -0.000) 1.677 ======================= Grid point 122 (52/100) ======================= q-point: ( 0.43 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 8.990 -1.220 -0.000) 9.073 0.686 ( 2.494 0.376 0.000) 2.522 0.853 ( 5.492 -0.515 -0.000) 5.516 1.015 ( -9.359 0.810 0.000) 9.394 1.371 ( 4.601 1.319 0.000) 4.787 1.427 ( 0.884 0.693 0.000) 1.123 1.462 ( 2.050 -2.742 -0.000) 3.424 1.494 ( -0.794 -2.955 -0.000) 3.060 1.600 ( 6.749 1.253 0.000) 6.864 1.711 ( -2.729 1.338 0.000) 3.039 1.800 ( 0.530 0.255 0.000) 0.589 1.844 ( -3.847 0.179 0.000) 3.851 1.925 ( 1.230 -0.049 -0.000) 1.231 1.966 ( -2.508 -0.950 -0.000) 2.682 2.187 ( -0.163 -1.456 -0.000) 1.465 2.191 ( -0.486 -1.500 -0.000) 1.577 2.379 ( 1.074 1.236 0.000) 1.637 2.385 ( 0.300 1.072 0.000) 1.114 2.767 ( 4.279 0.309 0.000) 4.290 2.827 ( -2.147 0.149 0.000) 2.152 3.355 ( 2.216 0.117 0.000) 2.219 3.397 ( -2.203 0.263 0.000) 2.219 3.897 ( 6.653 0.157 0.000) 6.655 4.008 ( -4.935 0.057 0.000) 4.935 4.043 ( 1.399 -0.118 -0.000) 1.404 4.090 ( -3.757 -0.068 -0.000) 3.758 4.530 ( 2.213 -0.067 -0.000) 2.214 4.565 ( -1.660 -0.014 -0.000) 1.660 4.680 ( 1.387 -0.074 -0.000) 1.389 4.718 ( -2.635 -0.115 -0.000) 2.638 5.131 ( 1.958 -0.036 -0.000) 1.959 5.166 ( -1.792 0.029 0.000) 1.793 5.406 ( 0.217 -0.030 -0.000) 0.219 5.414 ( -0.637 -0.029 -0.000) 0.638 5.623 ( 1.199 -0.017 -0.000) 1.199 5.643 ( -0.915 -0.002 -0.000) 0.915 5.849 ( 1.519 -0.004 -0.000) 1.519 5.876 ( -1.383 -0.016 -0.000) 1.383 5.911 ( 0.686 0.017 0.000) 0.687 5.928 ( -1.118 0.035 0.000) 1.118 7.513 ( 1.504 0.023 0.000) 1.504 7.546 ( -1.945 -0.085 -0.000) 1.947 8.296 ( -0.505 -0.147 -0.000) 0.526 8.297 ( -0.562 -0.064 -0.000) 0.565 8.461 ( 1.968 -0.281 -0.000) 1.988 8.499 ( -2.072 0.152 0.000) 2.077 8.636 ( 0.557 0.743 0.000) 0.929 8.648 ( -0.757 0.003 0.000) 0.757 ======================= Grid point 140 (53/100) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 -0.000 3.800) 3.800 1.018 ( 0.000 0.000 -3.596) 3.596 1.051 ( 0.000 -0.000 2.655) 2.655 1.171 ( 0.000 -0.000 1.343) 1.343 1.189 ( 0.000 0.000 -0.074) 0.074 1.219 ( 0.000 0.000 -0.320) 0.320 1.272 ( 0.000 0.000 -0.574) 0.574 1.487 ( 0.000 -0.000 1.878) 1.878 1.656 ( 0.000 -0.000 0.551) 0.551 1.756 ( 0.000 0.000 -2.343) 2.343 1.765 ( 0.000 0.000 -0.294) 0.294 1.811 ( 0.000 -0.000 1.093) 1.093 1.930 ( 0.000 0.000 -2.740) 2.740 2.107 ( 0.000 0.000 -0.638) 0.638 2.323 ( 0.000 -0.000 1.083) 1.083 2.354 ( 0.000 -0.000 1.584) 1.584 2.443 ( 0.000 0.000 -0.385) 0.385 2.506 ( 0.000 -0.000 7.907) 7.907 2.589 ( 0.000 -0.000 7.235) 7.235 2.914 ( 0.000 0.000 -0.122) 0.122 3.226 ( 0.000 0.000 -5.826) 5.826 3.431 ( 0.000 0.000 -4.428) 4.428 3.600 ( 0.000 0.000 -0.454) 0.454 3.702 ( 0.000 -0.000 0.440) 0.440 3.978 ( 0.000 -0.000 0.732) 0.732 4.400 ( 0.000 0.000 -0.438) 0.438 4.436 ( 0.000 0.000 -0.960) 0.960 4.465 ( 0.000 -0.000 0.561) 0.561 4.851 ( 0.000 -0.000 0.027) 0.027 4.947 ( 0.000 -0.000 1.716) 1.716 5.222 ( 0.000 -0.000 0.674) 0.674 5.391 ( 0.000 0.000 -0.160) 0.160 5.425 ( 0.000 -0.000 2.227) 2.227 5.602 ( 0.000 0.000 -1.873) 1.873 5.619 ( 0.000 -0.000 1.384) 1.384 5.627 ( 0.000 -0.000 0.477) 0.477 5.712 ( 0.000 -0.000 0.235) 0.235 5.872 ( 0.000 0.000 -0.921) 0.921 5.915 ( 0.000 0.000 -0.358) 0.358 6.019 ( 0.000 -0.000 0.504) 0.504 7.594 ( 0.000 -0.000 0.664) 0.664 7.715 ( 0.000 -0.000 0.656) 0.656 8.317 ( 0.000 -0.000 0.088) 0.088 8.369 ( 0.000 0.000 -0.491) 0.491 8.440 ( 0.000 -0.000 0.632) 0.632 8.447 ( 0.000 0.000 -0.465) 0.465 8.667 ( 0.000 0.000 -1.004) 1.004 8.675 ( 0.000 -0.000 0.130) 0.130 ======================= Grid point 141 (54/100) ======================= q-point: ( 0.14 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 2.804 -0.000 2.475) 3.740 0.959 ( -3.321 0.000 -1.811) 3.783 1.111 ( 3.929 -0.000 0.935) 4.039 1.175 ( 0.891 0.000 -0.367) 0.963 1.246 ( 5.154 -0.000 0.591) 5.187 1.288 ( 5.487 -0.000 1.415) 5.666 1.313 ( 5.785 -0.000 0.396) 5.798 1.483 ( -0.408 -0.000 0.979) 1.061 1.639 ( -1.683 -0.000 0.238) 1.700 1.746 ( -0.608 0.000 -1.865) 1.962 1.754 ( -0.798 0.000 -0.395) 0.890 1.826 ( 1.121 -0.000 1.544) 1.908 1.961 ( 2.485 0.000 -3.206) 4.056 2.108 ( 0.290 0.000 -0.972) 1.014 2.312 ( -2.790 -0.000 0.098) 2.792 2.318 ( -0.684 -0.000 1.116) 1.309 2.469 ( 1.025 -0.000 6.923) 6.999 2.544 ( 4.266 -0.000 2.161) 4.782 2.583 ( -0.625 -0.000 7.233) 7.260 2.902 ( -1.255 0.000 -0.179) 1.268 3.229 ( 0.357 0.000 -5.812) 5.823 3.415 ( -1.610 0.000 -4.462) 4.743 3.617 ( 1.727 0.000 -0.347) 1.761 3.727 ( 2.373 -0.000 0.427) 2.411 3.973 ( -0.336 -0.000 0.588) 0.677 4.369 ( -3.167 0.000 -0.345) 3.186 4.433 ( -0.351 0.000 -0.823) 0.894 4.463 ( -0.292 -0.000 0.482) 0.564 4.859 ( 0.842 -0.000 0.080) 0.846 4.944 ( -0.307 -0.000 1.631) 1.660 5.220 ( -0.192 -0.000 0.648) 0.676 5.343 ( -3.135 -0.000 0.338) 3.153 5.473 ( 3.046 -0.000 2.018) 3.654 5.605 ( 0.300 0.000 -2.134) 2.155 5.611 ( -0.668 -0.000 1.416) 1.566 5.637 ( 0.805 -0.000 0.511) 0.954 5.710 ( -0.239 -0.000 0.231) 0.332 5.829 ( -3.200 0.000 -1.098) 3.383 5.946 ( 2.019 0.000 -0.219) 2.031 6.018 ( -0.138 -0.000 0.490) 0.509 7.595 ( 0.150 -0.000 0.674) 0.691 7.705 ( -0.999 -0.000 0.692) 1.215 8.311 ( -0.600 -0.000 0.074) 0.605 8.351 ( -1.639 0.000 -0.403) 1.688 8.445 ( 0.509 -0.000 0.566) 0.761 8.459 ( 0.954 0.000 -0.524) 1.088 8.658 ( -0.923 0.000 -0.829) 1.241 8.667 ( -0.841 -0.000 0.052) 0.843 ======================= Grid point 142 (55/100) ======================= q-point: ( 0.29 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -1.257 0.000 -2.146) 2.487 0.946 ( -0.639 0.000 -0.455) 0.785 1.187 ( 3.945 -0.000 1.175) 4.116 1.219 ( 3.175 0.000 -0.247) 3.185 1.340 ( 1.808 -0.000 2.641) 3.201 1.344 ( 4.406 -0.000 3.626) 5.706 1.478 ( 0.283 0.000 -2.231) 2.248 1.511 ( 11.025 -0.000 2.961) 11.416 1.607 ( -0.891 0.000 -1.262) 1.545 1.742 ( -0.435 0.000 -0.633) 0.768 1.743 ( 0.378 0.000 -1.816) 1.855 1.833 ( -0.661 -0.000 2.143) 2.242 2.000 ( 1.678 0.000 -3.426) 3.815 2.122 ( 1.049 0.000 -1.677) 1.978 2.273 ( -1.414 0.000 -0.204) 1.429 2.293 ( -2.063 -0.000 1.189) 2.381 2.485 ( 1.154 -0.000 9.355) 9.426 2.567 ( -1.142 -0.000 7.344) 7.432 2.641 ( 5.521 0.000 -0.067) 5.522 2.869 ( -2.275 0.000 -0.308) 2.296 3.242 ( 1.156 0.000 -5.661) 5.778 3.375 ( -2.590 0.000 -4.594) 5.274 3.660 ( 2.802 0.000 -0.112) 2.804 3.770 ( 1.457 -0.000 0.475) 1.533 3.981 ( 1.855 -0.000 0.189) 1.865 4.288 ( -5.400 0.000 -0.245) 5.405 4.426 ( -0.228 0.000 -0.486) 0.537 4.452 ( -0.787 -0.000 0.378) 0.873 4.879 ( 1.238 -0.000 0.265) 1.266 4.936 ( -0.599 -0.000 1.385) 1.509 5.218 ( 0.032 -0.000 0.566) 0.567 5.288 ( -2.607 -0.000 0.289) 2.623 5.524 ( 2.315 -0.000 2.805) 3.637 5.596 ( -0.896 -0.000 1.745) 1.962 5.616 ( 1.062 0.000 -2.762) 2.959 5.654 ( 1.023 -0.000 0.393) 1.096 5.703 ( -0.429 -0.000 0.209) 0.477 5.766 ( -3.412 0.000 -1.492) 3.724 5.978 ( 1.382 -0.000 0.031) 1.382 6.014 ( -0.245 -0.000 0.447) 0.510 7.602 ( 0.589 -0.000 0.706) 0.920 7.679 ( -1.648 -0.000 0.756) 1.814 8.297 ( -0.725 -0.000 0.024) 0.726 8.318 ( -1.687 0.000 -0.276) 1.710 8.457 ( 0.762 -0.000 0.395) 0.859 8.475 ( 0.623 0.000 -0.497) 0.797 8.638 ( -1.012 0.000 -0.508) 1.133 8.647 ( -1.098 0.000 -0.126) 1.105 ======================= Grid point 143 (56/100) ======================= q-point: ( 0.43 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.438 0.000 -2.451) 2.490 0.926 ( -1.206 0.000 -2.105) 2.426 1.249 ( 2.402 -0.000 0.902) 2.566 1.264 ( 1.041 -0.000 0.136) 1.050 1.365 ( 1.089 -0.000 4.623) 4.750 1.382 ( -0.217 -0.000 6.123) 6.127 1.509 ( 2.712 0.000 -3.830) 4.693 1.555 ( -1.926 0.000 -0.569) 2.008 1.704 ( 5.646 -0.000 1.202) 5.773 1.739 ( -0.011 0.000 -1.098) 1.098 1.757 ( 1.131 0.000 -1.778) 2.108 1.801 ( -2.617 -0.000 1.937) 3.256 2.049 ( 4.070 0.000 -3.079) 5.104 2.121 ( -2.137 0.000 -2.602) 3.367 2.253 ( -1.013 0.000 0.991) 1.417 2.253 ( -1.063 0.000 1.065) 1.505 2.513 ( 1.653 -0.000 8.592) 8.749 2.542 ( -1.430 -0.000 7.752) 7.883 2.739 ( 4.785 0.000 -0.387) 4.801 2.816 ( -3.450 0.000 -0.415) 3.475 3.274 ( 2.237 0.000 -5.290) 5.743 3.323 ( -2.839 0.000 -4.872) 5.639 3.716 ( 2.995 -0.000 0.143) 2.998 3.764 ( -1.838 -0.000 0.387) 1.878 4.055 ( 5.685 0.000 -0.092) 5.686 4.174 ( -6.568 0.000 -0.174) 6.570 4.427 ( 0.295 0.000 -0.105) 0.314 4.437 ( -0.771 -0.000 0.196) 0.796 4.902 ( 1.169 -0.000 0.599) 1.314 4.922 ( -0.893 -0.000 1.012) 1.350 5.224 ( 0.751 -0.000 0.438) 0.869 5.247 ( -1.718 -0.000 0.320) 1.747 5.558 ( 1.326 -0.000 2.899) 3.188 5.578 ( -0.990 -0.000 2.256) 2.463 5.647 ( 2.161 0.000 -2.580) 3.365 5.671 ( 0.512 -0.000 0.088) 0.519 5.694 ( -0.523 -0.000 0.069) 0.528 5.707 ( -2.681 0.000 -1.834) 3.249 5.998 ( 0.766 -0.000 0.231) 0.801 6.008 ( -0.402 -0.000 0.366) 0.544 7.619 ( 1.241 -0.000 0.751) 1.451 7.647 ( -1.713 -0.000 0.779) 1.882 8.288 ( -0.175 0.000 -0.060) 0.185 8.294 ( -0.842 0.000 -0.162) 0.857 8.471 ( 0.669 -0.000 0.123) 0.680 8.479 ( -0.149 0.000 -0.239) 0.282 8.626 ( -0.235 0.000 -0.341) 0.415 8.630 ( -0.653 0.000 -0.274) 0.708 ======================= Grid point 147 (57/100) ======================= q-point: ( 0.00 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 0.217 -3.938) 3.944 0.975 ( 0.000 0.674 -8.301) 8.328 1.014 ( 0.000 -0.040 3.258) 3.258 1.157 ( 0.000 -0.909 -2.282) 2.457 1.187 ( 0.000 0.804 -0.443) 0.918 1.232 ( 0.000 0.028 1.403) 1.403 1.317 ( 0.000 -1.154 5.174) 5.302 1.590 ( 0.000 -1.761 5.085) 5.381 1.656 ( 0.000 2.173 -0.592) 2.253 1.757 ( 0.000 -0.123 2.355) 2.358 1.765 ( 0.000 0.110 0.499) 0.511 1.839 ( 0.000 -1.080 2.056) 2.323 1.875 ( 0.000 0.795 -1.131) 1.382 2.090 ( 0.000 0.031 -1.200) 1.200 2.325 ( 0.000 -0.056 -0.939) 0.940 2.348 ( 0.000 -0.097 -1.403) 1.406 2.443 ( 0.000 0.022 0.454) 0.455 2.531 ( 0.000 -0.371 -6.852) 6.862 2.572 ( 0.000 0.427 -9.021) 9.031 2.913 ( 0.000 0.016 -0.026) 0.031 3.218 ( 0.000 0.097 5.210) 5.211 3.429 ( 0.000 -0.004 4.421) 4.421 3.604 ( 0.000 -0.030 0.773) 0.774 3.701 ( 0.000 0.011 -0.535) 0.535 3.980 ( 0.000 -0.020 -0.485) 0.485 4.397 ( 0.000 0.039 0.107) 0.114 4.435 ( 0.000 0.008 0.837) 0.837 4.465 ( 0.000 -0.008 -0.492) 0.492 4.850 ( 0.000 0.004 -0.061) 0.061 4.953 ( 0.000 -0.062 -1.181) 1.182 5.220 ( 0.000 0.028 -0.906) 0.907 5.391 ( 0.000 -0.000 0.162) 0.162 5.427 ( 0.000 -0.018 -2.064) 2.064 5.602 ( 0.000 -0.004 1.911) 1.911 5.621 ( 0.000 -0.010 -1.296) 1.296 5.627 ( 0.000 -0.002 -0.461) 0.461 5.712 ( 0.000 -0.001 -0.228) 0.228 5.869 ( 0.000 0.023 0.712) 0.712 5.915 ( 0.000 -0.004 0.395) 0.395 6.018 ( 0.000 0.008 -0.574) 0.574 7.589 ( 0.000 0.047 -1.158) 1.159 7.717 ( 0.000 -0.011 -0.462) 0.462 8.323 ( 0.000 -0.071 0.510) 0.515 8.366 ( 0.000 0.047 0.112) 0.122 8.441 ( 0.000 -0.021 -0.159) 0.160 8.447 ( 0.000 0.011 0.092) 0.093 8.659 ( 0.000 0.049 0.117) 0.127 8.679 ( 0.000 -0.006 0.271) 0.271 ======================= Grid point 148 (58/100) ======================= q-point: ( 0.14 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -1.186 -0.714 -2.837) 3.157 0.929 ( 0.886 1.305 -2.833) 3.243 1.089 ( 5.078 0.186 -1.464) 5.288 1.177 ( 0.909 -0.065 0.572) 1.076 1.222 ( 3.639 -0.280 -1.547) 3.964 1.292 ( 7.577 0.395 -1.381) 7.712 1.351 ( 3.390 -1.198 3.848) 5.266 1.577 ( -1.128 -2.488 4.906) 5.616 1.644 ( -1.020 3.170 0.194) 3.336 1.753 ( -0.451 -0.300 2.625) 2.680 1.765 ( 0.058 0.188 1.588) 1.600 1.861 ( 1.637 -0.145 2.280) 2.811 1.900 ( 2.279 -1.018 -1.641) 2.987 2.084 ( -0.542 0.989 -1.730) 2.065 2.295 ( -3.061 -1.486 -0.876) 3.514 2.325 ( -0.681 1.222 -1.002) 1.721 2.487 ( 2.111 -0.194 -3.639) 4.211 2.553 ( 2.828 -0.570 -4.079) 4.996 2.567 ( -0.151 0.710 -8.234) 8.266 2.901 ( -1.199 0.011 0.091) 1.202 3.222 ( 0.469 0.079 5.264) 5.285 3.414 ( -1.527 -0.008 4.519) 4.770 3.620 ( 1.652 -0.026 0.609) 1.761 3.725 ( 2.312 0.020 -0.590) 