----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:07:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.381520391488622 -3.424995145000000 0.000000000000000 b 7.381520391488622 3.424995145000000 0.000000000000000 c -6.353552624627445 0.000000000000000 9.838708311929034 Atomic positions (fractional): *1 B 0.60847624437708 0.15783366126494 0.14931449144464 10.811 2 B 0.84216633873506 0.39152375562292 0.35068550855536 10.811 3 B 0.39152375562292 0.84216633873506 0.85068550855536 10.811 4 B 0.15783366126494 0.60847624437708 0.64931449144464 10.811 *5 S 0.54563868825078 0.45436131174922 0.25000000000000 32.065 *6 S 0.94309496734200 0.90150336590916 0.73035339942769 32.065 7 S 0.09849663409084 0.05690503265799 0.76964660057231 32.065 8 S 0.05690503265800 0.09849663409084 0.26964660057231 32.065 *9 S 0.16068476896704 0.56885278525181 0.47606224650173 32.065 10 S 0.45436131174922 0.54563868825078 0.75000000000000 32.065 11 S 0.43114721474819 0.83931523103296 0.02393775349827 32.065 12 S 0.83931523103296 0.43114721474819 0.52393775349827 32.065 13 S 0.56885278525181 0.16068476896704 0.97606224650173 32.065 *14 S 0.14349227506106 0.39307121039538 0.66021841000238 32.065 15 S 0.39307121039538 0.14349227506106 0.16021841000238 32.065 16 S 0.85650772493894 0.60692878960462 0.33978158999762 32.065 17 S 0.60692878960462 0.85650772493894 0.83978158999762 32.065 18 S 0.90150336590916 0.94309496734200 0.23035339942769 32.065 *19 K 0.87112510132368 0.33365293811530 0.02225584681092 39.098 20 K 0.33365293811530 0.87112510132368 0.52225584681092 39.098 21 K 0.12887489867632 0.66634706188470 0.97774415318908 39.098 22 K 0.66634706188470 0.12887489867632 0.47774415318908 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.763040782977244 0.000000000000000 0.000000000000000 b 0.000000000000000 6.849990290000000 0.000000000000000 c -6.353552624627445 0.000000000000000 9.838708311929034 Atomic positions (fractional): *1 B 0.88315495282101 0.27467870844393 0.14931449144464 10.811 > 1 2 B 0.11684504717899 0.27467870844393 0.35068550855536 10.811 > 2 3 B 0.11684504717899 0.72532129155607 0.85068550855536 10.811 > 3 4 B 0.88315495282101 0.72532129155607 0.64931449144464 10.811 > 4 5 B 0.38315495282101 0.77467870844393 0.14931449144464 10.811 > 1 6 B 0.61684504717899 0.77467870844393 0.35068550855536 10.811 > 2 7 B 0.61684504717899 0.22532129155607 0.85068550855536 10.811 > 3 8 B 0.38315495282101 0.22532129155607 0.64931449144464 10.811 > 4 *9 S 0.00000000000000 0.45436131174922 0.25000000000000 32.065 > 5 *10 S 0.92229916662558 0.97920419928358 0.73035339942769 32.065 > 6 11 S 0.07770083337442 0.97920419928358 0.76964660057231 32.065 > 7 12 S 0.07770083337442 0.02079580071642 0.26964660057231 32.065 > 8 *13 S 0.86476877710943 0.70408400814238 0.47606224650173 32.065 > 9 14 S 0.00000000000000 0.54563868825078 0.75000000000000 32.065 > 10 15 S 0.63523122289057 0.20408400814238 0.02393775349827 32.065 > 11 16 S 0.13523122289057 0.29591599185762 0.52393775349827 32.065 > 12 17 S 0.36476877710943 0.79591599185762 0.97606224650173 32.065 > 13 *18 S 0.26828174272822 0.12478946766716 0.66021841000238 32.065 > 14 19 S 0.76828174272822 0.37521053233284 0.16021841000238 32.065 > 15 20 S 0.73171825727178 0.87521053233284 0.33978158999762 32.065 > 16 21 S 0.23171825727178 0.62478946766716 0.83978158999762 32.065 > 17 22 S 0.92229916662558 0.02079580071642 0.23035339942769 32.065 > 18 23 S 0.50000000000000 0.95436131174922 0.25000000000000 32.065 > 5 24 S 0.42229916662558 0.47920419928358 0.73035339942769 32.065 > 6 25 S 0.57770083337442 0.47920419928358 0.76964660057231 32.065 > 7 26 S 0.57770083337442 0.52079580071642 0.26964660057231 32.065 > 8 27 S 0.36476877710943 0.20408400814238 0.47606224650173 32.065 > 9 28 S 0.50000000000000 0.04563868825078 0.75000000000000 32.065 > 10 29 S 0.13523122289057 0.70408400814238 0.02393775349827 32.065 > 11 30 S 0.63523122289057 0.79591599185762 0.52393775349827 32.065 > 12 31 S 0.86476877710943 0.29591599185762 0.97606224650173 32.065 > 13 32 S 0.76828174272822 0.62478946766716 0.66021841000238 32.065 > 14 33 S 0.26828174272822 0.87521053233284 0.16021841000238 32.065 > 15 34 S 0.23171825727178 0.37521053233284 0.33978158999762 32.065 > 16 35 S 0.73171825727178 0.12478946766716 0.83978158999762 32.065 > 17 36 S 0.42229916662558 0.52079580071642 0.23035339942769 32.065 > 18 *37 K 0.60238901971949 0.73126391839581 0.02225584681092 39.098 > 19 38 K 0.10238901971949 0.76873608160419 0.52225584681092 39.098 > 20 39 K 0.39761098028051 0.26873608160419 0.97774415318908 39.098 > 21 40 K 0.89761098028051 0.23126391839581 0.47774415318908 39.098 > 22 41 K 0.10238901971949 0.23126391839581 0.02225584681092 39.098 > 19 42 K 0.60238901971949 0.26873608160419 0.52225584681092 39.098 > 20 43 K 0.89761098028051 0.76873608160419 0.97774415318908 39.098 > 21 44 K 0.39761098028051 0.73126391839581 0.47774415318908 39.098 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.763040782977244 0.000000000000000 0.000000000000000 b 0.000000000000000 13.699980580000000 0.000000000000000 c -6.353552624627445 0.000000000000000 9.838708311929034 Atomic positions (fractional): *1 B 0.88315495282101 0.13733935422196 0.14931449144464 10.811 > 1 2 B 0.88315495282101 0.63733935422196 0.14931449144464 10.811 > 1 3 B 0.11684504717899 0.13733935422196 0.35068550855536 10.811 > 2 4 B 0.11684504717899 0.63733935422196 0.35068550855536 10.811 > 2 5 B 0.11684504717899 0.36266064577803 0.85068550855536 10.811 > 3 6 B 0.11684504717899 0.86266064577804 0.85068550855536 10.811 > 3 7 B 0.88315495282101 0.36266064577803 0.64931449144464 10.811 > 4 8 B 0.88315495282101 0.86266064577804 0.64931449144464 10.811 > 4 9 B 0.38315495282101 0.38733935422197 0.14931449144464 10.811 > 1 10 B 0.38315495282101 0.88733935422196 0.14931449144464 10.811 > 1 11 B 0.61684504717899 0.38733935422197 0.35068550855536 10.811 > 2 12 B 0.61684504717899 0.88733935422196 0.35068550855536 10.811 > 2 13 B 0.61684504717899 0.11266064577804 0.85068550855536 10.811 > 3 14 B 0.61684504717899 0.61266064577804 0.85068550855536 10.811 > 3 15 B 0.38315495282101 0.11266064577804 0.64931449144464 10.811 > 4 16 B 0.38315495282101 0.61266064577804 0.64931449144464 10.811 > 4 *17 S 0.00000000000000 0.22718065587461 0.25000000000000 32.065 > 5 18 S 0.00000000000000 