2.386 3.974 ( -0.417 -0.012 -0.423) 0.594 4.365 ( -3.202 0.045 -0.037) 3.202 4.432 ( -0.272 -0.016 0.777) 0.824 4.465 ( -0.190 -0.004 -0.299) 0.355 4.859 ( 0.848 0.001 -0.109) 0.855 4.949 ( -0.353 -0.055 -1.139) 1.194 5.218 ( -0.184 0.026 -0.873) 0.893 5.343 ( -3.156 -0.002 -0.308) 3.171 5.475 ( 3.054 -0.016 -1.905) 3.599 5.605 ( 0.271 -0.006 2.148) 2.165 5.612 ( -0.670 -0.002 -1.335) 1.494 5.637 ( 0.801 -0.004 -0.487) 0.937 5.710 ( -0.241 -0.000 -0.224) 0.329 5.828 ( -3.177 0.017 0.951) 3.316 5.946 ( 2.027 -0.001 0.224) 2.039 6.017 ( -0.125 0.006 -0.548) 0.562 7.591 ( 0.222 0.041 -1.106) 1.129 7.707 ( -0.974 -0.016 -0.470) 1.081 8.316 ( -0.679 -0.062 0.447) 0.815 8.348 ( -1.581 0.037 0.106) 1.585 8.450 ( 0.564 -0.213 -0.080) 0.608 8.453 ( 0.804 0.217 0.010) 0.833 8.651 ( -0.786 0.036 0.111) 0.795 8.669 ( -1.004 0.009 0.179) 1.020 ======================= Grid point 149 (59/100) ======================= q-point: ( 0.29 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.933 -0.685 -0.480) 1.253 0.941 ( -0.796 1.275 -0.613) 1.623 1.182 ( 4.554 -0.033 -1.344) 4.748 1.214 ( 2.942 0.144 -0.111) 2.947 1.299 ( 3.970 -0.151 -4.187) 5.772 1.371 ( 1.365 -0.541 -0.408) 1.524 1.517 ( 9.424 -1.656 0.052) 9.569 1.565 ( 1.506 -1.272 5.564) 5.903 1.631 ( 0.397 3.519 1.840) 3.991 1.749 ( 0.183 -1.018 2.882) 3.062 1.766 ( 0.079 0.803 2.840) 2.952 1.874 ( -0.470 -1.900 2.256) 2.986 1.942 ( 1.768 0.207 -1.571) 2.374 2.072 ( -0.784 1.450 -3.320) 3.707 2.254 ( -1.217 -1.931 -0.727) 2.396 2.306 ( -1.358 1.635 -0.750) 2.254 2.506 ( 0.594 -0.267 -7.153) 7.183 2.551 ( -0.925 0.171 -9.018) 9.067 2.644 ( 5.435 -0.005 0.055) 5.435 2.869 ( -2.188 -0.006 0.354) 2.217 3.238 ( 1.341 0.032 5.322) 5.489 3.376 ( -2.524 -0.012 4.751) 5.380 3.662 ( 2.692 -0.014 0.228) 2.702 3.767 ( 1.464 0.029 -0.691) 1.619 3.980 ( 1.725 0.010 -0.246) 1.742 4.283 ( -5.394 0.048 -0.160) 5.397 4.428 ( -0.132 -0.083 0.622) 0.642 4.456 ( -0.707 0.028 -0.039) 0.709 4.879 ( 1.268 -0.013 -0.259) 1.294 4.940 ( -0.674 -0.034 -1.006) 1.211 5.215 ( 0.049 0.023 -0.768) 0.770 5.288 ( -2.644 0.004 -0.319) 2.663 5.526 ( 2.324 -0.019 -2.709) 3.570 5.597 ( -0.888 -0.010 -1.674) 1.895 5.616 ( 1.028 0.010 2.758) 2.944 5.654 ( 1.003 -0.002 -0.382) 1.073 5.704 ( -0.427 -0.000 -0.199) 0.471 5.765 ( -3.384 0.012 1.390) 3.658 5.978 ( 1.394 -0.003 -0.001) 1.394 6.014 ( -0.225 0.003 -0.473) 0.523 7.599 ( 0.710 0.024 -0.967) 1.200 7.682 ( -1.658 -0.021 -0.514) 1.736 8.301 ( -0.846 -0.039 0.305) 0.900 8.316 ( -1.628 0.024 0.092) 1.631 8.461 ( 0.646 -0.182 0.065) 0.674 8.469 ( 0.729 0.201 -0.105) 0.764 8.634 ( -0.934 -0.009 0.059) 0.936 8.646 ( -1.289 0.065 -0.016) 1.290 ======================= Grid point 150 (60/100) ======================= q-point: ( 0.43 -0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 0.188 -1.985 0.920) 2.196 0.920 ( -0.947 2.617 0.363) 2.806 1.249 ( 2.335 -0.173 -0.563) 2.408 1.259 ( 1.277 0.097 -0.451) 1.358 1.355 ( 1.930 -0.481 -5.679) 6.017 1.378 ( -0.449 -0.356 -3.956) 3.998 1.550 ( 0.359 -3.157 5.034) 5.953 1.597 ( -0.431 3.991 4.827) 6.278 1.738 ( 4.006 -0.433 2.650) 4.822 1.758 ( 0.380 -0.917 3.310) 3.456 1.782 ( 3.553 0.610 2.784) 4.555 1.848 ( -2.157 -1.732 2.399) 3.662 1.975 ( 2.625 1.298 -3.450) 4.525 2.041 ( -2.974 0.690 -4.965) 5.828 2.240 ( -0.431 -3.309 -0.111) 3.339 2.284 ( -0.673 3.098 -0.366) 3.191 2.518 ( 0.681 -0.231 -8.052) 8.084 2.534 ( -0.794 0.193 -8.711) 8.749 2.742 ( 4.743 -0.045 0.545) 4.774 2.818 ( -3.372 -0.020 0.567) 3.420 3.273 ( 2.382 -0.050 5.241) 5.757 3.324 ( -2.866 0.027 5.015) 5.777 3.716 ( 2.898 -0.000 -0.193) 2.904 3.763 ( -1.784 0.027 -0.547) 1.866 4.052 ( 5.612 0.032 -0.179) 5.615 4.170 ( -6.536 0.045 -0.192) 6.539 4.429 ( 0.290 -0.276 0.415) 0.576 4.442 ( -0.697 0.196 0.197) 0.750 4.903 ( 1.216 -0.066 -0.504) 1.318 4.924 ( -0.958 0.024 -0.780) 1.236 5.223 ( 0.779 0.018 -0.600) 0.983 5.246 ( -1.755 0.013 -0.421) 1.805 5.559 ( 1.301 -0.025 -2.819) 3.105 5.580 ( -0.969 -0.004 -2.179) 2.384 5.646 ( 2.145 0.012 2.528) 3.315 5.670 ( 0.439 0.005 -0.096) 0.450 5.694 ( -0.511 -0.007 -0.031) 0.512 5.706 ( -2.602 0.009 1.777) 3.151 5.998 ( 0.762 -0.004 -0.195) 0.787 6.008 ( -0.384 -0.001 -0.354) 0.522 7.618 ( 1.368 0.002 -0.787) 1.578 7.649 ( -1.794 -0.016 -0.621) 1.898 8.289 ( -0.287 -0.014 0.170) 0.334 8.293 ( -0.762 0.010 0.101) 0.769 8.472 ( 0.382 -0.283 0.053) 0.478 8.477 ( 0.182 0.304 -0.012) 0.355 8.621 ( -0.314 -0.131 -0.066) 0.347 8.627 ( -0.672 0.205 -0.136) 0.715 ======================= Grid point 154 (61/100) ======================= q-point: ( 0.00 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.000 0.371 -8.917) 8.925 0.795 ( 0.000 1.430 -9.874) 9.977 1.071 ( 0.000 -0.929 -4.161) 4.263 1.112 ( 0.000 1.056 2.240) 2.476 1.194 ( 0.000 0.598 2.275) 2.353 1.271 ( 0.000 -0.530 2.704) 2.756 1.421 ( 0.000 -1.450 3.569) 3.852 1.575 ( 0.000 -3.481 0.014) 3.481 1.700 ( 0.000 1.507 1.030) 1.825 1.783 ( 0.000 -0.184 1.598) 1.608 1.838 ( 0.000 0.061 5.212) 5.212 1.841 ( 0.000 -2.256 -0.989) 2.463 1.908 ( 0.000 1.154 -1.656) 2.019 2.051 ( 0.000 -1.231 -1.068) 1.630 2.244 ( 0.000 1.109 -10.326) 10.385 2.292 ( 0.000 -0.107 -2.073) 2.076 2.331 ( 0.000 0.869 -11.793) 11.825 2.397 ( 0.000 0.729 -2.480) 2.585 2.457 ( 0.000 -0.003 0.720) 0.720 2.910 ( 0.000 0.065 -0.370) 0.376 3.334 ( 0.000 0.146 4.026) 4.028 3.530 ( 0.000 -0.037 3.726) 3.726 3.655 ( 0.000 0.047 5.496) 5.497 3.683 ( 0.000 0.046 -1.199) 1.200 3.973 ( 0.000 -0.238 0.432) 0.493 4.403 ( 0.000 0.168 0.279) 0.325 4.447 ( 0.000 -0.036 -1.325) 1.325 4.468 ( 0.000 0.060 2.371) 2.372 4.848 ( 0.000 0.020 -0.135) 0.136 4.901 ( 0.000 -0.259 -3.798) 3.806 5.189 ( 0.000 0.089 -2.175) 2.177 5.366 ( 0.000 -0.068 -3.617) 3.618 5.397 ( 0.000 -0.001 0.400) 0.400 5.576 ( 0.000 -0.015 -2.886) 2.886 5.611 ( 0.000 -0.012 -1.048) 1.048 5.656 ( 0.000 -0.032 3.117) 3.117 5.704 ( 0.000 -0.003 -0.582) 0.582 5.893 ( 0.000 0.101 1.383) 1.387 5.928 ( 0.000 -0.018 0.824) 0.824 5.997 ( 0.000 0.043 -1.538) 1.538 7.555 ( 0.000 0.206 -2.139) 2.149 7.698 ( 0.000 -0.079 -1.321) 1.323 8.334 ( 0.000 -0.370 0.774) 0.858 8.372 ( 0.000 0.253 0.284) 0.380 8.436 ( 0.000 -0.534 -0.384) 0.658 8.448 ( 0.000 0.476 0.136) 0.495 8.670 ( 0.000 0.013 0.762) 0.762 8.686 ( 0.000 0.301 0.437) 0.530 ======================= Grid point 155 (62/100) ======================= q-point: ( 0.14 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 1.851 0.434 -8.229) 8.445 0.826 ( 4.980 1.257 -7.559) 9.139 1.124 ( 3.637 -0.674 0.950) 3.819 1.156 ( 4.762 0.325 -0.846) 4.847 1.214 ( 1.982 0.778 0.845) 2.291 1.285 ( 2.566 -0.126 1.534) 2.993 1.421 ( 0.528 -1.294 2.471) 2.839 1.576 ( 0.102 -3.371 0.327) 3.388 1.691 ( -0.784 1.537 1.038) 2.013 1.792 ( 0.802 -1.200 1.455) 2.050 1.834 ( 0.215 -0.237 2.428) 2.449 1.874 ( 2.237 -2.262 0.723) 3.262 1.919 ( 1.043 0.954 0.101) 1.417 2.048 ( -0.335 0.858 -1.306) 1.598 2.228 ( -1.331 -0.398 -8.163) 8.280 2.286 ( -0.479 0.865 -5.137) 5.232 2.323 ( -1.535 -0.277 -6.437) 6.623 2.352 ( -1.640 1.504 -6.602) 6.967 2.537 ( 5.837 0.081 0.332) 5.847 2.902 ( -0.891 0.032 -0.163) 0.906 3.340 ( 0.672 0.133 4.211) 4.267 3.517 ( -1.271 -0.046 3.870) 4.074 3.665 ( 0.988 0.033 4.987) 5.084 3.707 ( 2.340 0.078 -1.066) 2.573 3.969 ( -0.257 -0.186 0.447) 0.548 4.365 ( -3.520 0.183 -0.215) 3.531 4.453 ( 0.180 -0.140 -0.582) 0.626 4.462 ( -0.480 0.084 2.028) 2.085 4.855 ( 0.605 0.009 -0.324) 0.686 4.900 ( -0.145 -0.234 -3.668) 3.678 5.188 ( -0.047 0.089 -2.076) 2.079 5.325 ( -2.790 -0.020 -1.630) 3.231 5.432 ( 2.209 -0.041 -1.747) 2.817 5.567 ( -0.883 -0.014 -2.895) 3.026 5.621 ( 0.900 -0.013 -1.048) 1.382 5.660 ( 0.445 -0.018 2.989) 3.022 5.702 ( -0.129 -0.006 -0.415) 0.435 5.858 ( -2.639 0.075 1.824) 3.209 5.953 ( 1.571 -0.007 0.379) 1.616 5.997 ( -0.041 0.036 -1.485) 1.486 7.558 ( 0.315 0.182 -2.098) 2.129 7.688 ( -1.044 -0.095 -1.370) 1.725 8.326 ( -0.830 -0.321 0.653) 1.104 8.354 ( -1.626 0.194 0.275) 1.661 8.443 ( 0.651 -0.579 -0.376) 0.949 8.458 ( 0.832 0.595 0.236) 1.050 8.661 ( -0.916 0.041 0.680) 1.141 8.674 ( -1.201 0.257 0.290) 1.262 ======================= Grid point 156 (63/100) ======================= q-point: ( 0.29 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 2.755 0.215 -5.036) 5.744 0.910 ( 3.074 0.966 -3.662) 4.878 1.184 ( 2.686 0.194 2.696) 3.810 1.213 ( 1.390 -0.255 -0.339) 1.453 1.255 ( 2.347 0.355 -0.338) 2.397 1.350 ( 0.849 -0.093 -0.111) 0.861 1.512 ( 10.285 -1.008 -1.242) 10.408 1.582 ( 0.740 -3.313 -0.166) 3.399 1.678 ( -0.356 1.770 0.695) 1.934 1.810 ( 1.150 -2.286 1.307) 2.873 1.844 ( 0.724 -0.195 2.692) 2.794 1.894 ( -0.428 -3.250 1.100) 3.458 1.945 ( 1.514 0.932 0.866) 1.978 2.027 ( -2.286 4.122 -2.063) 5.145 2.211 ( -0.485 -2.090 -4.487) 4.974 2.279 ( -0.278 1.459 -4.127) 4.386 2.295 ( -0.470 -0.490 -8.232) 8.260 2.331 ( -1.212 1.718 -8.797) 9.045 2.650 ( 5.975 0.023 0.454) 5.992 2.877 ( -1.842 -0.034 0.258) 1.860 3.360 ( 1.435 0.077 4.577) 4.797 3.484 ( -2.167 -0.059 4.183) 4.711 3.691 ( 1.766 0.017 3.740) 4.136 3.753 ( 1.839 0.099 -0.404) 1.886 3.978 ( 1.785 -0.039 0.288) 1.808 4.280 ( -5.502 0.191 -0.441) 5.523 4.447 ( -0.551 -0.333 1.059) 1.239 4.455 ( -0.348 0.124 0.426) 0.564 4.868 ( 0.764 -0.036 -0.899) 1.181 4.896 ( -0.243 -0.160 -3.262) 3.275 5.190 ( 0.321 0.084 -1.782) 1.812 5.274 ( -2.581 0.017 -1.085) 2.800 5.469 ( 1.726 -0.053 -2.651) 3.164 5.547 ( -1.222 -0.020 -3.020) 3.258 5.640 ( 1.136 -0.008 -0.937) 1.472 5.671 ( 0.567 0.016 1.914) 1.996 5.702 ( 0.194 -0.017 0.672) 0.699 5.806 ( -2.810 0.054 2.384) 3.685 5.977 ( 0.975 -0.019 -0.201) 0.996 5.996 ( -0.060 0.018 -1.329) 1.330 7.569 ( 0.867 0.114 -1.985) 2.169 7.661 ( -1.784 -0.110 -1.495) 2.330 8.308 ( -1.010 -0.208 0.437) 1.120 8.321 ( -1.676 0.121 0.247) 1.698 8.457 ( 0.827 -0.535 -0.184) 1.002 8.473 ( 0.692 0.608 0.244) 0.953 8.640 ( -1.202 0.056 0.431) 1.278 8.647 ( -1.427 0.278 0.062) 1.455 ======================= Grid point 157 (64/100) ======================= q-point: ( 0.43 -0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 2.243 -0.281 -1.016) 2.479 0.935 ( -0.070 1.043 -1.141) 1.547 1.215 ( 0.718 -0.760 -1.172) 1.571 1.236 ( 0.931 0.536 -0.911) 1.409 1.297 ( 2.162 0.437 -0.100) 2.208 1.335 ( -1.711 0.286 0.726) 1.881 1.586 ( 0.474 -3.306 0.242) 3.348 1.654 ( 0.561 0.448 -1.182) 1.383 1.740 ( 8.343 -1.498 -2.053) 8.722 1.828 ( -0.323 -4.393 -1.469) 4.643 1.855 ( 0.286 -0.551 3.233) 3.292 1.876 ( -0.648 -0.515 5.606) 5.667 1.951 ( -1.567 1.676 -2.547) 3.428 1.979 ( -1.367 5.626 -0.498) 5.811 2.198 ( -0.762 -3.450 -3.240) 4.794 2.279 ( 0.234 1.903 -3.688) 4.156 2.302 ( 0.421 0.420 -8.452) 8.472 2.310 ( -0.709 1.175 -9.555) 9.653 2.753 ( 4.912 -0.053 0.594) 4.948 2.830 ( -3.240 -0.060 0.562) 3.289 3.394 ( 2.181 -0.028 4.743) 5.220 3.440 ( -2.504 -0.031 4.510) 5.159 3.728 ( 1.986 -0.003 2.271) 3.017 3.760 ( -0.981 0.105 0.957) 1.374 4.049 ( 5.492 0.108 -0.198) 5.497 4.165 ( -6.515 0.168 -0.431) 6.532 4.440 ( -0.227 -0.457 0.858) 0.999 4.449 ( -0.228 0.142 0.539) 0.602 4.881 ( 0.504 -0.171 -1.779) 1.857 4.891 ( -0.290 -0.005 -2.554) 2.571 5.203 ( 1.096 0.066 -1.377) 1.761 5.232 ( -1.949 0.055 -1.067) 2.223 5.497 ( 1.389 -0.056 -3.049) 3.351 5.523 ( -1.307 -0.023 -3.116) 3.379 5.660 ( 0.938 0.001 -0.794) 1.229 5.673 ( -0.367 0.024 -0.316) 0.484 5.718 ( 1.574 -0.005 2.724) 3.146 5.756 ( -2.444 0.026 2.812) 3.726 5.990 ( 0.426 -0.020 -0.693) 0.814 5.994 ( -0.137 -0.004 -1.067) 1.076 7.591 ( 1.548 0.017 -1.829) 2.396 7.625 ( -1.960 -0.072 -1.658) 2.568 8.293 ( -0.384 -0.087 0.274) 0.479 8.297 ( -0.752 0.051 0.244) 0.792 8.471 ( 0.493 -0.356 0.055) 0.611 8.481 ( 0.150 0.371 0.150) 0.427 8.622 ( -0.539 0.091 0.157) 0.568 8.627 ( -0.638 0.379 -0.029) 0.743 ======================= Grid point 161 (65/100) ======================= q-point: ( 0.00 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 -0.046 -11.068) 11.068 0.622 ( 0.000 -1.791 -7.144) 7.365 0.964 ( 0.000 0.888 -5.566) 5.636 1.111 ( 0.000 1.801 -1.824) 2.564 1.267 ( 0.000 -2.347 2.998) 3.808 1.324 ( 0.000 2.615 -15.342) 15.564 1.345 ( 0.000 1.070 4.597) 4.720 1.565 ( 0.000 -5.478 -7.818) 9.546 1.652 ( 0.000 -3.483 -2.267) 4.156 1.749 ( 0.000 -2.725 -1.239) 2.993 1.829 ( 0.000 -0.725 3.412) 3.488 1.835 ( 0.000 -1.482 1.789) 2.324 1.948 ( 0.000 0.269 5.492) 5.499 2.032 ( 0.000 -0.953 -5.232) 5.318 2.126 ( 0.000 4.048 -1.952) 4.494 2.223 ( 0.000 3.745 0.780) 3.826 2.253 ( 0.000 -0.055 -1.563) 1.564 2.407 ( 0.000 0.456 1.637) 1.699 2.466 ( 0.000 -0.014 0.106) 0.107 2.895 ( 0.000 0.061 -1.287) 1.289 3.352 ( 0.000 -0.235 -1.268) 1.289 3.546 ( 0.000 0.250 -1.715) 1.733 3.658 ( 0.000 0.057 -1.239) 1.240 3.822 ( 0.000 0.297 10.328) 10.333 3.999 ( 0.000 -0.655 2.117) 2.216 4.402 ( 0.000 0.210 -0.737) 0.767 4.417 ( 0.000 -0.062 -1.539) 1.540 4.526 ( 0.000 0.068 3.401) 3.402 4.809 ( 0.000 -0.320 -5.093) 5.103 4.846 ( 0.000 0.043 -0.159) 0.165 5.139 ( 0.000 -0.005 -2.829) 2.829 5.295 ( 0.000 -0.055 -3.339) 3.339 5.405 ( 0.000 -0.003 0.435) 0.435 5.518 ( 0.000 0.122 -2.880) 2.883 5.589 ( 0.000 -0.032 -1.039) 1.039 5.691 ( 0.000 0.001 -0.652) 0.652 5.716 ( 0.000 -0.080 2.926) 2.927 5.918 ( 0.000 0.183 0.938) 0.956 5.944 ( 0.000 -0.027 0.756) 0.757 5.961 ( 0.000 0.093 -2.118) 2.120 7.514 ( 0.000 0.252 -1.986) 2.002 7.668 ( 0.000 -0.177 -1.508) 1.518 8.348 ( 0.000 -0.730 0.876) 1.140 8.377 ( 0.000 0.545 0.003) 0.545 8.421 ( 0.000 -0.908 -0.667) 1.127 8.458 ( 0.000 0.781 0.373) 0.866 8.672 ( 0.000 -0.344 -0.454) 0.569 8.710 ( 0.000 1.206 1.332) 1.797 ======================= Grid point 162 (66/100) ======================= q-point: ( 0.14 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 2.448 -1.660 -7.488) 8.050 0.670 ( 8.597 0.599 -8.528) 12.124 1.039 ( 7.050 -0.167 -5.591) 9.000 1.158 ( 4.518 1.886 -1.880) 5.244 1.281 ( 1.381 -1.342 3.190) 3.727 1.339 ( 1.446 1.690 -6.720) 7.078 1.351 ( 1.198 1.767 -1.430) 2.570 1.566 ( -0.252 -4.901 -4.966) 6.982 1.631 ( -1.712 -2.709 -5.511) 6.375 1.748 ( 0.038 -2.995 -2.080) 3.647 1.814 ( -0.647 -1.945 2.600) 3.311 1.857 ( 1.053 -0.277 1.714) 2.031 1.968 ( 1.136 -0.016 3.197) 3.393 2.030 ( 0.427 -1.933 -4.205) 4.648 2.134 ( 0.737 3.692 0.521) 3.801 2.193 ( -1.765 3.581 -1.475) 4.256 2.272 ( 0.657 0.467 -0.399) 0.899 2.347 ( -3.541 0.403 1.507) 3.869 2.546 ( 5.797 0.262 0.331) 5.813 2.890 ( -0.475 0.012 -1.046) 1.148 3.360 ( 0.841 -0.192 -1.327) 1.583 3.534 ( -1.184 0.222 -1.760) 2.133 3.689 ( 3.086 0.108 -0.788) 3.187 3.822 ( -0.062 0.257 9.828) 9.832 3.995 ( -0.387 -0.568 2.008) 2.122 4.351 ( -3.892 0.207 -1.478) 4.168 4.440 ( 0.989 -0.100 -0.481) 1.104 4.517 ( -0.960 0.044 3.256) 3.395 4.810 ( 0.111 -0.298 -5.024) 5.034 4.846 ( -0.023 0.024 -0.603) 0.603 5.141 ( 0.263 0.014 -2.621) 2.634 5.280 ( -1.523 -0.025 -2.682) 3.085 5.413 ( 0.710 -0.032 -0.314) 0.777 5.509 ( -0.874 0.078 -2.823) 2.957 5.599 ( 0.956 -0.027 -1.029) 1.405 5.685 ( -0.547 0.007 -0.484) 0.731 5.725 ( 0.847 -0.068 2.724) 2.854 5.893 ( -1.986 0.152 1.534) 2.514 5.958 ( 0.821 -0.026 0.083) 0.825 5.961 ( 0.081 0.082 -2.033) 2.036 7.518 ( 0.360 0.231 -1.967) 2.013 7.657 ( -1.158 -0.193 -1.561) 1.953 8.337 ( -1.065 -0.594 0.659) 1.386 8.358 ( -1.673 0.344 -0.028) 1.709 8.430 ( 0.885 -0.926 -0.448) 1.357 8.469 ( 0.964 0.985 0.472) 1.457 8.662 ( -1.008 -0.158 -0.503) 1.137 8.693 ( -1.615 0.843 1.110) 2.133 ======================= Grid point 163 (67/100) ======================= q-point: ( 0.29 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 4.797 -1.388 -7.693) 9.172 0.812 ( 5.377 0.963 -6.406) 8.419 1.161 ( 4.646 -1.638 -4.420) 6.619 1.248 ( 4.075 1.570 -0.410) 4.386 1.301 ( 0.156 0.023 4.156) 4.159 1.375 ( 2.685 0.941 1.917) 3.430 1.424 ( 5.532 1.737 -7.692) 9.633 1.545 ( -0.776 -2.529 -1.790) 3.194 1.615 ( 0.157 -1.176 -9.789) 9.861 1.751 ( 0.056 -2.879 -4.189) 5.083 1.804 ( -0.129 -2.760 1.100) 2.974 1.873 ( 1.036 -1.097 0.559) 1.609 1.966 ( -0.943 -0.348 -2.095) 2.324 2.059 ( 1.789 -2.221 2.313) 3.672 2.125 ( -2.171 2.573 0.070) 3.368 2.190 ( 1.098 3.017 -1.261) 3.449 2.258 ( -1.608 0.293 0.628) 1.751 2.310 ( -0.421 1.682 1.237) 2.130 2.659 ( 5.981 0.268 0.271) 5.993 2.874 ( -1.349 -0.056 -0.516) 1.446 3.384 ( 1.655 -0.081 -1.393) 2.165 3.504 ( -1.961 0.171 -1.718) 2.613 3.759 ( 3.788 0.066 0.738) 3.860 3.821 ( 0.053 0.169 8.395) 8.397 3.995 ( 0.909 -0.293 1.433) 1.722 4.263 ( -5.483 0.243 -1.525) 5.696 4.452 ( 0.371 -0.221 0.436) 0.614 4.495 ( -1.272 -0.025 2.813) 3.088 4.814 ( 0.329 -0.247 -4.719) 4.737 4.843 ( -0.311 -0.021 -1.734) 1.762 5.151 ( 0.825 0.047 -2.114) 2.270 5.245 ( -2.080 0.023 -1.843) 2.780 5.428 ( 0.876 -0.062 -1.390) 1.644 5.488 ( -1.201 0.014 -2.701) 2.956 5.621 ( 1.259 -0.019 -0.957) 1.582 5.674 ( -0.632 0.018 -0.593) 0.867 5.745 ( 1.288 -0.039 2.745) 3.032 5.852 ( -2.305 0.106 2.118) 3.132 5.963 ( 0.164 0.040 -1.909) 1.916 5.969 ( 0.316 -0.036 -0.603) 0.682 7.529 ( 0.939 0.161 -1.917) 2.141 7.627 ( -1.926 -0.192 -1.674) 2.559 8.314 ( -1.195 -0.351 0.365) 1.298 8.325 ( -1.681 0.148 0.018) 1.688 8.450 ( 1.144 -0.818 -0.183) 1.419 8.485 ( 0.546 0.960 0.483) 1.205 8.639 ( -1.241 0.197 -0.485) 1.347 8.659 ( -1.766 0.439 0.733) 1.961 ======================= Grid point 164 (68/100) ======================= q-point: ( 0.43 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 4.703 -0.734 -7.081) 8.533 0.858 ( -0.494 0.264 -6.451) 6.475 1.217 ( 1.863 -1.655 -0.574) 2.557 1.280 ( -1.216 -0.055 2.444) 2.730 1.323 ( 3.624 0.903 2.287) 4.379 1.388 ( -2.435 0.595 3.680) 4.453 1.480 ( 2.787 1.277 -9.740) 10.211 1.546 ( -1.863 -1.535 -8.143) 8.493 1.672 ( 5.017 0.249 -4.621) 6.825 1.734 ( -1.902 -2.047 -4.446) 5.251 1.832 ( 2.625 -2.606 -1.306) 3.923 1.901 ( 1.926 -1.314 0.207) 2.341 1.943 ( -1.369 -1.199 -1.543) 2.386 2.048 ( -3.229 3.445 0.630) 4.764 2.097 ( 0.288 -3.935 0.140) 3.948 2.195 ( -0.356 0.982 0.783) 1.306 2.248 ( 0.206 1.601 1.236) 2.033 2.312 ( 0.296 2.861 0.875) 3.007 2.761 ( 4.830 0.100 0.180) 4.834 2.835 ( -2.938 -0.017 -0.054) 2.939 3.420 ( 2.208 0.026 -1.443) 2.637 3.464 ( -2.322 0.106 -1.572) 2.806 3.808 ( 1.094 -0.204 4.204) 4.349 3.825 ( 0.296 0.200 5.866) 5.877 4.045 ( 4.546 0.052 -0.150) 4.549 4.151 ( -6.196 0.214 -1.165) 6.308 4.458 ( 0.380 -0.283 1.412) 1.489 4.473 ( -0.872 -0.091 2.048) 2.228 4.822 ( 0.513 -0.202 -4.001) 4.038 4.834 ( -0.533 -0.061 -3.089) 3.135 5.172 ( 1.495 0.056 -1.637) 2.217 5.206 ( -1.980 0.065 -1.498) 2.484 5.445 ( 0.982 -0.065 -2.091) 2.311 5.466 ( -1.154 -0.022 -2.486) 2.741 5.643 ( 1.082 -0.004 -0.863) 1.384 5.661 ( -0.777 0.014 -0.756) 1.084 5.773 ( 1.717 -0.001 2.735) 3.229 5.810 ( -2.137 0.049 2.525) 3.309 5.967 ( 0.220 -0.003 -1.633) 1.648 5.971 ( -0.087 -0.029 -1.197) 1.200 7.553 ( 1.632 0.035 -1.856) 2.471 7.589 ( -2.072 -0.108 -1.779) 2.733 8.297 ( -0.501 -0.145 0.163) 0.546 8.301 ( -0.697 0.032 0.119) 0.708 8.470 ( 0.905 -0.434 0.060) 1.006 8.487 ( -0.279 0.355 0.222) 0.503 8.624 ( -0.228 0.464 -0.143) 0.536 8.632 ( -1.018 0.500 0.313) 1.177 ======================= Grid point 168 (69/100) ======================= q-point: ( 0.00 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 0.000 -1.706 -11.162) 11.292 0.496 ( 0.000 -10.669 -2.722) 11.011 0.873 ( 0.000 -6.682 -24.305) 25.207 0.883 ( 0.000 2.999 -3.433) 4.558 1.089 ( 0.000 2.020 -1.304) 2.404 1.286 ( 0.000 -3.297 0.985) 3.441 1.328 ( 0.000 5.490 -12.392) 13.554 1.421 ( 0.000 1.299 2.016) 2.398 1.649 ( 0.000 -3.349 1.728) 3.769 1.744 ( 0.000 -1.219 1.545) 1.968 1.899 ( 0.000 -1.237 3.647) 3.851 1.900 ( 0.000 -5.634 3.034) 6.400 1.959 ( 0.000 1.311 -0.421) 1.377 2.044 ( 0.000 0.516 3.731) 3.766 2.120 ( 0.000 2.681 0.281) 2.696 2.234 ( 0.000 0.081 -0.456) 0.463 2.298 ( 0.000 3.631 2.246) 4.270 2.445 ( 0.000 0.640 1.611) 1.734 2.461 ( 0.000 0.017 -0.476) 0.476 2.864 ( 0.000 -0.009 -1.531) 1.531 3.314 ( 0.000 -0.208 -1.891) 1.902 3.497 ( 0.000 0.522 -2.668) 2.719 3.638 ( 0.000 0.028 -0.747) 0.748 4.023 ( 0.000 -0.387 5.789) 5.802 4.042 ( 0.000 -0.200 5.834) 5.838 4.364 ( 0.000 0.096 -3.499) 3.501 4.390 ( 0.000 -0.070 -1.014) 1.017 4.591 ( 0.000 -0.033 2.813) 2.814 4.715 ( 0.000 -0.118 -3.755) 3.757 4.843 ( 0.000 0.061 -0.108) 0.124 5.084 ( 0.000 -0.287 -2.334) 2.352 5.241 ( 0.000 0.101 -2.086) 2.088 5.412 ( 0.000 -0.003 0.272) 0.272 5.470 ( 0.000 0.285 -2.002) 2.023 5.572 ( 0.000 -0.051 -0.616) 0.618 5.680 ( 0.000 0.008 -0.416) 0.416 5.767 ( 0.000 -0.046 2.171) 2.172 5.920 ( 0.000 0.093 -1.787) 1.789 5.930 ( 0.000 0.237 0.025) 0.239 5.956 ( 0.000 -0.028 0.419) 0.420 7.484 ( 0.000 0.166 -1.123) 1.136 7.641 ( 0.000 -0.259 -0.965) 0.999 8.355 ( 0.000 -0.491 0.045) 0.493 8.384 ( 0.000 0.259 0.725) 0.770 8.403 ( 0.000 -1.081 -0.498) 1.190 8.470 ( 0.000 0.897 0.302) 0.947 8.650 ( 0.000 0.088 -1.840) 1.842 8.740 ( 0.000 1.221 0.767) 1.442 ======================= Grid point 169 (70/100) ======================= q-point: ( 0.14 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( 2.372 -8.110 -3.869) 9.293 0.515 ( 12.078 -1.199 -5.921) 13.505 0.853 ( 1.496 -3.165 -18.845) 19.167 1.004 ( 9.745 0.525 -7.248) 12.156 1.159 ( 5.701 2.102 -1.945) 6.379 1.324 ( 3.063 -1.838 -0.048) 3.572 1.338 ( 1.509 3.948 -9.620) 10.508 1.428 ( 0.758 1.234 2.222) 2.652 1.626 ( -2.272 -2.837 2.187) 4.242 1.727 ( -1.567 -1.504 1.226) 2.494 1.873 ( -1.692 -2.210 0.564) 2.840 1.916 ( -0.857 -2.449 5.123) 5.742 1.936 ( -0.919 0.148 -0.756) 1.199 2.046 ( 0.320 -1.373 2.484) 2.856 2.145 ( 2.309 3.027 -0.589) 3.853 2.220 ( -1.226 0.935 1.319) 2.029 2.303 ( 0.505 2.217 1.291) 2.615 2.376 ( -3.252 0.176 1.149) 3.453 2.553 ( 5.783 0.608 0.142) 5.816 2.865 ( -0.033 -0.018 -1.315) 1.315 3.320 ( 0.698 -0.241 -1.989) 2.121 3.485 ( -1.201 0.481 -2.651) 2.950 3.676 ( 3.795 0.173 -0.562) 3.841 4.015 ( -0.853 -0.108 6.960) 7.012 4.030 ( -0.958 -0.441 3.823) 3.966 4.306 ( -4.087 0.127 -3.221) 5.205 4.431 ( 2.288 -0.107 -0.481) 2.341 4.581 ( -1.034 -0.021 2.906) 3.084 4.714 ( 0.009 -0.124 -3.979) 3.981 4.832 ( -1.175 0.003 -0.769) 1.405 5.092 ( 0.805 -0.222 -2.024) 2.189 5.232 ( -0.866 0.081 -1.903) 2.092 5.411 ( -0.090 -0.022 0.051) 0.106 5.462 ( -0.756 0.141 -1.878) 2.029 5.582 ( 0.989 -0.038 -0.609) 1.162 5.675 ( -0.533 0.012 -0.414) 0.675 5.775 ( 0.788 -0.059 2.145) 2.286 5.915 ( -1.077 0.136 0.284) 1.122 5.922 ( -0.068 0.129 -1.559) 1.565 5.958 ( 0.063 0.002 -0.007) 0.064 7.488 ( 0.377 0.165 -1.121) 1.194 7.629 ( -1.247 -0.274 -1.008) 1.627 8.342 ( -1.206 -0.459 0.116) 1.296 8.357 ( -1.947 -0.027 -0.102) 1.950 8.418 ( 1.147 -1.173 -0.057) 1.641 8.488 ( 1.318 1.492 0.770) 2.134 8.641 ( -0.801 0.198 -1.664) 1.858 8.715 ( -2.192 0.399 0.581) 2.302 ======================= Grid point 170 (71/100) ======================= q-point: ( 0.29 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 4.895 -4.991 -3.953) 8.031 0.688 ( 5.534 0.069 -6.408) 8.467 0.931 ( 5.752 -1.849 -16.044) 17.144 1.176 ( 3.756 2.614 -6.405) 7.872 1.262 ( 6.426 1.341 -4.206) 7.796 1.377 ( 2.888 -1.117 -5.799) 6.574 1.403 ( 5.319 0.826 1.497) 5.587 1.453 ( 2.185 0.491 2.756) 3.551 1.579 ( -2.047 -1.824 3.016) 4.076 1.694 ( -1.774 -2.037 0.276) 2.715 1.830 ( -2.492 1.275 -1.945) 3.409 1.895 ( -0.348 -2.979 3.352) 4.498 1.924 ( -0.946 -0.821 0.646) 1.410 2.047 ( -1.112 -2.455 -1.466) 3.068 2.166 ( -0.568 1.204 1.746) 2.195 2.221 ( 1.805 1.468 1.627) 2.839 2.312 ( 0.224 1.562 2.105) 2.631 2.336 ( -0.866 0.763 1.044) 1.557 2.663 ( 5.811 0.614 -0.022) 5.843 2.859 ( -0.773 0.011 -0.856) 1.153 3.342 ( 1.567 -0.086 -2.121) 2.638 3.456 ( -1.865 0.423 -2.577) 3.210 3.768 ( 5.680 0.201 0.133) 5.685 