0.72718065587461 0.25000000000000 32.065 > 5 *19 S 0.92229916662558 0.48960209964179 0.73035339942769 32.065 > 6 20 S 0.92229916662558 0.98960209964179 0.73035339942769 32.065 > 6 21 S 0.07770083337442 0.48960209964179 0.76964660057231 32.065 > 7 22 S 0.07770083337442 0.98960209964179 0.76964660057231 32.065 > 7 23 S 0.07770083337442 0.01039790035821 0.26964660057231 32.065 > 8 24 S 0.07770083337442 0.51039790035821 0.26964660057231 32.065 > 8 *25 S 0.86476877710943 0.35204200407119 0.47606224650173 32.065 > 9 26 S 0.86476877710943 0.85204200407119 0.47606224650173 32.065 > 9 27 S 0.00000000000000 0.27281934412539 0.75000000000000 32.065 > 10 28 S 0.00000000000000 0.77281934412539 0.75000000000000 32.065 > 10 29 S 0.63523122289057 0.10204200407119 0.02393775349827 32.065 > 11 30 S 0.63523122289057 0.60204200407119 0.02393775349827 32.065 > 11 31 S 0.13523122289057 0.14795799592881 0.52393775349827 32.065 > 12 32 S 0.13523122289057 0.64795799592881 0.52393775349827 32.065 > 12 33 S 0.36476877710943 0.39795799592881 0.97606224650173 32.065 > 13 34 S 0.36476877710943 0.89795799592881 0.97606224650173 32.065 > 13 *35 S 0.26828174272822 0.06239473383358 0.66021841000238 32.065 > 14 36 S 0.26828174272822 0.56239473383358 0.66021841000238 32.065 > 14 37 S 0.76828174272822 0.18760526616642 0.16021841000238 32.065 > 15 38 S 0.76828174272822 0.68760526616642 0.16021841000238 32.065 > 15 39 S 0.73171825727178 0.43760526616642 0.33978158999762 32.065 > 16 40 S 0.73171825727178 0.93760526616642 0.33978158999762 32.065 > 16 41 S 0.23171825727178 0.31239473383358 0.83978158999762 32.065 > 17 42 S 0.23171825727178 0.81239473383358 0.83978158999762 32.065 > 17 43 S 0.92229916662558 0.01039790035821 0.23035339942769 32.065 > 18 44 S 0.92229916662558 0.51039790035821 0.23035339942769 32.065 > 18 45 S 0.50000000000000 0.47718065587461 0.25000000000000 32.065 > 5 46 S 0.50000000000000 0.97718065587461 0.25000000000000 32.065 > 5 47 S 0.42229916662558 0.23960209964179 0.73035339942769 32.065 > 6 48 S 0.42229916662558 0.73960209964179 0.73035339942769 32.065 > 6 49 S 0.57770083337442 0.23960209964179 0.76964660057231 32.065 > 7 50 S 0.57770083337442 0.73960209964179 0.76964660057231 32.065 > 7 51 S 0.57770083337442 0.26039790035821 0.26964660057231 32.065 > 8 52 S 0.57770083337442 0.76039790035821 0.26964660057231 32.065 > 8 53 S 0.36476877710943 0.10204200407119 0.47606224650173 32.065 > 9 54 S 0.36476877710943 0.60204200407119 0.47606224650173 32.065 > 9 55 S 0.50000000000000 0.02281934412539 0.75000000000000 32.065 > 10 56 S 0.50000000000000 0.52281934412539 0.75000000000000 32.065 > 10 57 S 0.13523122289057 0.35204200407119 0.02393775349827 32.065 > 11 58 S 0.13523122289057 0.85204200407119 0.02393775349827 32.065 > 11 59 S 0.63523122289057 0.39795799592881 0.52393775349827 32.065 > 12 60 S 0.63523122289057 0.89795799592881 0.52393775349827 32.065 > 12 61 S 0.86476877710943 0.14795799592881 0.97606224650173 32.065 > 13 62 S 0.86476877710943 0.64795799592881 0.97606224650173 32.065 > 13 63 S 0.76828174272822 0.31239473383358 0.66021841000238 32.065 > 14 64 S 0.76828174272822 0.81239473383358 0.66021841000238 32.065 > 14 65 S 0.26828174272822 0.43760526616642 0.16021841000238 32.065 > 15 66 S 0.26828174272822 0.93760526616642 0.16021841000238 32.065 > 15 67 S 0.23171825727178 0.18760526616642 0.33978158999762 32.065 > 16 68 S 0.23171825727178 0.68760526616642 0.33978158999762 32.065 > 16 69 S 0.73171825727178 0.06239473383358 0.83978158999762 32.065 > 17 70 S 0.73171825727178 0.56239473383358 0.83978158999762 32.065 > 17 71 S 0.42229916662558 0.26039790035821 0.23035339942769 32.065 > 18 72 S 0.42229916662558 0.76039790035821 0.23035339942769 32.065 > 18 *73 K 0.60238901971949 0.36563195919791 0.02225584681092 39.098 > 19 74 K 0.60238901971949 0.86563195919791 0.02225584681092 39.098 > 19 75 K 0.10238901971949 0.38436804080209 0.52225584681092 39.098 > 20 76 K 0.10238901971949 0.88436804080209 0.52225584681092 39.098 > 20 77 K 0.39761098028051 0.13436804080209 0.97774415318908 39.098 > 21 78 K 0.39761098028051 0.63436804080209 0.97774415318908 39.098 > 21 79 K 0.89761098028051 0.11563195919791 0.47774415318908 39.098 > 22 80 K 0.89761098028051 0.61563195919791 0.47774415318908 39.098 > 22 81 K 0.10238901971949 0.11563195919791 0.02225584681092 39.098 > 19 82 K 0.10238901971949 0.61563195919791 0.02225584681092 39.098 > 19 83 K 0.60238901971949 0.13436804080209 0.52225584681092 39.098 > 20 84 K 0.60238901971949 0.63436804080209 0.52225584681092 39.098 > 20 85 K 0.89761098028051 0.38436804080209 0.97774415318908 39.098 > 21 86 K 0.89761098028051 0.88436804080209 0.97774415318908 39.098 > 21 87 K 0.39761098028051 0.36563195919791 0.47774415318908 39.098 > 22 88 K 0.39761098028051 0.86563195919791 0.47774415318908 39.098 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4619412 0.0000000 0.9072204 0.0000000 3.4898177 0.0000000 0.9072210 0.0000000 4.7659437 -------------------------- Born effective charges -------------------------- 1 B 1.0984050 -0.2080309 0.3195888 -0.1170075 0.6695676 -0.2076024 0.1233759 -0.3117131 1.3747791 2 B 1.0984050 0.2080309 0.3195888 0.1170075 0.6695676 0.2076024 0.1233759 0.3117131 1.3747791 3 B 1.0984050 -0.2080309 0.3195888 -0.1170075 0.6695676 -0.2076024 0.1233759 -0.3117131 1.3747791 4 B 1.0984050 0.2080309 0.3195888 0.1170075 0.6695676 0.2076024 0.1233759 0.3117131 1.3747791 5 S -1.0276663 -0.0000000 -0.9293300 0.0000000 -0.8200927 -0.0000000 -0.6560291 0.0000000 -1.8475173 6 S -0.3740242 0.0120035 -0.0554846 0.0475818 -0.7301134 -0.0369105 0.0205309 -0.1945424 -0.7171400 7 S -0.3740242 -0.0120035 -0.0554846 -0.0475818 -0.7301134 0.0369105 0.0205309 0.1945424 -0.7171400 8 S -0.3740242 0.0120035 -0.0554846 0.0475818 -0.7301134 -0.0369105 0.0205309 -0.1945424 -0.7171400 9 S -0.7622172 -0.2298778 0.4087751 -0.0991052 -0.4323660 -0.2278098 0.2960425 -0.4372768 -0.1570473 10 S -1.0276663 -0.0000000 -0.9293300 0.0000000 -0.8200927 -0.0000000 -0.6560291 0.0000000 -1.8475173 11 S -0.7622172 0.2298778 0.4087751 0.0991052 -0.4323660 0.2278098 0.2960425 0.4372768 -0.1570473 12 S -0.7622172 -0.2298778 0.4087751 -0.0991052 -0.4323660 -0.2278098 0.2960425 -0.4372768 -0.1570473 13 S -0.7622172 0.2298778 0.4087751 0.0991052 -0.4323660 0.2278098 0.2960425 0.4372768 -0.1570473 14 S -0.6073180 -0.2322284 -0.1599880 -0.1533208 -0.4739827 -0.1462190 -0.0291882 0.0344740 -0.8915620 15 S -0.6073180 0.2322284 -0.1599880 0.1533208 -0.4739827 0.1462190 -0.0291882 -0.0344740 -0.8915620 16 S -0.6073180 -0.2322284 -0.1599880 -0.1533208 -0.4739827 -0.1462190 -0.0291882 0.0344740 -0.8915620 17 S -0.6073180 0.2322284 -0.1599880 0.1533208 -0.4739827 0.1462190 -0.0291882 -0.0344740 -0.8915620 18 S -0.3740242 -0.0120035 -0.0554846 -0.0475818 -0.7301134 0.0369105 0.0205309 0.1945424 -0.7171400 19 K 1.1589875 -0.0518366 -0.0482264 -0.0070025 1.3769409 -0.0192055 -0.0827465 0.0913279 1.3147288 20 K 1.1589875 0.0518366 -0.0482264 0.0070025 1.3769409 0.0192055 -0.0827465 -0.0913279 1.3147288 21 K 1.1589875 -0.0518366 -0.0482264 -0.0070025 1.3769409 -0.0192055 -0.0827465 0.0913279 1.3147288 22 K 1.1589875 0.0518366 -0.0482264 0.0070025 1.3769409 0.0192055 -0.0827465 -0.0913279 1.3147288 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.700 Solver_block: 200 / 720 - Time: 0.589 Solver_block: 300 / 720 - Time: 0.584 Solver_block: 400 / 720 - Time: 0.610 Solver_block: 500 / 720 - Time: 0.586 Solver_block: 600 / 720 - Time: 0.626 Solver_block: 700 / 720 - Time: 0.638 Solver_block: 720 / 720 - Time: 0.221 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.735 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 10830/10830 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2279 Number of blocks in projector: 2279 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: 488 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 277 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 277 Use standard eigh solver. Tree of FC basis block matrices: - (2279, 2230), data: False |-- (277, 271), data: True |-- (277, 271), data: True |-- (277, 271), data: True |-- (480, 470), data: True |-- (480, 470), data: True |-- (488, 477), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:08:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.381520391488622 -3.424995145000000 0.000000000000000 b 7.381520391488622 3.424995145000000 0.000000000000000 c -6.353552624627445 0.000000000000000 9.838708311929034 Atomic positions (fractional): 1 B 0.60847624437708 0.15783366126494 0.14931449144464 10.811 2 B 0.84216633873506 0.39152375562292 0.35068550855536 10.811 3 B 0.39152375562292 0.84216633873506 0.85068550855536 10.811 4 B 0.15783366126494 0.60847624437708 0.64931449144464 10.811 5 S 0.54563868825078 0.45436131174922 0.25000000000000 32.065 6 S 0.94309496734200 0.90150336590916 0.73035339942769 32.065 7 S 0.09849663409084 0.05690503265799 0.76964660057231 32.065 8 S 0.05690503265800 0.09849663409084 0.26964660057231 32.065 9 S 0.16068476896704 0.56885278525181 0.47606224650173 32.065 10 S 0.45436131174922 0.54563868825078 0.75000000000000 32.065 11 S 0.43114721474819 0.83931523103296 0.02393775349827 32.065 12 S 0.83931523103296 0.43114721474819 0.52393775349827 32.065 13 S 0.56885278525181 0.16068476896704 0.97606224650173 32.065 14 S 0.14349227506106 0.39307121039538 0.66021841000238 32.065 15 S 0.39307121039538 0.14349227506106 0.16021841000238 32.065 16 S 0.85650772493894 0.60692878960462 0.33978158999762 