3.987 ( -2.014 0.055 7.694) 7.954 4.021 ( 0.179 -0.448 1.169) 1.265 4.220 ( -5.088 0.176 -2.893) 5.856 4.467 ( 1.676 -0.168 1.166) 2.048 4.556 ( -1.577 -0.027 3.084) 3.464 4.719 ( 0.514 -0.133 -4.362) 4.395 4.802 ( -1.861 -0.087 -2.180) 2.868 5.113 ( 1.422 -0.106 -1.482) 2.056 5.210 ( -1.504 0.071 -1.495) 2.122 5.411 ( 0.071 -0.050 -0.453) 0.461 5.445 ( -0.977 0.013 -1.616) 1.888 5.605 ( 1.331 -0.033 -0.580) 1.452 5.663 ( -0.727 0.014 -0.445) 0.853 5.795 ( 1.315 -0.036 2.181) 2.547 5.887 ( -1.732 0.089 1.314) 2.176 5.925 ( 0.298 0.062 -1.878) 1.903 5.955 ( -0.399 -0.005 -0.696) 0.802 7.500 ( 0.948 0.135 -1.107) 1.464 7.598 ( -1.991 -0.245 -1.062) 2.270 8.317 ( -1.323 -0.283 0.080) 1.355 8.323 ( -1.604 -0.110 -0.166) 1.617 8.442 ( 1.372 -1.025 -0.034) 1.712 8.503 ( 0.102 1.312 0.656) 1.470 8.626 ( -0.608 0.479 -0.997) 1.262 8.673 ( -2.065 0.053 0.454) 2.115 ======================= Grid point 171 (72/100) ======================= q-point: ( 0.43 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 5.368 -1.296 -4.610) 7.193 0.733 ( -0.829 0.613 -5.436) 5.532 1.040 ( 5.649 -1.909 -13.780) 15.015 1.151 ( -4.167 0.354 -12.689) 13.361 1.345 ( 2.624 0.587 0.893) 2.833 1.390 ( -0.996 1.534 -0.210) 1.841 1.486 ( 1.680 -2.311 4.185) 5.067 1.513 ( 1.132 0.812 3.517) 3.783 1.610 ( 5.823 0.245 -1.585) 6.040 1.667 ( -1.163 -1.657 -0.222) 2.036 1.797 ( -0.746 1.022 -2.954) 3.214 1.899 ( -0.261 -3.168 -0.705) 3.256 1.911 ( 0.678 -0.689 0.414) 1.051 1.989 ( -4.140 -1.254 -1.750) 4.667 2.161 ( 0.073 -0.943 3.350) 3.481 2.244 ( 0.378 -0.048 1.423) 1.473 2.315 ( 0.254 1.981 3.167) 3.744 2.338 ( 0.403 1.983 0.648) 2.125 2.762 ( 4.559 0.391 -0.184) 4.580 2.829 ( -2.508 0.155 -0.458) 2.554 3.377 ( 2.095 0.150 -2.274) 3.096 3.417 ( -2.177 0.324 -2.441) 3.287 3.872 ( 4.881 0.063 2.228) 5.366 3.944 ( -2.727 -0.032 5.312) 5.971 4.044 ( 2.601 -0.140 0.061) 2.605 4.121 ( -5.178 0.105 -1.900) 5.517 4.496 ( 1.478 -0.154 2.459) 2.873 4.525 ( -1.609 -0.082 3.022) 3.425 4.736 ( 1.311 -0.143 -4.286) 4.484 4.766 ( -1.868 -0.132 -3.512) 3.980 5.144 ( 1.770 -0.014 -1.162) 2.118 5.178 ( -1.816 0.048 -1.194) 2.174 5.415 ( 0.448 -0.051 -0.945) 1.047 5.428 ( -0.822 -0.030 -1.327) 1.561 5.629 ( 1.159 -0.019 -0.538) 1.278 5.648 ( -0.872 0.003 -0.495) 1.003 5.822 ( 1.591 -0.001 2.154) 2.678 5.854 ( -1.769 0.036 1.871) 2.575 5.933 ( 0.549 0.015 -1.736) 1.821 5.945 ( -0.646 -0.011 -1.331) 1.480 7.524 ( 1.618 0.031 -1.097) 1.955 7.559 ( -2.078 -0.125 -1.089) 2.349 8.298 ( -0.564 -0.139 0.021) 0.581 8.301 ( -0.629 -0.098 -0.089) 0.643 8.468 ( 1.358 -0.520 0.037) 1.454 8.493 ( -1.017 0.323 0.154) 1.078 8.624 ( 0.414 0.733 -0.183) 0.862 8.641 ( -1.328 0.494 0.245) 1.438 ======================= Grid point 175 (73/100) ======================= q-point: ( 0.00 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.156 ( 0.000 -5.124 -0.000) 5.124 0.347 ( 0.000 -14.399 -0.000) 14.399 0.513 ( 0.000 -19.831 -0.000) 19.831 0.871 ( 0.000 4.278 0.000) 4.278 1.087 ( 0.000 1.542 0.000) 1.542 1.232 ( 0.000 9.861 0.000) 9.861 1.276 ( 0.000 -2.956 -0.000) 2.956 1.445 ( 0.000 0.723 0.000) 0.723 1.647 ( 0.000 -4.273 -0.000) 4.273 1.763 ( 0.000 -0.200 -0.000) 0.200 1.885 ( 0.000 -5.233 -0.000) 5.233 1.932 ( 0.000 -1.238 -0.000) 1.238 2.002 ( 0.000 6.861 0.000) 6.861 2.087 ( 0.000 0.549 0.000) 0.549 2.158 ( 0.000 -1.075 -0.000) 1.075 2.231 ( 0.000 0.148 0.000) 0.148 2.331 ( 0.000 3.200 0.000) 3.200 2.455 ( 0.000 0.034 0.000) 0.034 2.470 ( 0.000 1.133 0.000) 1.133 2.847 ( 0.000 -0.053 -0.000) 0.053 3.293 ( 0.000 0.211 0.000) 0.211 3.471 ( 0.000 0.569 0.000) 0.569 3.631 ( 0.000 0.008 0.000) 0.008 4.043 ( 0.000 -0.945 -0.000) 0.945 4.175 ( 0.000 0.189 0.000) 0.189 4.292 ( 0.000 0.139 0.000) 0.139 4.379 ( 0.000 -0.068 -0.000) 0.068 4.622 ( 0.000 -0.068 -0.000) 0.068 4.676 ( 0.000 0.059 0.000) 0.059 4.842 ( 0.000 0.065 0.000) 0.065 5.056 ( 0.000 -0.483 -0.000) 0.483 5.219 ( 0.000 0.194 0.000) 0.194 5.415 ( 0.000 -0.002 -0.000) 0.002 5.447 ( 0.000 -0.093 -0.000) 0.093 5.566 ( 0.000 -0.056 -0.000) 0.056 5.676 ( 0.000 0.012 0.000) 0.012 5.792 ( 0.000 0.100 0.000) 0.100 5.900 ( 0.000 0.135 0.000) 0.135 5.927 ( 0.000 -0.142 -0.000) 0.142 5.960 ( 0.000 -0.027 -0.000) 0.027 7.474 ( 0.000 0.115 0.000) 0.115 7.630 ( 0.000 -0.233 -0.000) 0.233 8.350 ( 0.000 -0.147 -0.000) 0.147 8.391 ( 0.000 -1.023 -0.000) 1.023 8.400 ( 0.000 0.102 0.000) 0.102 8.478 ( 0.000 0.824 0.000) 0.824 8.613 ( 0.000 -0.852 -0.000) 0.852 8.751 ( 0.000 0.611 0.000) 0.611 ======================= Grid point 176 (74/100) ======================= q-point: ( 0.14 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 7.493 -10.578 -0.000) 12.963 0.412 ( 7.951 -7.805 -0.000) 11.142 0.552 ( 9.302 -8.407 -0.000) 12.538 0.965 ( 9.423 2.581 0.000) 9.770 1.146 ( 2.829 2.266 0.000) 3.625 1.241 ( 2.225 5.163 0.000) 5.622 1.358 ( 5.985 3.893 0.000) 7.139 1.453 ( 0.837 0.624 0.000) 1.044 1.627 ( -1.946 -3.820 -0.000) 4.287 1.748 ( -1.442 -0.251 -0.000) 1.463 1.855 ( -2.496 -2.545 -0.000) 3.565 1.943 ( -0.799 -2.130 -0.000) 2.275 1.962 ( -1.857 3.065 0.000) 3.584 2.079 ( -2.132 -2.385 -0.000) 3.199 2.152 ( 1.359 0.390 0.000) 1.414 2.231 ( -0.229 -0.462 -0.000) 0.516 2.320 ( -0.173 1.848 0.000) 1.856 2.393 ( -2.553 0.741 0.000) 2.658 2.558 ( 5.628 0.600 0.000) 5.660 2.850 ( 0.218 -0.028 -0.000) 0.220 3.297 ( 0.625 -0.198 -0.000) 0.655 3.459 ( -1.181 0.543 0.000) 1.300 3.672 ( 4.027 0.315 0.000) 4.039 4.034 ( -0.525 -0.759 -0.000) 0.923 4.151 ( -2.450 0.051 0.000) 2.450 4.243 ( -3.735 0.120 0.000) 3.737 4.424 ( 3.294 -0.132 -0.000) 3.296 4.613 ( -0.819 -0.041 -0.000) 0.820 4.672 ( -0.375 0.031 0.000) 0.377 4.822 ( -2.037 -0.023 -0.000) 2.037 5.068 ( 1.199 -0.382 -0.000) 1.258 5.213 ( -0.676 0.152 0.000) 0.693 5.412 ( -0.303 -0.018 -0.000) 0.304 5.441 ( -0.540 -0.080 -0.000) 0.546 5.576 ( 0.997 -0.033 -0.000) 0.998 5.671 ( -0.539 0.014 0.000) 0.539 5.799 ( 0.814 -0.022 -0.000) 0.814 5.899 ( 0.006 0.060 0.000) 0.060 5.920 ( -0.743 -0.114 -0.000) 0.752 5.960 ( -0.270 0.257 0.000) 0.373 7.477 ( 0.377 0.117 0.000) 0.395 7.617 ( -1.296 -0.306 -0.000) 1.332 8.339 ( -1.069 -0.118 -0.000) 1.075 8.353 ( -2.202 -0.841 -0.000) 2.358 8.412 ( 1.013 -1.257 -0.000) 1.614 8.515 ( 1.658 2.748 0.000) 3.210 8.612 ( -0.026 -0.455 -0.000) 0.456 8.718 ( -2.495 -0.738 -0.000) 2.602 ======================= Grid point 177 (75/100) ======================= q-point: ( 0.29 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 5.447 -7.820 -0.000) 9.530 0.560 ( 9.022 -4.338 -0.000) 10.010 0.755 ( 7.742 1.131 0.000) 7.824 1.108 ( -2.939 4.888 0.000) 5.704 1.215 ( 12.038 0.084 0.000) 12.038 1.332 ( 6.341 -2.497 -0.000) 6.815 1.439 ( 2.569 3.348 0.000) 4.220 1.477 ( 2.021 0.479 0.000) 2.077 1.586 ( -2.122 -3.281 -0.000) 3.907 1.720 ( -1.262 0.326 0.000) 1.303 1.808 ( -2.300 0.865 0.000) 2.457 1.911 ( -0.623 -0.466 -0.000) 0.778 1.934 ( -3.113 -0.758 -0.000) 3.204 2.033 ( -2.424 -2.425 -0.000) 3.428 2.190 ( 1.774 -0.243 -0.000) 1.791 2.222 ( -0.633 -1.664 -0.000) 1.780 2.333 ( 1.350 2.013 0.000) 2.424 2.367 ( -0.400 1.280 0.000) 1.341 2.666 ( 5.683 0.618 0.000) 5.716 2.849 ( -0.468 0.051 0.000) 0.471 3.318 ( 1.579 -0.064 -0.000) 1.580 3.430 ( -1.817 0.502 0.000) 1.885 3.770 ( 6.252 0.307 0.000) 6.259 4.030 ( 0.139 -0.323 -0.000) 0.351 4.090 ( -3.837 -0.113 -0.000) 3.839 4.169 ( -4.218 0.155 0.000) 4.221 4.483 ( 2.921 -0.159 -0.000) 2.926 4.593 ( -1.307 0.002 0.000) 1.307 4.668 ( 0.077 -0.027 -0.000) 0.082 4.774 ( -2.906 -0.147 -0.000) 2.909 5.097 ( 1.742 -0.206 -0.000) 1.754 5.195 ( -1.291 0.115 0.000) 1.296 5.406 ( -0.218 -0.043 -0.000) 0.222 5.428 ( -0.781 -0.058 -0.000) 0.783 5.599 ( 1.352 -0.039 -0.000) 1.353 5.658 ( -0.754 0.013 0.000) 0.754 5.821 ( 1.410 -0.015 -0.000) 1.410 5.900 ( -0.734 -0.027 -0.000) 0.734 5.903 ( -0.207 0.005 0.000) 0.207 5.948 ( -0.967 0.153 0.000) 0.979 7.489 ( 0.939 0.110 0.000) 0.945 7.586 ( -1.981 -0.261 -0.000) 1.998 8.316 ( -1.284 -0.073 -0.000) 1.286 8.319 ( -1.495 -0.497 -0.000) 1.575 8.436 ( 1.472 -1.024 -0.000) 1.793 8.520 ( -0.787 1.526 0.000) 1.717 8.615 ( 0.422 0.584 0.000) 0.720 8.676 ( -1.921 -0.499 -0.000) 1.985 ======================= Grid point 178 (76/100) ======================= q-point: ( 0.43 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 6.389 -1.760 -0.000) 6.627 0.679 ( 1.372 0.732 0.000) 1.555 0.863 ( 6.229 -1.167 -0.000) 6.338 1.002 ( -7.376 1.431 0.000) 7.514 1.358 ( 3.937 0.758 0.000) 4.009 1.407 ( -0.891 2.031 0.000) 2.218 1.512 ( 2.544 -4.442 -0.000) 5.119 1.538 ( 1.160 -4.874 -0.000) 5.010 1.582 ( 7.378 1.366 0.000) 7.503 1.697 ( -2.204 0.865 0.000) 2.368 1.781 ( 0.117 2.823 0.000) 2.826 1.844 ( -5.807 0.466 0.000) 5.825 1.928 ( 2.219 -0.764 -0.000) 2.347 1.981 ( -3.096 -1.560 -0.000) 3.467 2.208 ( 0.356 -2.018 -0.000) 2.050 2.213 ( -0.266 -2.243 -0.000) 2.259 2.359 ( 1.098 2.166 0.000) 2.428 2.368 ( 0.062 1.917 0.000) 1.918 2.762 ( 4.396 0.469 0.000) 4.421 2.825 ( -2.272 0.240 0.000) 2.285 3.353 ( 2.069 0.213 0.000) 2.080 3.393 ( -2.125 0.405 0.000) 2.164 3.895 ( 6.702 0.233 0.000) 6.706 4.007 ( -5.046 0.059 0.000) 5.046 4.045 ( 1.384 -0.232 -0.000) 1.403 4.091 ( -3.614 -0.100 -0.000) 3.616 4.531 ( 2.168 -0.100 -0.000) 2.170 4.566 ( -1.627 -0.023 -0.000) 1.627 4.681 ( 1.435 -0.112 -0.000) 1.439 4.720 ( -2.648 -0.178 -0.000) 2.654 5.131 ( 1.893 -0.059 -0.000) 1.894 5.166 ( -1.747 0.047 0.000) 1.748 5.406 ( 0.215 -0.046 -0.000) 0.219 5.414 ( -0.639 -0.045 -0.000) 0.641 5.623 ( 1.188 -0.026 -0.000) 1.188 5.643 ( -0.903 -0.003 -0.000) 0.903 5.849 ( 1.520 -0.006 -0.000) 1.520 5.876 ( -1.400 -0.025 -0.000) 1.400 5.910 ( 0.690 0.027 0.000) 0.690 5.927 ( -1.082 0.049 0.000) 1.083 7.513 ( 1.578 0.023 0.000) 1.578 7.547 ( -2.033 -0.128 -0.000) 2.037 8.298 ( -0.524 -0.091 -0.000) 0.532 8.299 ( -0.616 -0.218 -0.000) 0.654 8.465 ( 1.653 -0.506 -0.000) 1.729 8.496 ( -1.598 0.273 0.000) 1.622 8.627 ( 0.803 0.859 0.000) 1.176 8.646 ( -1.297 0.348 0.000) 1.343 ======================= Grid point 210 (77/100) ======================= q-point: ( 0.00 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 0.000 -8.900) 8.900 0.786 ( 0.000 0.000 -9.533) 9.533 1.080 ( 0.000 0.000 -5.444) 5.444 1.102 ( 0.000 -0.000 2.712) 2.712 1.190 ( 0.000 -0.000 3.042) 3.042 1.274 ( 0.000 -0.000 2.592) 2.592 1.429 ( 0.000 -0.000 2.629) 2.629 1.604 ( 0.000 0.000 -0.034) 0.034 1.683 ( 0.000 -0.000 1.871) 1.871 1.784 ( 0.000 -0.000 1.661) 1.661 1.838 ( 0.000 -0.000 5.191) 5.191 1.856 ( 0.000 0.000 -1.285) 1.285 1.899 ( 0.000 -0.000 0.689) 0.689 2.060 ( 0.000 0.000 -1.108) 1.108 2.237 ( 0.000 0.000 -11.750) 11.750 2.293 ( 0.000 0.000 -2.079) 2.079 2.326 ( 0.000 0.000 -12.572) 12.572 2.392 ( 0.000 0.000 -2.136) 2.136 2.457 ( 0.000 -0.000 0.727) 0.727 2.910 ( 0.000 0.000 -0.372) 0.372 3.333 ( 0.000 -0.000 4.123) 4.123 3.530 ( 0.000 -0.000 3.699) 3.699 3.655 ( 0.000 -0.000 5.409) 5.409 3.683 ( 0.000 0.000 -1.203) 1.203 3.975 ( 0.000 -0.000 0.523) 0.523 4.402 ( 0.000 -0.000 0.263) 0.263 4.447 ( 0.000 0.000 -1.320) 1.320 4.467 ( 0.000 -0.000 2.363) 2.363 4.848 ( 0.000 0.000 -0.139) 0.139 4.903 ( 0.000 0.000 -3.779) 3.779 5.188 ( 0.000 0.000 -2.166) 2.166 5.367 ( 0.000 0.000 -3.617) 3.617 5.397 ( 0.000 -0.000 0.400) 0.400 5.576 ( 0.000 0.000 -2.904) 2.904 5.611 ( 0.000 0.000 -1.045) 1.045 5.656 ( 0.000 -0.000 3.127) 3.127 5.704 ( 0.000 0.000 -0.582) 0.582 5.892 ( 0.000 -0.000 1.372) 1.372 5.928 ( 0.000 -0.000 0.826) 0.826 5.997 ( 0.000 0.000 -1.547) 1.547 7.554 ( 0.000 0.000 -2.150) 2.150 7.698 ( 0.000 0.000 -1.307) 1.307 8.337 ( 0.000 -0.000 0.850) 0.850 8.370 ( 0.000 -0.000 0.223) 0.223 8.442 ( 0.000 -0.000 0.154) 0.154 8.443 ( 0.000 0.000 -0.391) 0.391 8.670 ( 0.000 -0.000 1.004) 1.004 8.684 ( 0.000 -0.000 0.111) 0.111 ======================= Grid point 212 (78/100) ======================= q-point: ( 0.14 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 1.475 0.000 -8.265) 8.396 0.817 ( 5.452 0.000 -7.255) 9.075 1.130 ( 2.579 -0.000 3.312) 4.198 1.154 ( 6.128 0.000 -3.979) 7.307 1.209 ( 1.910 -0.000 1.363) 2.346 1.285 ( 2.277 -0.000 1.722) 2.855 1.429 ( 0.462 -0.000 1.664) 1.727 1.603 ( 0.033 0.000 -0.090) 0.096 1.674 ( -0.798 -0.000 2.120) 2.265 1.800 ( 1.454 -0.000 1.672) 2.216 1.833 ( -0.158 -0.000 3.150) 3.154 1.890 ( 2.691 -0.000 0.614) 2.761 1.913 ( 1.366 -0.000 0.736) 1.552 2.043 ( -1.814 0.000 -1.134) 2.139 2.232 ( -0.444 0.000 -9.432) 9.442 2.279 ( -0.960 0.000 -4.771) 4.867 2.329 ( -0.081 0.000 -9.931) 9.932 2.339 ( -2.997 0.000 -3.665) 4.734 2.537 ( 5.848 -0.000 0.321) 5.857 2.902 ( -0.872 0.000 -0.160) 0.886 3.339 ( 0.684 -0.000 4.291) 4.345 3.518 ( -1.267 -0.000 3.846) 4.049 3.665 ( 0.996 -0.000 4.915) 5.014 3.707 ( 2.324 0.000 -1.075) 2.561 3.971 ( -0.290 -0.000 0.528) 0.602 4.364 ( -3.527 0.000 -0.228) 3.534 4.454 ( 0.285 0.000 -0.725) 0.779 4.462 ( -0.539 -0.000 2.168) 2.234 4.854 ( 0.613 0.000 -0.325) 0.694 4.901 ( -0.161 0.000 -3.652) 3.656 5.188 ( -0.047 0.000 -2.070) 2.070 5.326 ( -2.802 0.000 -1.625) 3.239 5.432 ( 2.216 0.000 -1.751) 2.825 5.567 ( -0.883 0.000 -2.907) 3.038 5.621 ( 0.900 0.000 -1.047) 1.380 5.660 ( 0.436 -0.000 2.994) 3.025 5.702 ( -0.127 0.000 -0.411) 0.430 5.858 ( -2.633 -0.000 1.814) 3.198 5.953 ( 1.574 -0.000 0.381) 1.620 5.997 ( -0.037 0.000 -1.493) 1.493 7.557 ( 0.331 0.000 -2.109) 2.135 7.688 ( -1.035 0.000 -1.356) 1.706 8.328 ( -0.860 -0.000 0.717) 1.119 8.352 ( -1.600 -0.000 0.232) 1.617 8.449 ( 0.594 0.000 -0.254) 0.646 8.452 ( 0.857 -0.000 0.110) 0.864 8.661 ( -0.926 -0.000 0.875) 1.274 8.672 ( -1.187 -0.000 0.026) 1.187 ======================= Grid point 214 (79/100) ======================= q-point: ( 0.29 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 2.876 0.000 -4.939) 5.715 0.903 ( 3.158 0.000 -3.505) 4.718 1.183 ( 2.708 -0.000 2.683) 3.812 1.215 ( 1.154 -0.000 0.043) 1.155 1.252 ( 2.449 0.000 -0.739) 2.558 1.351 ( 0.918 0.000 -0.337) 0.978 1.517 ( 10.399 0.000 -1.834) 10.560 1.611 ( 1.132 0.000 -0.831) 1.404 1.658 ( -0.835 -0.000 2.006) 2.173 1.829 ( 1.530 -0.000 2.048) 2.556 1.838 ( 0.763 -0.000 3.092) 3.184 1.926 ( 0.720 -0.000 0.628) 0.955 1.935 ( 0.364 -0.000 1.437) 1.482 1.996 ( -3.039 0.000 -2.385) 3.863 2.227 ( 0.002 0.000 -3.777) 3.777 2.267 ( -0.401 0.000 -4.327) 4.345 2.304 ( -0.755 0.000 -8.476) 8.510 2.316 ( -1.164 0.000 -9.759) 9.828 2.650 ( 5.999 -0.000 0.421) 6.013 2.877 ( -1.823 -0.000 0.266) 1.842 3.359 ( 1.463 -0.000 4.614) 4.841 3.485 ( -2.166 -0.000 4.162) 4.692 3.691 ( 1.770 -0.000 3.708) 4.109 3.752 ( 1.842 0.000 -0.410) 1.887 3.979 ( 1.727 -0.000 0.334) 1.759 4.278 ( -5.499 0.000 -0.454) 5.518 4.450 ( -0.555 -0.000 1.666) 1.756 4.453 ( -0.298 0.000 -0.173) 0.344 4.868 ( 0.789 0.000 -0.886) 1.187 4.897 ( -0.277 0.000 -3.258) 3.270 5.189 ( 0.324 0.000 -1.780) 1.809 5.274 ( -2.593 0.000 -1.086) 2.811 5.469 ( 1.728 0.000 -2.650) 3.163 5.547 ( -1.220 0.000 -3.026) 3.262 5.641 ( 1.133 0.000 -0.935) 1.469 5.671 ( 0.557 -0.000 1.908) 1.988 5.702 ( 0.197 -0.000 0.683) 0.711 5.806 ( -2.801 -0.000 2.376) 3.673 5.977 ( 0.978 0.000 -0.196) 0.998 5.996 ( -0.053 0.000 -1.333) 1.334 7.568 ( 0.895 0.000 -1.995) 2.186 7.661 ( -1.786 0.000 -1.482) 2.320 8.309 ( -1.051 -0.000 0.478) 1.155 8.320 ( -1.654 -0.000 0.223) 1.669 8.463 ( 0.780 0.000 -0.015) 0.781 8.467 ( 0.741 -0.000 0.067) 0.744 8.640 ( -1.182 -0.000 0.552) 1.304 8.645 ( -1.480 0.000 -0.123) 1.485 ======================= Grid point 216 (80/100) ======================= q-point: ( 0.43 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 2.655 0.000 -1.344) 2.976 0.928 ( -0.420 0.000 -0.399) 0.580 1.223 ( 1.383 0.000 -0.522) 1.479 1.230 ( 0.434 0.000 -1.640) 1.696 1.295 ( 2.103 0.000 -0.205) 2.113 1.333 ( -1.884 -0.000 0.498) 1.949 1.617 ( 1.387 0.000 -1.176) 1.818 1.640 ( -1.136 -0.000 0.662) 1.315 1.750 ( 10.506 0.000 -2.162) 10.726 1.855 ( 1.068 -0.000 2.395) 2.622 1.858 ( 1.001 -0.000 2.609) 2.794 1.898 ( -4.972 -0.000 0.653) 5.015 1.924 ( -0.213 -0.000 0.867) 0.893 1.943 ( -2.113 0.000 -2.032) 2.931 2.232 ( 0.622 0.000 -2.049) 2.142 2.252 ( -1.306 0.000 -2.141) 2.508 2.301 ( 0.159 0.000 -10.139) 10.140 2.302 ( -0.067 0.000 -10.793) 10.793 2.754 ( 4.938 -0.000 0.573) 4.971 2.830 ( -3.247 -0.000 0.559) 3.295 3.394 ( 2.230 -0.000 4.727) 5.226 3.440 ( -2.537 -0.000 4.513) 5.177 3.728 ( 2.017 -0.000 2.304) 3.062 3.759 ( -1.012 -0.000 0.931) 1.375 4.048 ( 5.461 0.000 -0.192) 5.464 4.164 ( -6.503 0.000 -0.442) 6.518 4.444 ( -0.108 -0.000 1.024) 1.029 4.446 ( -0.329 -0.000 0.390) 0.510 4.882 ( 0.609 0.000 -1.725) 1.829 4.891 ( -0.398 0.000 -2.589) 2.619 5.202 ( 1.107 0.000 -1.376) 1.766 5.231 ( -1.964 0.000 -1.072) 2.238 5.498 ( 1.395 0.000 -3.047) 3.351 5.523 ( -1.311 0.000 -3.117) 3.382 5.660 ( 0.937 0.000 -0.793) 1.227 5.673 ( -0.365 0.000 -0.309) 0.478 5.718 ( 1.565 -0.000 2.720) 3.138 5.756 ( -2.435 -0.000 2.808) 3.717 5.990 ( 0.424 0.000 -0.689) 0.809 5.994 ( -0.131 0.000 -1.068) 1.076 7.591 ( 1.580 0.000 -1.833) 2.420 7.625 ( -1.982 0.000 -1.651) 2.579 8.294 ( -0.413 -0.000 0.302) 0.512 8.297 ( -0.733 -0.000 0.227) 0.767 8.475 ( 0.439 -0.000 0.124) 0.456 8.477 ( 0.228 -0.000 0.101) 0.249 8.622 ( -0.532 -0.000 0.154) 0.554 8.624 ( -0.683 0.000 -0.123) 0.694 ======================= Grid point 224 (81/100) ======================= q-point: ( 0.00 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 0.120 -10.793) 10.794 0.638 ( 0.000 -0.775 -4.390) 4.458 0.960 ( 0.000 0.002 -6.152) 6.152 1.093 ( 0.000 0.940 -1.974) 2.186 1.293 ( 0.000 -1.774 4.654) 4.981 1.299 ( 0.000 1.247 -15.283) 15.333 1.330 ( 0.000 1.285 3.160) 3.411 1.626 ( 0.000 -4.052 -9.274) 10.121 1.672 ( 0.000 0.165 -0.800) 0.817 1.778 ( 0.000 -2.028 -4.200) 4.664 1.835 ( 0.000 -0.290 3.653) 3.664 1.841 ( 0.000 0.244 3.688) 3.696 1.945 ( 0.000 0.117 5.384) 5.385 2.044 ( 0.000 -1.020 -5.392) 5.488 2.087 ( 0.000 2.391 -0.791) 2.518 2.189 ( 0.000 1.740 -0.402) 1.786 2.254 ( 0.000 -0.034 -1.611) 1.611 2.404 ( 0.000 0.169 1.935) 1.942 2.466 ( 0.000 0.001 0.095) 0.095 2.894 ( 0.000 0.023 -1.262) 1.262 3.354 ( 0.000 -0.042 -1.236) 1.236 3.544 ( 0.000 0.086 -1.832) 1.834 3.658 ( 0.000 0.023 -1.229) 1.229 3.820 ( 0.000 0.117 10.315) 10.315 4.005 ( 0.000 -0.261 2.198) 2.213 4.400 ( 0.000 0.086 -0.701) 0.707 4.417 ( 0.000 -0.024 -1.537) 1.537 4.526 ( 0.000 0.020 3.439) 3.439 4.812 ( 0.000 -0.124 -5.154) 5.156 4.845 ( 0.000 0.017 -0.165) 0.166 5.139 ( 0.000 -0.013 -2.726) 2.726 5.296 ( 0.000 -0.007 -3.397) 3.397 5.405 ( 0.000 -0.001 0.435) 0.435 5.517 ( 0.000 0.034 -2.936) 2.936 5.590 ( 0.000 -0.013 -1.032) 1.032 5.691 ( 0.000 0.000 -0.654) 0.654 5.717 ( 0.000 -0.025 2.921) 2.921 5.916 ( 0.000 0.063 0.936) 0.938 5.944 ( 0.000 -0.011 0.756) 0.756 5.960 ( 0.000 0.037 -2.132) 2.132 7.512 ( 0.000 0.091 -1.941) 1.943 7.669 ( 0.000 -0.060 -1.488) 1.489 8.355 ( 0.000 -0.410 1.070) 1.146 8.371 ( 0.000 0.334 -0.188) 0.384 8.431 ( 0.000 -0.717 -0.545) 0.901 8.449 ( 0.000 0.667 0.269) 0.719 8.677 ( 0.000 -0.412 -0.633) 0.755 8.698 ( 0.000 0.712 1.378) 1.551 ======================= Grid point 225 (82/100) ======================= q-point: ( 0.14 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 3.159 -1.098 -5.908) 6.789 0.662 ( 7.386 0.747 -7.810) 10.775 1.045 ( 8.155 -0.556 -6.128) 10.216 1.137 ( 4.183 1.171 -1.530) 4.606 1.298 ( 0.455 -1.201 4.594) 4.770 1.318 ( 2.180 1.204 -12.014) 12.269 1.336 ( 0.954 0.895 1.793) 2.219 1.619 ( -1.697 -3.655 -3.509) 5.343 1.646 ( -1.590 0.420 -6.274) 6.486 1.776 ( -0.163 -1.540 -3.924) 4.218 1.834 ( 0.007 -1.656 2.960) 3.392 1.854 ( 1.099 0.941 1.294) 1.941 1.966 ( 1.087 0.146 3.949) 4.098 2.056 ( 1.590 -2.444 -3.411) 4.487 2.094 ( 0.928 3.046 0.599) 3.240 2.159 ( -2.167 1.824 -2.118) 3.537 2.270 ( 0.825 0.053 -0.555) 0.996 2.343 ( -3.913 0.263 1.773) 4.304 2.544 ( 5.741 0.081 0.269) 5.747 2.890 ( -0.438 0.005 -1.030) 1.119 3.361 ( 0.816 -0.038 -1.285) 1.522 3.533 ( -1.167 0.078 -1.875) 2.210 3.688 ( 3.064 0.041 -0.799) 3.166 3.820 ( -0.031 0.104 9.820) 9.821 3.999 ( -0.464 -0.230 2.100) 2.163 4.349 ( -3.918 0.084 -1.436) 4.174 4.441 ( 1.050 -0.040 -0.500) 1.164 4.516 ( -0.941 0.013 3.283) 3.415 4.812 ( 0.094 -0.117 -5.084) 5.086 4.846 ( -0.007 0.009 -0.594) 0.594 5.141 ( 0.246 -0.003 -2.534) 2.546 5.280 ( -1.542 0.001 -2.719) 3.126 5.413 ( 0.729 -0.012 -0.323) 0.797 5.508 ( -0.847 0.022 -2.859) 2.982 5.599 ( 0.953 -0.011 -1.025) 1.400 5.685 ( -0.553 0.003 -0.486) 0.736 5.726 ( 0.840 -0.023 2.724) 2.851 5.892 ( -1.975 0.054 1.521) 2.493 5.958 ( 0.841 -0.014 0.118) 0.850 5.961 ( 0.082 0.036 -2.072) 2.074 7.516 ( 0.379 0.083 -1.930) 1.969 7.658 ( -1.147 -0.067 -1.544) 1.925 8.342 ( -1.183 -0.326 0.774) 1.451 8.354 ( -1.542 0.228 -0.110) 1.563 8.441 ( 0.921 -0.824 -0.249) 1.261 8.458 ( 0.828 0.842 0.249) 1.207 8.665 ( -1.212 -0.239 -0.665) 1.403 8.684 ( -1.321 0.490 1.217) 1.862 ======================= Grid point 226 (83/100) ======================= q-point: ( 0.29 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 4.504 -0.659 -6.620) 8.034 0.802 ( 5.618 0.560 -6.426) 8.553 1.184 ( 4.775 -2.011 -3.640) 6.332 1.225 ( 4.401 2.026 -0.905) 4.929 1.302 ( -0.128 -0.173 5.474) 5.478 1.365 ( 2.757 0.543 -0.437) 2.844 1.411 ( 6.250 0.588 -8.233) 10.354 1.570 ( -1.056 -1.305 -1.964) 2.584 1.623 ( -1.888 -0.212 -8.744) 8.948 1.770 ( -0.529 -0.663 -4.110) 4.197 1.839 ( 0.710 -2.797 0.974) 3.046 1.880 ( 1.610 0.448 -1.490) 2.239 1.969 ( -0.425 -0.311 0.463) 0.702 2.065 ( -2.093 0.817 5.312) 5.767 2.121 ( 1.661 -1.984 -2.834) 3.838 2.153 ( 2.066 3.147 -2.320) 4.422 2.265 ( -1.728 -1.392 1.109) 2.480 2.287 ( -1.349 2.143 1.394) 2.891 2.656 ( 6.022 0.087 0.163) 6.025 2.875 ( -1.336 -0.021 -0.529) 1.437 3.384 ( 1.612 -0.016 -1.371) 2.116 3.503 ( -1.938 0.063 -1.833) 2.668 3.758 ( 3.872 0.020 0.677) 3.931 3.820 ( 0.073 0.080 8.445) 8.445 3.998 ( 0.748 -0.128 1.541) 1.718 4.260 ( -5.485 0.097 -1.495) 5.686 4.454 ( 0.417 -0.091 0.389) 0.577 4.495 ( -1.241 -0.006 2.827) 3.087 4.816 ( 0.307 -0.100 -4.774) 4.785 4.843 ( -0.290 -0.007 -1.701) 1.725 5.150 ( 0.811 0.014 -2.057) 2.211 5.245 ( -2.099 0.016 -1.857) 2.802 5.429 ( 0.884 -0.025 -1.398) 1.654 5.488 ( -1.180 0.002 -2.714) 2.959 5.621 ( 1.254 -0.008 -0.952) 1.575 5.673 ( -0.634 0.007 -0.589) 0.866 5.746 ( 1.273 -0.014 2.744) 3.025 5.851 ( -2.280 0.040 2.111) 3.107 5.963 ( 0.181 0.015 -1.927) 1.936 5.969 ( 0.321 -0.014 -0.590) 0.672 7.528 ( 0.981 0.058 -1.900) 2.140 7.629 ( -1.941 -0.070 -1.666) 2.559 8.318 ( -1.309 -0.209 0.413) 1.388 8.323 ( -1.612 0.131 0.011) 1.617 8.460 ( 1.023 -0.881 0.042) 1.351 8.473 ( 0.713 0.929 0.242) 1.196 8.639 ( -1.415 0.004 -0.585) 1.531 8.655 ( -1.687 0.248 0.810) 1.888 ======================= Grid point 227 (84/100) ======================= q-point: ( 0.43 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 4.439 -0.372 -6.849) 8.171 0.854 ( -0.175 0.228 -6.479) 6.485 1.237 ( 1.872 -1.540 0.787) 2.548 1.275 ( -0.536 0.767 2.164) 2.358 1.314 ( 3.223 0.477 3.070) 4.476 1.380 ( -2.600 0.495 3.666) 4.522 1.475 ( 3.461 -0.081 -12.061) 12.548 1.557 ( -3.990 -0.364 -9.537) 10.345 1.669 ( 7.066 0.097 -4.706) 8.491 1.751 ( -1.906 -0.728 -4.757) 5.176 1.863 ( 1.845 -2.488 0.372) 3.120 1.906 ( 0.733 0.685 -1.369) 1.697 1.960 ( -0.519 -1.797 0.347) 1.902 2.006 ( -3.028 3.088 2.466) 4.978 2.144 ( 0.706 -3.386 -1.059) 3.617 2.179 ( 0.082 1.693 -0.041) 1.696 2.244 ( -0.013 -0.996 1.525) 1.821 2.275 ( -0.260 3.098 1.287) 3.365 2.761 ( 4.925 0.028 0.089) 4.926 2.835 ( -2.997 -0.005 -0.108) 2.999 3.420 ( 2.171 0.014 -1.484) 2.629 3.463 ( -2.292 0.041 -1.664) 2.833 