32.065 17 S 0.60692878960462 0.85650772493894 0.83978158999762 32.065 18 S 0.90150336590916 0.94309496734200 0.23035339942769 32.065 19 K 0.87112510132368 0.33365293811530 0.02225584681092 39.098 20 K 0.33365293811530 0.87112510132368 0.52225584681092 39.098 21 K 0.12887489867632 0.66634706188470 0.97774415318908 39.098 22 K 0.66634706188470 0.12887489867632 0.47774415318908 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.763040782977244 0.000000000000000 0.000000000000000 b 0.000000000000000 13.699980580000000 0.000000000000000 c -6.353552624627445 0.000000000000000 9.838708311929034 Atomic positions (fractional): 1 B 0.88315495282101 0.13733935422196 0.14931449144464 10.811 > 1 2 B 0.88315495282101 0.63733935422196 0.14931449144464 10.811 > 1 3 B 0.11684504717899 0.13733935422196 0.35068550855536 10.811 > 3 4 B 0.11684504717899 0.63733935422196 0.35068550855536 10.811 > 3 5 B 0.11684504717899 0.36266064577803 0.85068550855536 10.811 > 5 6 B 0.11684504717899 0.86266064577804 0.85068550855536 10.811 > 5 7 B 0.88315495282101 0.36266064577803 0.64931449144464 10.811 > 7 8 B 0.88315495282101 0.86266064577804 0.64931449144464 10.811 > 7 9 B 0.38315495282101 0.38733935422197 0.14931449144464 10.811 > 1 10 B 0.38315495282101 0.88733935422196 0.14931449144464 10.811 > 1 11 B 0.61684504717899 0.38733935422197 0.35068550855536 10.811 > 3 12 B 0.61684504717899 0.88733935422196 0.35068550855536 10.811 > 3 13 B 0.61684504717899 0.11266064577804 0.85068550855536 10.811 > 5 14 B 0.61684504717899 0.61266064577804 0.85068550855536 10.811 > 5 15 B 0.38315495282101 0.11266064577804 0.64931449144464 10.811 > 7 16 B 0.38315495282101 0.61266064577804 0.64931449144464 10.811 > 7 17 S 0.00000000000000 0.22718065587461 0.25000000000000 32.065 > 17 18 S 0.00000000000000 0.72718065587461 0.25000000000000 32.065 > 17 19 S 0.92229916662558 0.48960209964179 0.73035339942769 32.065 > 19 20 S 0.92229916662558 0.98960209964179 0.73035339942769 32.065 > 19 21 S 0.07770083337442 0.48960209964179 0.76964660057231 32.065 > 21 22 S 0.07770083337442 0.98960209964179 0.76964660057231 32.065 > 21 23 S 0.07770083337442 0.01039790035821 0.26964660057231 32.065 > 23 24 S 0.07770083337442 0.51039790035821 0.26964660057231 32.065 > 23 25 S 0.86476877710943 0.35204200407119 0.47606224650173 32.065 > 25 26 S 0.86476877710943 0.85204200407119 0.47606224650173 32.065 > 25 27 S 0.00000000000000 0.27281934412539 0.75000000000000 32.065 > 27 28 S 0.00000000000000 0.77281934412539 0.75000000000000 32.065 > 27 29 S 0.63523122289057 0.10204200407119 0.02393775349827 32.065 > 29 30 S 0.63523122289057 0.60204200407119 0.02393775349827 32.065 > 29 31 S 0.13523122289057 0.14795799592881 0.52393775349827 32.065 > 31 32 S 0.13523122289057 0.64795799592881 0.52393775349827 32.065 > 31 33 S 0.36476877710943 0.39795799592881 0.97606224650173 32.065 > 33 34 S 0.36476877710943 0.89795799592881 0.97606224650173 32.065 > 33 35 S 0.26828174272822 0.06239473383358 0.66021841000238 32.065 > 35 36 S 0.26828174272822 0.56239473383358 0.66021841000238 32.065 > 35 37 S 0.76828174272822 0.18760526616642 0.16021841000238 32.065 > 37 38 S 0.76828174272822 0.68760526616642 0.16021841000238 32.065 > 37 39 S 0.73171825727178 0.43760526616642 0.33978158999762 32.065 > 39 40 S 0.73171825727178 0.93760526616642 0.33978158999762 32.065 > 39 41 S 0.23171825727178 0.31239473383358 0.83978158999762 32.065 > 41 42 S 0.23171825727178 0.81239473383358 0.83978158999762 32.065 > 41 43 S 0.92229916662558 0.01039790035821 0.23035339942769 32.065 > 43 44 S 0.92229916662558 0.51039790035821 0.23035339942769 32.065 > 43 45 S 0.50000000000000 0.47718065587461 0.25000000000000 32.065 > 17 46 S 0.50000000000000 0.97718065587461 0.25000000000000 32.065 > 17 47 S 0.42229916662558 0.23960209964179 0.73035339942769 32.065 > 19 48 S 0.42229916662558 0.73960209964179 0.73035339942769 32.065 > 19 49 S 0.57770083337442 0.23960209964179 0.76964660057231 32.065 > 21 50 S 0.57770083337442 0.73960209964179 0.76964660057231 32.065 > 21 51 S 0.57770083337442 0.26039790035821 0.26964660057231 32.065 > 23 52 S 0.57770083337442 0.76039790035821 0.26964660057231 32.065 > 23 53 S 0.36476877710943 0.10204200407119 0.47606224650173 32.065 > 25 54 S 0.36476877710943 0.60204200407119 0.47606224650173 32.065 > 25 55 S 0.50000000000000 0.02281934412539 0.75000000000000 32.065 > 27 56 S 0.50000000000000 0.52281934412539 0.75000000000000 32.065 > 27 57 S 0.13523122289057 0.35204200407119 0.02393775349827 32.065 > 29 58 S 0.13523122289057 0.85204200407119 0.02393775349827 32.065 > 29 59 S 0.63523122289057 0.39795799592881 0.52393775349827 32.065 > 31 60 S 0.63523122289057 0.89795799592881 0.52393775349827 32.065 > 31 61 S 0.86476877710943 0.14795799592881 0.97606224650173 32.065 > 33 62 S 0.86476877710943 0.64795799592881 0.97606224650173 32.065 > 33 63 S 0.76828174272822 0.31239473383358 0.66021841000238 32.065 > 35 64 S 0.76828174272822 0.81239473383358 0.66021841000238 32.065 > 35 65 S 0.26828174272822 0.43760526616642 0.16021841000238 32.065 > 37 66 S 0.26828174272822 0.93760526616642 0.16021841000238 32.065 > 37 67 S 0.23171825727178 0.18760526616642 0.33978158999762 32.065 > 39 68 S 0.23171825727178 0.68760526616642 0.33978158999762 32.065 > 39 69 S 0.73171825727178 0.06239473383358 0.83978158999762 32.065 > 41 70 S 0.73171825727178 0.56239473383358 0.83978158999762 32.065 > 41 71 S 0.42229916662558 0.26039790035821 0.23035339942769 32.065 > 43 72 S 0.42229916662558 0.76039790035821 0.23035339942769 32.065 > 43 73 K 0.60238901971949 0.36563195919791 0.02225584681092 39.098 > 73 74 K 0.60238901971949 0.86563195919791 0.02225584681092 39.098 > 73 75 K 0.10238901971949 0.38436804080209 0.52225584681092 39.098 > 75 76 K 0.10238901971949 0.88436804080209 0.52225584681092 39.098 > 75 77 K 0.39761098028051 0.13436804080209 0.97774415318908 39.098 > 77 78 K 0.39761098028051 0.63436804080209 0.97774415318908 39.098 > 77 79 K 0.89761098028051 0.11563195919791 0.47774415318908 39.098 > 79 80 K 0.89761098028051 0.61563195919791 0.47774415318908 39.098 > 79 81 K 0.10238901971949 0.11563195919791 0.02225584681092 39.098 > 73 82 K 0.10238901971949 0.61563195919791 0.02225584681092 39.098 > 73 83 K 0.60238901971949 0.13436804080209 0.52225584681092 39.098 > 75 84 K 0.60238901971949 0.63436804080209 0.52225584681092 