3.811 ( 1.359 -0.219 3.853) 4.091 3.822 ( 0.104 0.224 6.267) 6.272 4.045 ( 4.428 0.011 -0.072) 4.428 4.149 ( -6.166 0.084 -1.135) 6.270 4.461 ( 0.442 -0.138 1.291) 1.372 4.474 ( -0.904 -0.006 2.105) 2.291 4.824 ( 0.529 -0.098 -4.074) 4.110 4.835 ( -0.551 -0.010 -3.018) 3.068 5.172 ( 1.506 0.018 -1.608) 2.203 5.205 ( -2.004 0.032 -1.491) 2.498 5.446 ( 0.988 -0.029 -2.098) 2.319 5.466 ( -1.153 -0.007 -2.490) 2.744 5.643 ( 1.076 -0.002 -0.859) 1.376 5.661 ( -0.773 0.006 -0.750) 1.077 5.774 ( 1.699 -0.000 2.735) 3.220 5.809 ( -2.115 0.019 2.523) 3.293 5.967 ( 0.240 -0.002 -1.642) 1.659 5.971 ( -0.098 -0.011 -1.195) 1.199 7.553 ( 1.696 0.012 -1.855) 2.513 7.590 ( -2.126 -0.041 -1.780) 2.773 8.299 ( -0.567 -0.132 0.187) 0.612 8.301 ( -0.655 0.089 0.127) 0.674 8.476 ( 0.575 -0.539 0.157) 0.804 8.482 ( 0.159 0.492 0.189) 0.550 8.620 ( -0.346 0.163 -0.237) 0.450 8.628 ( -1.045 0.231 0.293) 1.109 ======================= Grid point 231 (85/100) ======================= q-point: ( 0.00 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 0.000 -0.625 -10.230) 10.249 0.612 ( 0.000 -8.628 2.808) 9.074 0.859 ( 0.000 1.186 -3.978) 4.151 0.913 ( 0.000 -0.041 -20.191) 20.191 1.065 ( 0.000 1.807 -1.472) 2.331 1.294 ( 0.000 0.353 -17.211) 17.215 1.327 ( 0.000 -3.608 1.330) 3.845 1.400 ( 0.000 2.372 1.895) 3.036 1.675 ( 0.000 -0.966 1.917) 2.147 1.761 ( 0.000 -1.570 1.124) 1.931 1.912 ( 0.000 -0.868 3.779) 3.877 1.922 ( 0.000 2.183 -1.903) 2.896 1.978 ( 0.000 -5.347 0.620) 5.383 2.039 ( 0.000 0.391 3.629) 3.650 2.091 ( 0.000 2.740 3.275) 4.270 2.233 ( 0.000 0.039 -0.519) 0.520 2.252 ( 0.000 3.500 2.568) 4.340 2.440 ( 0.000 0.232 1.194) 1.217 2.461 ( 0.000 0.023 -0.497) 0.497 2.865 ( 0.000 -0.008 -1.492) 1.492 3.315 ( 0.000 0.019 -2.104) 2.104 3.492 ( 0.000 0.321 -2.745) 2.764 3.638 ( 0.000 0.019 -0.729) 0.729 4.027 ( 0.000 -0.207 8.951) 8.954 4.044 ( 0.000 -0.191 2.783) 2.789 4.363 ( 0.000 0.083 -3.454) 3.455 4.391 ( 0.000 -0.046 -1.016) 1.017 4.592 ( 0.000 -0.029 2.857) 2.857 4.716 ( 0.000 -0.075 -3.900) 3.901 4.842 ( 0.000 0.040 -0.112) 0.119 5.088 ( 0.000 -0.223 -2.176) 2.188 5.239 ( 0.000 0.110 -2.189) 2.191 5.413 ( 0.000 -0.002 0.271) 0.271 5.468 ( 0.000 0.078 -1.905) 1.907 5.573 ( 0.000 -0.033 -0.611) 0.611 5.680 ( 0.000 0.005 -0.419) 0.419 5.767 ( 0.000 0.006 2.091) 2.091 5.919 ( 0.000 0.044 -1.821) 1.821 5.928 ( 0.000 0.092 0.185) 0.206 5.956 ( 0.000 -0.018 0.417) 0.418 7.483 ( 0.000 0.096 -1.068) 1.073 7.644 ( 0.000 -0.144 -0.962) 0.972 8.359 ( 0.000 -0.238 -0.409) 0.473 8.382 ( 0.000 0.109 1.153) 1.158 8.415 ( 0.000 -1.065 -0.412) 1.142 8.459 ( 0.000 0.945 0.230) 0.973 8.651 ( 0.000 -0.268 -1.711) 1.732 8.728 ( 0.000 0.751 1.076) 1.312 ======================= Grid point 232 (86/100) ======================= q-point: ( 0.14 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 12.337 0.289 -6.117) 13.773 0.597 ( -0.584 -6.788 1.356) 6.947 0.876 ( 2.262 -0.655 -14.807) 14.993 1.003 ( 9.349 -0.412 -9.039) 13.011 1.122 ( 4.467 3.676 -2.981) 6.508 1.310 ( 2.163 0.598 -10.686) 10.919 1.357 ( 2.224 -2.486 -1.148) 3.528 1.416 ( 1.907 0.649 1.604) 2.575 1.649 ( -2.497 -0.986 2.664) 3.782 1.749 ( -1.132 -1.997 0.534) 2.357 1.881 ( -3.083 -0.080 0.779) 3.181 1.906 ( -1.338 2.364 -1.814) 3.266 1.980 ( -0.167 -5.539 3.615) 6.617 2.059 ( 1.399 -0.641 2.306) 2.773 2.109 ( 2.379 3.320 1.313) 4.290 2.205 ( -1.546 1.322 2.587) 3.291 2.280 ( 1.525 1.441 0.661) 2.200 2.374 ( -3.423 0.207 0.857) 3.535 2.548 ( 5.656 0.285 0.053) 5.663 2.865 ( -0.031 -0.012 -1.308) 1.309 3.322 ( 0.709 -0.022 -2.117) 2.233 3.480 ( -1.176 0.302 -2.728) 2.986 3.675 ( 3.721 0.089 -0.574) 3.766 4.016 ( -1.109 -0.052 8.962) 9.030 4.035 ( -0.744 -0.349 1.963) 2.128 4.305 ( -4.128 0.098 -3.199) 5.223 4.432 ( 2.333 -0.063 -0.473) 2.382 4.581 ( -1.042 -0.024 2.938) 3.117 4.716 ( 0.013 -0.078 -4.106) 4.107 4.832 ( -1.122 0.001 -0.753) 1.352 5.095 ( 0.740 -0.174 -1.892) 2.038 5.231 ( -0.848 0.090 -1.979) 2.155 5.412 ( -0.073 -0.013 0.046) 0.087 5.461 ( -0.686 0.040 -1.798) 1.925 5.583 ( 0.983 -0.027 -0.606) 1.155 5.675 ( -0.536 0.008 -0.415) 0.678 5.775 ( 0.797 -0.012 2.100) 2.247 5.915 ( -1.161 0.025 0.585) 1.300 5.920 ( 0.051 0.105 -1.741) 1.745 5.958 ( 0.054 -0.011 -0.060) 0.082 7.486 ( 0.382 0.091 -1.070) 1.140 7.632 ( -1.238 -0.157 -0.997) 1.597 8.346 ( -1.262 -0.212 -0.265) 1.307 8.358 ( -1.843 -0.066 0.417) 1.891 8.433 ( 1.230 -1.276 0.091) 1.775 8.471 ( 1.031 1.440 0.388) 1.813 8.642 ( -0.943 -0.151 -1.513) 1.789 8.710 ( -1.770 0.432 0.918) 2.040 ======================= Grid point 233 (87/100) ======================= q-point: ( 0.29 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 2.546 -3.452 -1.947) 4.710 0.682 ( 5.287 0.763 -5.457) 7.637 0.958 ( 5.834 -2.311 -16.186) 17.359 1.147 ( 2.205 2.084 -8.338) 8.873 1.245 ( 9.390 1.383 -3.776) 10.215 1.361 ( 2.292 1.513 -2.575) 3.765 1.401 ( 3.773 0.831 -0.348) 3.879 1.471 ( 3.420 -2.829 2.189) 4.949 1.598 ( -2.267 -1.266 4.238) 4.970 1.724 ( -1.508 -2.482 -0.792) 3.010 1.818 ( -2.800 0.223 -2.492) 3.755 1.889 ( -0.282 2.522 -1.900) 3.170 1.961 ( -1.579 -3.967 3.319) 5.408 2.065 ( -1.663 -0.237 -1.945) 2.570 2.159 ( 1.966 -0.090 3.255) 3.804 2.202 ( 1.754 1.745 3.422) 4.223 2.298 ( 0.336 0.676 1.364) 1.559 2.325 ( -1.662 1.016 1.203) 2.289 2.658 ( 5.866 0.341 -0.094) 5.876 2.859 ( -0.816 0.009 -0.905) 1.219 3.342 ( 1.471 0.004 -2.190) 2.639 3.451 ( -1.830 0.271 -2.657) 3.238 3.766 ( 5.710 0.120 0.082) 5.712 3.987 ( -1.948 0.043 7.786) 8.026 4.026 ( 0.016 -0.361 1.203) 1.256 4.218 ( -5.087 0.129 -2.862) 5.838 4.469 ( 1.692 -0.106 1.138) 2.042 4.556 ( -1.564 -0.022 3.078) 3.453 4.720 ( 0.521 -0.085 -4.445) 4.477 4.803 ( -1.822 -0.062 -2.142) 2.813 5.114 ( 1.358 -0.084 -1.395) 1.948 5.209 ( -1.491 0.064 -1.533) 2.140 5.411 ( 0.080 -0.031 -0.462) 0.470 5.445 ( -0.947 -0.003 -1.580) 1.842 5.605 ( 1.327 -0.022 -0.574) 1.446 5.662 ( -0.725 0.010 -0.443) 0.850 5.795 ( 1.301 -0.016 2.164) 2.526 5.887 ( -1.706 0.046 1.386) 2.199 5.924 ( 0.326 0.042 -1.880) 1.909 5.955 ( -0.394 -0.008 -0.749) 0.846 7.498 ( 0.979 0.072 -1.074) 1.455 7.600 ( -2.027 -0.147 -1.055) 2.290 8.319 ( -1.408 -0.120 -0.124) 1.419 8.324 ( -1.610 -0.117 0.128) 1.619 8.455 ( 1.161 -1.240 0.116) 1.703 8.487 ( 0.527 1.404 0.410) 1.554 8.623 ( -0.849 0.135 -0.955) 1.285 8.671 ( -2.143 0.228 0.624) 2.244 ======================= Grid point 234 (88/100) ======================= q-point: ( 0.43 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 3.774 -0.855 -4.406) 5.864 0.726 ( -0.447 0.563 -5.676) 5.721 1.064 ( 4.934 -2.056 -14.426) 15.385 1.142 ( -2.078 1.024 -13.526) 13.723 1.342 ( 2.167 -0.019 0.725) 2.285 1.373 ( -0.645 1.188 0.149) 1.360 1.498 ( 2.766 1.045 4.100) 5.055 1.510 ( 0.438 -1.261 6.650) 6.783 1.610 ( 4.275 -0.348 -0.227) 4.295 1.689 ( -2.507 -1.139 -1.249) 3.024 1.801 ( 0.870 -2.152 -5.059) 5.566 1.893 ( 0.025 2.716 -3.771) 4.648 1.939 ( 0.281 -2.606 1.179) 2.874 2.000 ( -4.309 -0.555 -1.042) 4.468 2.182 ( 0.665 -2.500 4.133) 4.876 2.236 ( 1.024 1.384 2.682) 3.187 2.297 ( -0.036 0.958 2.870) 3.026 2.313 ( -0.036 2.004 0.710) 2.126 2.759 ( 4.698 0.227 -0.286) 4.712 2.828 ( -2.621 0.102 -0.543) 2.679 3.375 ( 1.990 0.113 -2.344) 3.077 3.414 ( -2.109 0.213 -2.520) 3.293 3.872 ( 5.010 0.028 2.089) 5.428 3.944 ( -2.773 0.015 5.326) 6.004 4.046 ( 2.436 -0.144 0.190) 2.448 4.120 ( -5.091 0.070 -1.800) 5.400 4.498 ( 1.459 -0.102 2.401) 2.812 4.526 ( -1.580 -0.047 2.989) 3.381 4.737 ( 1.321 -0.098 -4.317) 4.515 4.768 ( -1.862 -0.089 -3.486) 3.953 5.144 ( 1.733 -0.017 -1.122) 2.064 5.178 ( -1.798 0.041 -1.188) 2.156 5.416 ( 0.448 -0.037 -0.954) 1.054 5.428 ( -0.815 -0.018 -1.317) 1.549 5.629 ( 1.148 -0.012 -0.531) 1.265 5.648 ( -0.862 0.002 -0.490) 0.991 5.822 ( 1.575 -0.001 2.155) 2.670 5.854 ( -1.749 0.022 1.898) 2.581 5.933 ( 0.573 0.009 -1.744) 1.836 5.945 ( -0.654 -0.007 -1.357) 1.506 7.523 ( 1.689 0.014 -1.086) 2.008 7.560 ( -2.156 -0.078 -1.088) 2.416 8.300 ( -0.564 -0.112 -0.013) 0.576 8.302 ( -0.675 -0.036 -0.001) 0.676 8.475 ( 0.890 -0.633 0.097) 1.096 8.488 ( -0.346 0.462 0.147) 0.595 8.617 ( 0.342 0.436 -0.245) 0.606 8.636 ( -1.545 0.412 0.275) 1.623 ======================= Grid point 238 (89/100) ======================= q-point: ( 0.00 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( 0.000 -2.683 -0.000) 2.683 0.505 ( 0.000 -12.631 -0.000) 12.631 0.717 ( 0.000 -14.640 -0.000) 14.640 0.830 ( 0.000 2.573 0.000) 2.573 1.062 ( 0.000 2.325 0.000) 2.325 1.113 ( 0.000 10.191 0.000) 10.191 1.317 ( 0.000 -3.845 -0.000) 3.845 1.430 ( 0.000 1.906 0.000) 1.906 1.695 ( 0.000 -3.566 -0.000) 3.566 1.769 ( 0.000 -0.948 -0.000) 0.948 1.914 ( 0.000 6.094 0.000) 6.094 1.944 ( 0.000 -3.143 -0.000) 3.143 1.947 ( 0.000 -1.236 -0.000) 1.236 2.080 ( 0.000 0.588 0.000) 0.588 2.170 ( 0.000 -0.792 -0.000) 0.792 2.230 ( 0.000 0.123 0.000) 0.123 2.292 ( 0.000 3.243 0.000) 3.243 2.454 ( 0.000 0.043 0.000) 0.043 2.455 ( 0.000 1.335 0.000) 1.335 2.847 ( 0.000 -0.048 -0.000) 0.048 3.291 ( 0.000 0.134 0.000) 0.134 3.464 ( 0.000 0.522 0.000) 0.522 3.631 ( 0.000 0.007 0.000) 0.007 4.053 ( 0.000 -0.859 -0.000) 0.859 4.173 ( 0.000 0.198 0.000) 0.198 4.290 ( 0.000 0.129 0.000) 0.129 4.380 ( 0.000 -0.060 -0.000) 0.060 4.622 ( 0.000 -0.060 -0.000) 0.060 4.676 ( 0.000 0.052 0.000) 0.052 4.842 ( 0.000 0.057 0.000) 0.057 5.062 ( 0.000 -0.436 -0.000) 0.436 5.217 ( 0.000 0.183 0.000) 0.183 5.415 ( 0.000 -0.002 -0.000) 0.002 5.448 ( 0.000 -0.082 -0.000) 0.082 5.566 ( 0.000 -0.049 -0.000) 0.049 5.676 ( 0.000 0.010 0.000) 0.010 5.791 ( 0.000 0.087 0.000) 0.087 5.899 ( 0.000 0.112 0.000) 0.112 5.928 ( 0.000 -0.116 -0.000) 0.116 5.960 ( 0.000 -0.024 -0.000) 0.024 7.473 ( 0.000 0.096 0.000) 0.096 7.633 ( 0.000 -0.200 -0.000) 0.200 8.352 ( 0.000 -0.133 -0.000) 0.133 8.399 ( 0.000 0.088 0.000) 0.088 8.404 ( 0.000 -1.214 -0.000) 1.214 8.467 ( 0.000 1.040 0.000) 1.040 8.623 ( 0.000 -0.830 -0.000) 0.830 8.743 ( 0.000 0.622 0.000) 0.622 ======================= Grid point 239 (90/100) ======================= q-point: ( 0.14 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 14.570 -1.155 -0.000) 14.616 0.530 ( 3.447 -10.779 -0.000) 11.317 0.664 ( -2.140 -9.107 -0.000) 9.355 0.943 ( 10.662 1.334 0.000) 10.745 1.088 ( 0.134 6.949 0.000) 6.950 1.194 ( 8.835 2.622 0.000) 9.216 1.353 ( 2.997 -1.906 -0.000) 3.552 1.442 ( 1.405 1.146 0.000) 1.813 1.673 ( -2.048 -3.717 -0.000) 4.244 1.754 ( -1.462 -0.860 -0.000) 1.696 1.875 ( -4.374 -1.007 -0.000) 4.489 1.897 ( -1.655 6.034 0.000) 6.257 1.988 ( 1.396 -3.832 -0.000) 4.078 2.101 ( 0.202 -1.358 -0.000) 1.373 2.146 ( -0.453 0.775 0.000) 0.898 2.236 ( 0.461 -0.334 -0.000) 0.569 2.292 ( 0.288 2.447 0.000) 2.464 2.384 ( -2.771 0.877 0.000) 2.906 2.551 ( 5.625 0.559 0.000) 5.652 2.850 ( 0.188 -0.011 -0.000) 0.188 3.297 ( 0.718 0.029 0.000) 0.718 3.452 ( -1.156 0.488 0.000) 1.255 3.669 ( 3.916 0.139 0.000) 3.918 4.044 ( -0.745 -0.836 -0.000) 1.119 4.151 ( -2.311 0.087 0.000) 2.313 4.241 ( -3.801 0.179 0.000) 3.805 4.425 ( 3.343 -0.097 -0.000) 3.344 4.614 ( -0.850 -0.049 -0.000) 0.851 4.672 ( -0.349 0.031 0.000) 0.350 4.822 ( -1.951 -0.017 -0.000) 1.951 5.073 ( 1.096 -0.350 -0.000) 1.151 5.211 ( -0.650 0.157 0.000) 0.669 5.412 ( -0.286 -0.013 -0.000) 0.286 5.442 ( -0.554 -0.071 -0.000) 0.558 5.577 ( 0.994 -0.039 -0.000) 0.994 5.670 ( -0.541 0.012 0.000) 0.541 5.799 ( 0.854 0.026 0.000) 0.855 5.899 ( 0.037 0.068 0.000) 0.077 5.921 ( -0.773 -0.093 -0.000) 0.779 5.958 ( -0.331 0.100 0.000) 0.346 7.476 ( 0.376 0.087 0.000) 0.386 7.620 ( -1.277 -0.233 -0.000) 1.298 8.341 ( -1.101 -0.104 -0.000) 1.106 8.361 ( -2.192 -0.481 -0.000) 2.245 8.427 ( 1.134 -1.361 -0.000) 1.771 8.487 ( 1.386 2.044 0.000) 2.469 8.618 ( -0.454 -0.564 -0.000) 0.725 8.721 ( -2.062 0.116 0.000) 2.065 ======================= Grid point 240 (91/100) ======================= q-point: ( 0.29 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 2.073 -6.139 -0.000) 6.480 0.606 ( 5.057 -3.182 -0.000) 5.975 0.753 ( 8.042 -0.946 -0.000) 8.097 1.047 ( -1.820 5.389 0.000) 5.688 1.211 ( 12.710 0.469 0.000) 12.719 1.344 ( 5.537 0.751 0.000) 5.587 1.411 ( 3.955 1.350 0.000) 4.179 1.491 ( 4.215 -2.972 -0.000) 5.157 1.633 ( -1.997 -4.424 -0.000) 4.854 1.723 ( -1.651 -0.703 -0.000) 1.794 1.791 ( -4.223 1.728 0.000) 4.563 1.871 ( -1.096 5.175 0.000) 5.289 1.977 ( -2.601 -4.479 -0.000) 5.180 2.057 ( -2.916 -1.299 -0.000) 3.192 2.191 ( 2.992 0.180 0.000) 2.998 2.241 ( 0.087 -1.523 -0.000) 1.526 2.307 ( 1.241 2.122 0.000) 2.458 2.351 ( -0.874 1.410 0.000) 1.659 2.659 ( 5.722 0.534 0.000) 5.747 2.848 ( -0.548 0.068 0.000) 0.552 3.318 ( 1.457 0.052 0.000) 1.458 3.424 ( -1.779 0.441 0.000) 1.833 3.767 ( 6.269 0.215 0.000) 6.273 4.035 ( -0.046 -0.518 -0.000) 0.520 4.092 ( -3.828 -0.063 -0.000) 3.829 4.166 ( -4.137 0.205 0.000) 4.142 4.485 ( 2.912 -0.132 -0.000) 2.915 4.593 ( -1.318 -0.012 -0.000) 1.318 4.668 ( 0.122 -0.020 -0.000) 0.124 4.775 ( -2.853 -0.127 -0.000) 2.855 5.099 ( 1.638 -0.192 -0.000) 1.649 5.193 ( -1.258 0.113 0.000) 1.263 5.407 ( -0.209 -0.035 -0.000) 0.212 5.429 ( -0.793 -0.051 -0.000) 0.795 5.600 ( 1.350 -0.035 -0.000) 1.350 5.658 ( -0.750 0.011 0.000) 0.750 5.821 ( 1.407 -0.003 -0.000) 1.407 5.900 ( -0.378 -0.042 -0.000) 0.381 5.902 ( -0.578 0.027 0.000) 0.578 5.946 ( -0.904 0.100 0.000) 0.909 7.488 ( 0.962 0.074 0.000) 0.965 7.588 ( -2.033 -0.214 -0.000) 2.044 8.317 ( -1.299 -0.061 -0.000) 1.301 8.324 ( -1.671 -0.372 -0.000) 1.712 8.449 ( 1.224 -1.272 -0.000) 1.765 8.502 ( 0.060 1.653 0.000) 1.654 8.611 ( -0.111 0.155 0.000) 0.191 8.678 ( -2.247 0.025 0.000) 2.248 ======================= Grid point 241 (92/100) ======================= q-point: ( 0.43 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 3.446 -1.480 -0.000) 3.750 0.670 ( 0.661 0.818 0.000) 1.052 0.880 ( 6.042 -1.625 -0.000) 6.256 0.983 ( -4.717 1.651 0.000) 4.998 1.353 ( 3.205 0.282 0.000) 3.218 1.386 ( -0.370 1.434 0.000) 1.481 1.532 ( 6.090 0.948 0.000) 6.163 1.591 ( 1.436 -3.240 -0.000) 3.544 1.609 ( 3.716 -6.726 -0.000) 7.684 1.693 ( -2.441 -0.093 -0.000) 2.443 1.742 ( 0.682 3.609 0.000) 3.673 1.823 ( -5.119 3.034 0.000) 5.950 1.946 ( 0.961 -2.033 -0.000) 2.248 1.996 ( -3.508 -0.842 -0.000) 3.608 2.230 ( 1.147 -1.623 -0.000) 1.987 2.241 ( -0.207 -2.282 -0.000) 2.291 2.331 ( 1.106 2.355 0.000) 2.602 2.343 ( -0.253 2.151 0.000) 2.166 2.757 ( 4.521 0.410 0.000) 4.540 2.822 ( -2.405 0.219 0.000) 2.415 3.350 ( 1.935 0.215 0.000) 1.947 3.388 ( -2.044 0.360 0.000) 2.076 3.892 ( 6.744 0.196 0.000) 6.746 4.007 ( -5.256 0.040 0.000) 5.256 4.048 ( 1.376 -0.263 -0.000) 1.401 4.093 ( -3.411 -0.081 -0.000) 3.412 4.532 ( 2.118 -0.086 -0.000) 2.119 4.566 ( -1.595 -0.022 -0.000) 1.595 4.682 ( 1.492 -0.099 -0.000) 1.495 4.722 ( -2.662 -0.157 -0.000) 2.667 5.132 ( 1.814 -0.056 -0.000) 1.815 5.165 ( -1.691 0.044 0.000) 1.692 5.407 ( 0.213 -0.039 -0.000) 0.217 5.415 ( -0.642 -0.040 -0.000) 0.644 5.624 ( 1.174 -0.023 -0.000) 1.175 5.643 ( -0.889 -0.002 -0.000) 0.889 5.849 ( 1.524 -0.006 -0.000) 1.524 5.876 ( -1.420 -0.023 -0.000) 1.420 5.910 ( 0.695 0.024 0.000) 0.696 5.927 ( -1.049 0.039 0.000) 1.050 7.513 ( 1.651 0.010 0.000) 1.651 7.548 ( -2.124 -0.110 -0.000) 2.127 8.299 ( -0.483 -0.076 -0.000) 0.489 8.301 ( -0.729 -0.183 -0.000) 0.752 8.472 ( 1.193 -0.638 -0.000) 1.353 8.492 ( -0.914 0.391 0.000) 0.994 8.618 ( 0.811 0.666 0.000) 1.050 8.641 ( -1.672 0.459 0.000) 1.734 ======================= Grid point 287 (93/100) ======================= q-point: ( 0.00 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 0.000 0.000 -9.924) 9.924 0.670 ( 0.000 -0.000 7.238) 7.238 0.853 ( 0.000 0.000 -4.205) 4.205 0.903 ( 0.000 0.000 -21.072) 21.072 1.053 ( 0.000 0.000 -1.523) 1.523 1.298 ( 0.000 0.000 -19.283) 19.283 1.365 ( 0.000 -0.000 1.449) 1.449 1.369 ( 0.000 -0.000 1.850) 1.850 1.678 ( 0.000 -0.000 2.044) 2.044 1.772 ( 0.000 -0.000 1.206) 1.206 1.906 ( 0.000 0.000 -3.758) 3.758 1.917 ( 0.000 -0.000 3.849) 3.849 2.027 ( 0.000 0.000 -3.464) 3.464 2.036 ( 0.000 -0.000 3.577) 3.577 2.060 ( 0.000 -0.000 8.612) 8.612 2.230 ( 0.000 -0.000 2.809) 2.809 2.233 ( 0.000 0.000 -0.547) 0.547 2.439 ( 0.000 -0.000 0.969) 0.969 2.460 ( 0.000 0.000 -0.504) 0.504 2.865 ( 0.000 0.000 -1.476) 1.476 3.315 ( 0.000 0.000 -2.152) 2.152 3.490 ( 0.000 0.000 -2.783) 2.783 3.638 ( 0.000 0.000 -0.722) 0.722 4.028 ( 0.000 -0.000 10.204) 10.204 4.045 ( 0.000 -0.000 1.570) 1.570 4.362 ( 0.000 0.000 -3.438) 3.438 4.391 ( 0.000 0.000 -1.016) 1.016 4.592 ( 0.000 -0.000 2.871) 2.871 4.717 ( 0.000 0.000 -3.957) 3.957 4.842 ( 0.000 0.000 -0.114) 0.114 5.089 ( 0.000 0.000 -2.118) 2.118 5.239 ( 0.000 0.000 -2.220) 2.220 5.413 ( 0.000 -0.000 0.271) 0.271 5.468 ( 0.000 0.000 -1.867) 1.867 5.573 ( 0.000 0.000 -0.608) 0.608 5.680 ( 0.000 0.000 -0.421) 0.421 5.767 ( 0.000 -0.000 2.063) 2.063 5.919 ( 0.000 0.000 -1.860) 1.860 5.928 ( 0.000 -0.000 0.273) 0.273 5.956 ( 0.000 -0.000 0.417) 0.417 7.482 ( 0.000 0.000 -1.050) 1.050 7.645 ( 0.000 0.000 -0.957) 0.957 8.360 ( 0.000 0.000 -0.591) 0.591 8.382 ( 0.000 -0.000 1.316) 1.316 8.423 ( 0.000 0.000 -0.394) 0.394 8.452 ( 0.000 -0.000 0.218) 0.218 8.653 ( 0.000 0.000 -1.663) 1.663 8.724 ( 0.000 -0.000 1.206) 1.206 ======================= Grid point 289 (94/100) ======================= q-point: ( 0.14 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 12.055 0.000 -5.948) 13.443 0.641 ( -1.901 -0.000 4.096) 4.515 0.876 ( 3.412 0.000 -14.765) 15.154 1.009 ( 10.215 0.000 -9.619) 14.031 1.095 ( 3.031 0.000 -3.254) 4.447 1.310 ( 1.803 0.000 -11.778) 11.915 1.370 ( 0.561 -0.000 1.336) 1.449 1.415 ( 3.979 0.000 -0.696) 4.039 1.653 ( -2.369 -0.000 2.818) 3.682 1.763 ( -0.879 -0.000 0.561) 1.043 1.882 ( -3.334 -0.000 1.190) 3.540 1.889 ( -1.454 0.000 -3.401) 3.699 2.035 ( -1.948 -0.000 6.623) 6.904 2.048 ( 1.790 0.000 -2.113) 2.769 2.083 ( 3.864 -0.000 3.327) 5.099 2.196 ( -1.436 -0.000 3.246) 3.549 2.272 ( 1.867 -0.000 0.276) 1.888 2.373 ( -3.555 -0.000 0.756) 3.635 2.546 ( 5.607 0.000 -0.002) 5.607 2.865 ( -0.030 0.000 -1.306) 1.307 3.322 ( 0.722 0.000 -2.155) 2.273 3.478 ( -1.168 0.000 -2.764) 3.001 3.674 ( 3.693 0.000 -0.572) 3.737 4.016 ( -1.182 -0.000 9.543) 9.616 4.037 ( -0.678 -0.000 1.441) 1.593 4.304 ( -4.145 0.000 -3.193) 5.232 4.432 ( 2.351 0.000 -0.471) 2.398 4.582 ( -1.044 -0.000 2.949) 3.128 4.716 ( 0.015 0.000 -4.155) 4.155 4.832 ( -1.101 0.000 -0.747) 1.331 5.096 ( 0.712 0.000 -1.842) 1.975 5.231 ( -0.837 0.000 -2.005) 2.172 5.412 ( -0.067 -0.000 0.044) 0.080 5.461 ( -0.671 0.000 -1.770) 1.893 5.583 ( 0.981 0.000 -0.604) 1.152 5.675 ( -0.538 0.000 -0.416) 0.680 5.775 ( 0.805 -0.000 2.082) 2.232 5.914 ( -1.234 -0.000 0.766) 1.452 5.920 ( 0.129 0.000 -1.878) 1.883 5.958 ( 0.052 0.000 -0.075) 0.091 7.486 ( 0.385 0.000 -1.053) 1.121 7.633 ( -1.234 0.000 -0.990) 1.582 8.347 ( -1.287 0.000 -0.429) 1.357 8.358 ( -1.799 -0.000 0.623) 1.903 8.443 ( 1.507 -0.000 0.243) 1.527 8.459 ( 0.677 -0.000 0.161) 0.696 8.643 ( -1.019 0.000 -1.457) 1.778 8.707 ( -1.638 -0.000 1.030) 1.935 ======================= Grid point 291 (95/100) ======================= q-point: ( 0.29 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 1.398 0.000 -0.937) 1.682 0.676 ( 5.378 0.000 -5.412) 7.630 0.973 ( 6.178 0.000 -16.242) 17.378 1.134 ( 1.070 0.000 -9.135) 9.197 1.236 ( 11.285 0.000 -3.498) 11.815 1.353 ( 1.905 0.000 -2.525) 3.163 1.395 ( 3.057 -0.000 0.469) 3.092 1.491 ( 3.356 -0.000 1.862) 3.838 1.606 ( -2.095 -0.000 4.530) 4.991 1.739 ( -1.841 0.000 -0.658) 1.955 1.824 ( -1.767 0.000 -2.884) 3.382 1.865 ( -0.777 0.000 -3.427) 3.514 1.990 ( -2.518 -0.000 3.512) 4.321 2.060 ( -1.357 0.000 -1.667) 2.150 2.163 ( 4.073 -0.000 2.403) 4.729 2.188 ( 0.808 -0.000 5.010) 5.075 2.295 ( 0.602 -0.000 0.601) 0.851 2.317 ( -2.249 -0.000 1.738) 2.842 2.656 ( 5.878 0.000 -0.133) 5.880 2.859 ( -0.832 0.000 -0.926) 1.246 3.342 ( 1.447 0.000 -2.217) 2.648 3.450 ( -1.818 0.000 -2.690) 3.247 3.766 ( 5.719 -0.000 0.066) 5.719 3.987 ( -1.933 -0.000 7.834) 8.069 4.028 ( -0.040 -0.000 1.215) 1.216 4.218 ( -5.085 0.000 -2.854) 5.831 4.470 ( 1.699 -0.000 1.127) 2.038 4.556 ( -1.560 -0.000 3.076) 3.449 4.720 ( 0.524 0.000 -4.478) 4.509 4.804 ( -1.806 0.000 -2.128) 2.791 5.115 ( 1.330 0.000 -1.362) 1.903 5.209 ( -1.484 0.000 -1.546) 2.142 5.411 ( 0.084 0.000 -0.466) 0.473 5.445 ( -0.939 0.000 -1.568) 1.827 5.606 ( 1.325 0.000 -0.572) 1.443 5.662 ( -0.725 0.000 -0.443) 0.849 5.795 ( 1.299 -0.000 2.158) 2.519 5.886 ( -1.700 -0.000 1.415) 2.212 5.924 ( 0.338 0.000 -1.882) 1.912 5.955 ( -0.393 0.000 -0.768) 0.862 7.498 ( 0.990 0.000 -1.062) 1.452 7.601 ( -2.040 0.000 -1.051) 2.295 8.320 ( -1.428 0.000 -0.206) 1.443 8.325 ( -1.622 -0.000 0.241) 1.640 8.469 ( 1.121 -0.000 0.399) 1.190 8.472 ( 0.644 -0.000 0.089) 0.650 8.622 ( -0.965 0.000 -0.936) 1.345 8.670 ( -2.155 -0.000 0.681) 2.260 ======================= Grid point 293 (96/100) ======================= q-point: ( 0.43 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 3.167 0.000 -4.335) 5.369 0.722 ( -0.268 0.000 -5.762) 5.768 1.079 ( 4.586 0.000 -15.095) 15.776 1.134 ( -1.277 0.000 -13.362) 13.423 1.343 ( 2.026 -0.000 0.433) 2.071 1.365 ( -0.466 -0.000 0.570) 0.736 1.491 ( 3.519 -0.000 4.349) 5.594 1.518 ( -0.311 -0.000 7.116) 7.123 1.614 ( 3.971 -0.000 0.612) 4.018 1.693 ( -3.233 0.000 -2.046) 3.826 1.832 ( 2.017 0.000 -5.326) 5.695 1.861 ( -0.305 0.000 -4.341) 4.352 1.956 ( -0.227 -0.000 0.817) 0.848 2.002 ( -4.026 0.000 -0.534) 4.062 2.211 ( 1.095 -0.000 4.361) 4.496 2.215 ( 1.111 -0.000 2.914) 3.119 2.294 ( -0.221 -0.000 2.179) 2.190 2.298 ( -0.214 -0.000 1.332) 1.349 2.757 ( 4.752 0.000 -0.333) 4.763 2.827 ( -2.667 0.000 -0.577) 2.729 3.374 ( 1.954 0.000 -2.372) 3.074 3.413 ( -2.084 0.000 -2.552) 3.295 3.871 ( 5.071 -0.000 2.026) 5.460 3.944 ( -2.802 -0.000 5.343) 6.033 4.047 ( 2.364 -0.000 0.243) 2.377 4.120 ( -5.052 0.000 -1.761) 5.350 4.498 ( 1.455 -0.000 2.376) 2.786 4.526 ( -1.572 -0.000 2.979) 3.369 4.738 ( 1.327 0.000 -4.331) 4.530 4.768 ( -1.862 0.000 -3.474) 3.942 5.144 ( 1.718 0.000 -1.108) 2.045 5.177 ( -1.791 0.000 -1.184) 2.147 5.416 ( 0.450 0.000 -0.958) 1.059 5.428 ( -0.815 0.000 -1.312) 1.545 5.629 ( 1.144 0.000 -0.529) 1.260 5.648 ( -0.858 0.000 -0.488) 0.987 5.822 ( 1.570 -0.000 2.156) 2.667 5.854 ( -1.742 -0.000 1.909) 2.585 5.933 ( 0.583 0.000 -1.748) 1.843 5.945 ( -0.657 0.000 -1.367) 1.516 7.523 ( 1.715 0.000 -1.081) 2.028 7.561 ( -2.185 0.000 -1.087) 2.440 8.300 ( -0.528 0.000 -0.058) 0.531 8.302 ( -0.729 -0.000 0.064) 0.732 8.482 ( 0.335 -0.000 0.059) 0.340 8.483 ( 0.303 -0.000 0.203) 0.364 8.614 ( 0.283 0.000 -0.268) 0.390 8.633 ( -1.612 -0.000 0.287) 1.638 ======================= Grid point 301 (97/100) ======================= q-point: ( 0.00 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( 0.000 -0.697 -0.000) 0.697 0.624 ( 0.000 -6.582 -0.000) 6.582 0.812 ( 0.000 0.718 0.000) 0.718 0.837 ( 0.000 -5.350 -0.000) 5.350 1.014 ( 0.000 5.447 0.000) 5.447 1.041 ( 0.000 1.074 0.000) 1.074 1.361 ( 0.000 -3.668 -0.000) 3.668 1.401 ( 0.000 2.958 0.000) 2.958 1.722 ( 0.000 -1.057 -0.000) 1.057 1.786 ( 0.000 -1.597 -0.000) 1.597 1.848 ( 0.000 3.992 0.000) 3.992 1.958 ( 0.000 -0.539 -0.000) 0.539 1.978 ( 0.000 -1.757 -0.000) 1.757 2.075 ( 0.000 0.274 0.000) 0.274 2.174 ( 0.000 -0.071 -0.000) 0.071 2.229 ( 0.000 0.046 0.000) 0.046 2.264 ( 0.000 1.304 0.000) 1.304 2.442 ( 0.000 0.638 0.000) 0.638 2.454 ( 0.000 0.021 0.000) 0.021 2.848 ( 0.000 -0.020 -0.000) 0.020 3.290 ( 0.000 0.039 0.000) 0.039 3.460 ( 0.000 0.213 0.000) 0.213 3.631 ( 0.000 0.003 0.000) 0.003 4.061 ( 0.000 -0.349 -0.000) 0.349 4.171 ( 0.000 0.089 0.000) 0.089 4.289 ( 0.000 0.053 0.000) 0.053 4.381 ( 0.000 -0.024 -0.000) 0.024 4.623 ( 0.000 -0.024 -0.000) 0.024 4.675 ( 0.000 0.020 0.000) 0.020 4.841 ( 0.000 0.023 0.000) 0.023 5.066 ( 0.000 -0.175 -0.000) 0.175 5.216 ( 0.000 0.076 0.000) 0.076 5.415 ( 0.000 -0.001 -0.000) 0.001 5.448 ( 0.000 -0.033 -0.000) 0.033 5.567 ( 0.000 -0.019 -0.000) 0.019 5.676 ( 0.000 0.004 0.000) 0.004 5.790 ( 0.000 0.034 0.000) 0.034 5.898 ( 0.000 0.043 0.000) 0.043 5.929 ( 0.000 -0.044 -0.000) 0.044 5.960 ( 0.000 -0.009 -0.000) 0.009 7.472 ( 0.000 0.037 0.000) 0.037 7.635 ( 0.000 -0.078 -0.000) 0.078 8.353 ( 0.000 -0.053 -0.000) 0.053 8.398 ( 0.000 0.035 0.000) 0.035 8.417 ( 0.000 -0.745 -0.000) 0.745 8.456 ( 0.000 0.676 0.000) 0.676 8.630 ( 0.000 -0.359 -0.000) 0.359 8.737 ( 0.000 0.278 0.000) 0.278 ======================= Grid point 302 (98/100) ======================= q-point: ( 0.14 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 14.534 0.053 0.000) 14.534 0.635 ( 2.634 -6.025 -0.000) 6.576 0.736 ( -6.224 -2.737 -0.000) 6.799 0.936 ( 11.360 -0.329 -0.000) 11.365 1.010 ( 0.310 5.176 0.000) 5.185 1.179 ( 9.991 0.315 0.000) 9.996 1.378 ( 1.025 -1.585 -0.000) 1.887 1.430 ( 3.496 0.640 0.000) 3.554 1.705 ( -1.541 -1.499 -0.000) 2.150 1.769 ( -1.564 -1.604 -0.000) 2.240 1.833 ( -1.394 4.190 0.000) 4.416 1.882 ( -5.300 -0.264 -0.000) 5.307 2.027 ( 2.198 -2.316 -0.000) 3.193 2.111 ( 2.875 -0.246 -0.000) 2.886 2.136 ( -3.235 0.703 0.000) 3.311 2.235 ( 0.510 0.489 0.000) 0.707 2.274 ( 1.000 0.503 0.000) 1.119 2.375 ( -2.930 0.462 0.000) 2.966 2.546 ( 5.652 0.237 0.000) 5.657 2.850 ( 0.160 -0.003 -0.000) 0.160 3.297 ( 0.746 0.027 0.000) 0.746 3.448 ( -1.133 0.198 0.000) 1.150 3.668 ( 3.852 0.038 0.000) 3.852 4.051 ( -0.813 -0.357 -0.000) 0.888 4.150 ( -2.218 0.045 0.000) 2.219 4.239 ( -3.859 0.082 0.000) 3.859 4.426 ( 3.371 -0.036 -0.000) 3.371 4.614 ( -0.863 -0.021 -0.000) 0.863 4.671 ( -0.332 0.013 0.000) 0.332 4.822 ( -1.896 -0.006 -0.000) 1.896 5.076 ( 1.030 -0.142 -0.000) 1.040 5.210 ( -0.633 0.067 0.000) 0.636 5.412 ( -0.276 -0.005 -0.000) 0.276 5.443 ( -0.563 -0.028 -0.000) 0.564 5.577 ( 0.990 -0.016 -0.000) 0.990 5.670 ( -0.542 0.005 0.000) 0.542 5.799 ( 0.883 0.016 0.000) 0.883 5.898 ( 0.060 0.028 0.000) 0.067 5.922 ( -0.793 -0.035 -0.000) 0.793 5.957 ( -0.375 0.025 0.000) 0.376 7.475 ( 0.381 0.032 0.000) 0.382 7.622 ( -1.265 -0.088 -0.000) 1.268 8.342 ( -1.124 -0.041 -0.000) 1.124 8.365 ( -2.152 -0.157 -0.000) 2.158 8.443 ( 1.433 -1.308 -0.000) 1.940 8.466 ( 0.952 1.509 0.000) 1.784 8.623 ( -0.683 -0.258 -0.000) 0.730 8.719 ( -1.845 0.143 0.000) 1.851 ======================= Grid point 303 (99/100) ======================= q-point: ( 0.29 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 4.212 -0.576 -0.000) 4.252 0.645 ( -1.544 -2.654 -0.000) 3.071 0.771 ( 8.133 -1.492 -0.000) 8.268 0.995 ( -0.721 2.798 0.000) 2.890 1.205 ( 13.679 0.404 0.000) 13.685 1.331 ( 5.190 0.774 0.000) 5.248 1.401 ( 2.335 0.469 0.000) 2.381 1.529 ( 6.853 -2.398 -0.000) 7.261 1.678 ( -1.070 -2.624 -0.000) 2.834 1.735 ( -1.895 -1.543 -0.000) 2.444 1.775 ( -5.585 0.540 0.000) 5.611 1.808 ( -1.227 4.878 0.000) 5.030 2.026 ( -3.214 -3.654 -0.000) 4.867 2.057 ( -2.889 1.320 0.000) 3.176 2.189 ( 3.894 0.059 0.000) 3.895 2.250 ( 1.079 0.030 0.000) 1.079 2.293 ( 0.880 0.240 0.000) 0.912 2.337 ( -1.286 0.806 0.000) 1.518 2.655 ( 5.753 0.213 0.000) 5.757 2.848 ( -0.599 0.031 0.000) 0.599 3.317 ( 1.408 0.039 0.000) 1.409 3.421 ( -1.753 0.175 0.000) 1.761 3.766 ( 6.257 0.074 0.000) 6.257 4.040 ( -0.182 -0.252 -0.000) 0.311 4.092 ( -3.829 -0.019 -0.000) 3.829 4.165 ( -4.072 0.099 0.000) 4.073 4.486 ( 2.911 -0.051 -0.000) 2.911 4.593 ( -1.329 -0.007 -0.000) 1.329 4.668 ( 0.152 -0.007 -0.000) 0.152 4.777 ( -2.817 -0.050 -0.000) 2.817 5.101 ( 1.568 -0.079 -0.000) 1.570 5.192 ( -1.232 0.048 0.000) 1.233 5.407 ( -0.203 -0.013 -0.000) 0.203 5.429 ( -0.801 -0.020 -0.000) 0.801 5.600 ( 1.347 -0.014 -0.000) 1.347 5.658 ( -0.747 0.005 0.000) 0.747 5.821 ( 1.412 0.001 0.000) 1.412 5.901 ( 0.137 -0.026 -0.000) 0.140 5.902 ( -1.100 0.021 0.000) 1.100 5.945 ( -0.881 0.033 0.000) 0.882 7.488 ( 0.976 0.025 0.000) 0.976 7.590 ( -2.063 -0.082 -0.000) 2.064 8.317 ( -1.310 -0.023 -0.000) 1.310 8.327 ( -1.752 -0.135 -0.000) 1.757 8.465 ( 0.949 -1.446 -0.000) 1.729 8.483 ( 0.625 1.584 0.000) 1.702 8.611 ( -0.466 0.004 0.000) 0.466 8.677 ( -2.351 0.089 0.000) 2.353 ======================= Grid point 304 (100/100) ======================= q-point: ( 0.43 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.10e-04 1.10e-04 3.67e-09 3.67e-09 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 1.430 -0.648 -0.000) 1.569 0.662 ( 0.574 0.442 0.000) 0.725 0.897 ( 5.103 -0.997 -0.000) 5.199 0.967 ( -2.497 0.953 0.000) 2.673 1.351 ( 2.686 0.014 0.000) 2.686 1.374 ( 0.100 0.534 0.000) 0.544 1.519 ( 8.486 0.794 0.000) 8.523 1.632 ( -1.499 -2.954 -0.000) 3.313 1.678 ( 2.424 -3.713 -0.000) 4.434 1.694 ( -0.162 0.986 0.000) 0.999 1.708 ( -0.462 -0.097 -0.000) 0.472 1.779 ( -2.819 4.046 0.000) 4.931 1.968 ( -1.092 -1.379 -0.000) 1.759 2.000 ( -3.389 0.168 0.000) 3.393 2.245 ( 1.904 -0.816 -0.000) 2.072 2.262 ( -0.070 -1.157 -0.000) 1.159 2.309 ( 0.874 1.123 0.000) 1.423 2.322 ( -0.532 1.277 0.000) 1.383 2.753 ( 4.600 0.162 0.000) 4.603 2.820 ( -2.487 0.088 0.000) 2.488 3.348 ( 1.863 0.091 0.000) 1.865 3.385 ( -1.995 0.143 0.000) 2.000 3.890 ( 6.763 0.075 0.000) 6.764 4.007 ( -5.409 0.016 0.000) 5.409 4.050 ( 1.349 -0.121 -0.000) 1.354 4.093 ( -3.254 -0.029 -0.000) 3.255 4.533 ( 2.085 -0.034 -0.000) 2.086 4.566 ( -1.577 -0.009 -0.000) 1.577 4.683 ( 1.530 -0.039 -0.000) 1.531 4.724 ( -2.671 -0.062 -0.000) 2.672 5.132 ( 1.760 -0.023 -0.000) 1.760 5.165 ( -1.652 0.018 0.000) 1.652 5.407 ( 0.213 -0.015 -0.000) 0.213 5.415 ( -0.644 -0.016 -0.000) 0.644 5.624 ( 1.166 -0.009 -0.000) 1.166 5.643 ( -0.881 -0.001 -0.000) 0.881 5.849 ( 1.527 -0.002 -0.000) 1.527 5.877 ( -1.433 -0.009 -0.000) 1.433 5.910 ( 0.700 0.010 0.000) 0.700 5.927 ( -1.032 0.015 0.000) 1.032 7.513 ( 1.694 0.001 0.000) 1.694 7.549 ( -2.180 -0.043 -0.000) 2.180 8.299 ( -0.457 -0.029 -0.000) 0.458 8.303 ( -0.797 -0.070 -0.000) 0.800 8.480 ( 0.608 -0.613 -0.000) 0.863 8.487 ( -0.147 0.504 0.000) 0.525 8.612 ( 0.717 0.247 0.000) 0.759 8.637 ( -1.847 0.214 0.000) 1.859 =================== 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 3/27216 10.0 22.947 33.633 38.080 0.000 0.000 0.000 3/27216 20.0 5.960 4.311 13.612 0.000 0.000 0.000 3/27216 30.0 3.631 2.056 8.478 0.000 0.000 0.000 3/27216 40.0 2.698 1.383 6.260 0.000 0.000 0.000 3/27216 50.0 2.172 1.055 4.997 0.000 0.000 0.000 3/27216 60.0 1.825 0.856 4.168 0.000 0.000 0.000 3/27216 70.0 1.575 0.722 3.578 0.000 0.000 0.000 3/27216 80.0 1.386 0.625 3.136 0.000 0.000 0.000 3/27216 90.0 1.238 0.551 2.792 0.000 0.000 0.000 3/27216 100.0 1.118 0.493 2.516 0.000 0.000 0.000 3/27216 110.0 1.020 0.446 2.290 0.000 0.000 0.000 3/27216 120.0 0.938 0.408 2.102 0.000 0.000 0.000 3/27216 130.0 0.868 0.376 1.942 0.000 0.000 0.000 3/27216 140.0 0.808 0.348 1.805 0.000 0.000 0.000 3/27216 150.0 0.756 0.324 1.687 0.000 0.000 0.000 3/27216 160.0 0.710 0.304 1.583 0.000 0.000 0.000 3/27216 170.0 0.669 0.286 1.491 0.000 0.000 0.000 3/27216 180.0 0.633 0.270 1.409 0.000 0.000 0.000 3/27216 190.0 0.601 0.255 1.336 0.000 0.000 0.000 3/27216 200.0 0.572 0.242 1.270 0.000 0.000 0.000 3/27216 210.0 0.545 0.231 1.210 0.000 0.000 0.000 3/27216 220.0 0.521 0.220 1.156 0.000 0.000 0.000 3/27216 230.0 0.499 0.211 1.106 0.000 0.000 0.000 3/27216 240.0 0.479 0.202 1.061 0.000 0.000 0.000 3/27216 250.0 0.460 0.194 1.019 0.000 0.000 0.000 3/27216 260.0 0.443 0.186 0.980 0.000 0.000 0.000 3/27216 270.0 0.427 0.179 0.944 0.000 0.000 0.000 3/27216 280.0 0.412 0.173 0.911 0.000 0.000 0.000 3/27216 290.0 0.398 0.167 0.880 0.000 0.000 0.000 3/27216 300.0 0.385 0.161 0.851 0.000 0.000 0.000 3/27216 310.0 0.373 0.156 0.823 0.000 0.000 0.000 3/27216 320.0 0.361 0.151 0.798 0.000 0.000 0.000 3/27216 330.0 0.351 0.147 0.774 0.000 0.000 0.000 3/27216 340.0 0.340 0.142 0.752 0.000 0.000 0.000 3/27216 350.0 0.331 0.138 0.730 0.000 0.000 0.000 3/27216 360.0 0.322 0.134 0.710 0.000 0.000 0.000 3/27216 370.0 0.313 0.131 0.691 0.000 0.000 0.000 3/27216 380.0 0.305 0.127 0.673 0.000 0.000 0.000 3/27216 390.0 0.298 0.124 0.656 0.000 0.000 0.000 3/27216 400.0 0.290 0.121 0.640 0.000 0.000 0.000 3/27216 410.0 0.283 0.118 0.624 0.000 0.000 0.000 3/27216 420.0 0.277 0.115 0.610 0.000 0.000 0.000 3/27216 430.0 0.270 0.113 0.596 0.000 0.000 0.000 3/27216 440.0 0.264 0.110 0.582 0.000 0.000 0.000 3/27216 450.0 0.259 0.108 0.569 0.000 0.000 0.000 3/27216 460.0 0.253 0.105 0.557 0.000 0.000 0.000 3/27216 470.0 0.248 0.103 0.545 0.000 0.000 0.000 3/27216 480.0 0.243 0.101 0.534 0.000 0.000 0.000 3/27216 490.0 0.238 0.099 0.523 0.000 0.000 0.000 3/27216 500.0 0.233 0.097 0.513 0.000 0.000 0.000 3/27216 510.0 0.229 0.095 0.503 0.000 0.000 0.000 3/27216 520.0 0.224 0.093 0.493 0.000 0.000 0.000 3/27216 530.0 0.220 0.091 0.484 0.000 0.000 0.000 3/27216 540.0 0.216 0.090 0.475 0.000 0.000 0.000 3/27216 550.0 0.212 0.088 0.467 0.000 0.000 0.000 3/27216 560.0 0.209 0.087 0.458 0.000 0.000 0.000 3/27216 570.0 0.205 0.085 0.450 0.000 0.000 0.000 3/27216 580.0 0.201 0.084 0.443 0.000 0.000 0.000 3/27216 590.0 0.198 0.082 0.435 0.000 0.000 0.000 3/27216 600.0 0.195 0.081 0.428 0.000 0.000 0.000 3/27216 610.0 0.192 0.079 0.421 0.000 0.000 0.000 3/27216 620.0 0.189 0.078 0.414 0.000 0.000 0.000 3/27216 630.0 0.186 0.077 0.408 0.000 0.000 0.000 3/27216 640.0 0.183 0.076 0.401 0.000 0.000 0.000 3/27216 650.0 0.180 0.075 0.395 0.000 0.000 0.000 3/27216 660.0 0.177 0.073 0.389 0.000 0.000 0.000 3/27216 670.0 0.175 0.072 0.384 0.000 0.000 0.000 3/27216 680.0 0.172 0.071 0.378 0.000 0.000 0.000 3/27216 690.0 0.170 0.070 0.372 0.000 0.000 0.000 3/27216 700.0 0.167 0.069 0.367 0.000 0.000 0.000 3/27216 710.0 0.165 0.068 0.362 0.000 0.000 0.000 3/27216 720.0 0.163 0.067 0.357 0.000 0.000 0.000 3/27216 730.0 0.161 0.066 0.352 0.000 0.000 0.000 3/27216 740.0 0.158 0.066 0.347 0.000 0.000 0.000 3/27216 750.0 0.156 0.065 0.343 0.000 0.000 0.000 3/27216 760.0 0.154 0.064 0.338 0.000 0.000 0.000 3/27216 770.0 0.152 0.063 0.334 0.000 0.000 0.000 3/27216 780.0 0.150 0.062 0.330 0.000 0.000 0.000 3/27216 790.0 0.149 0.061 0.326 0.000 0.000 0.000 3/27216 800.0 0.147 0.061 0.322 0.000 0.000 0.000 3/27216 810.0 0.145 0.060 0.318 0.000 0.000 0.000 3/27216 820.0 0.143 0.059 0.314 0.000 0.000 0.000 3/27216 830.0 0.141 0.058 0.310 0.000 0.000 0.000 3/27216 840.0 0.140 0.058 0.306 0.000 0.000 0.000 3/27216 850.0 0.138 0.057 0.303 0.000 0.000 0.000 3/27216 860.0 0.137 0.056 0.299 0.000 0.000 0.000 3/27216 870.0 0.135 0.056 0.296 0.000 0.000 0.000 3/27216 880.0 0.134 0.055 0.292 0.000 0.000 0.000 3/27216 890.0 0.132 0.055 0.289 0.000 0.000 0.000 3/27216 900.0 0.131 0.054 0.286 0.000 0.000 0.000 3/27216 910.0 0.129 0.053 0.283 0.000 0.000 0.000 3/27216 920.0 0.128 0.053 0.280 0.000 0.000 0.000 3/27216 930.0 0.126 0.052 0.277 0.000 0.000 0.000 3/27216 940.0 0.125 0.052 0.274 0.000 0.000 0.000 3/27216 950.0 0.124 0.051 0.271 0.000 0.000 0.000 3/27216 960.0 0.123 0.051 0.268 0.000 0.000 0.000 3/27216 970.0 0.121 0.050 0.265 0.000 0.000 0.000 3/27216 980.0 0.120 0.050 0.263 0.000 0.000 0.000 3/27216 990.0 0.119 0.049 0.260 0.000 0.000 0.000 3/27216 1000.0 0.118 0.049 0.258 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m799.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:03:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|