39.098 > 75 85 K 0.89761098028051 0.38436804080209 0.97774415318908 39.098 > 77 86 K 0.89761098028051 0.88436804080209 0.97774415318908 39.098 > 77 87 K 0.39761098028051 0.36563195919791 0.47774415318908 39.098 > 79 88 K 0.39761098028051 0.86563195919791 0.47774415318908 39.098 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4619412 0.0000000 0.9072204 0.0000000 3.4898177 0.0000000 0.9072210 0.0000000 4.7659437 -------------------------- Born effective charges -------------------------- 1 B 1.0984050 -0.2080309 0.3195888 -0.1170075 0.6695676 -0.2076024 0.1233759 -0.3117131 1.3747791 2 B 1.0984050 0.2080309 0.3195888 0.1170075 0.6695676 0.2076024 0.1233759 0.3117131 1.3747791 3 B 1.0984050 -0.2080309 0.3195888 -0.1170075 0.6695676 -0.2076024 0.1233759 -0.3117131 1.3747791 4 B 1.0984050 0.2080309 0.3195888 0.1170075 0.6695676 0.2076024 0.1233759 0.3117131 1.3747791 5 S -1.0276663 -0.0000000 -0.9293300 0.0000000 -0.8200927 -0.0000000 -0.6560291 0.0000000 -1.8475173 6 S -0.3740242 0.0120035 -0.0554846 0.0475818 -0.7301134 -0.0369105 0.0205309 -0.1945424 -0.7171400 7 S -0.3740242 -0.0120035 -0.0554846 -0.0475818 -0.7301134 0.0369105 0.0205309 0.1945424 -0.7171400 8 S -0.3740242 0.0120035 -0.0554846 0.0475818 -0.7301134 -0.0369105 0.0205309 -0.1945424 -0.7171400 9 S -0.7622172 -0.2298778 0.4087751 -0.0991052 -0.4323660 -0.2278098 0.2960425 -0.4372768 -0.1570473 10 S -1.0276663 -0.0000000 -0.9293300 0.0000000 -0.8200927 -0.0000000 -0.6560291 0.0000000 -1.8475173 11 S -0.7622172 0.2298778 0.4087751 0.0991052 -0.4323660 0.2278098 0.2960425 0.4372768 -0.1570473 12 S -0.7622172 -0.2298778 0.4087751 -0.0991052 -0.4323660 -0.2278098 0.2960425 -0.4372768 -0.1570473 13 S -0.7622172 0.2298778 0.4087751 0.0991052 -0.4323660 0.2278098 0.2960425 0.4372768 -0.1570473 14 S -0.6073180 -0.2322284 -0.1599880 -0.1533208 -0.4739827 -0.1462190 -0.0291882 0.0344740 -0.8915620 15 S -0.6073180 0.2322284 -0.1599880 0.1533208 -0.4739827 0.1462190 -0.0291882 -0.0344740 -0.8915620 16 S -0.6073180 -0.2322284 -0.1599880 -0.1533208 -0.4739827 -0.1462190 -0.0291882 0.0344740 -0.8915620 17 S -0.6073180 0.2322284 -0.1599880 0.1533208 -0.4739827 0.1462190 -0.0291882 -0.0344740 -0.8915620 18 S -0.3740242 -0.0120035 -0.0554846 -0.0475818 -0.7301134 0.0369105 0.0205309 0.1945424 -0.7171400 19 K 1.1589875 -0.0518366 -0.0482264 -0.0070025 1.3769409 -0.0192055 -0.0827465 0.0913279 1.3147288 20 K 1.1589875 0.0518366 -0.0482264 0.0070025 1.3769409 0.0192055 -0.0827465 -0.0913279 1.3147288 21 K 1.1589875 -0.0518366 -0.0482264 -0.0070025 1.3769409 -0.0192055 -0.0827465 0.0913279 1.3147288 22 K 1.1589875 0.0518366 -0.0482264 0.0070025 1.3769409 0.0192055 -0.0827465 -0.0913279 1.3147288 ---------------------------------------------------------------------------- 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 35, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:08:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.381520391488622 -3.424995145000000 0.000000000000000 b 7.381520391488622 3.424995145000000 0.000000000000000 c -6.353552624627445 0.000000000000000 9.838708311929034 Atomic positions (fractional): 1 B 0.60847624437708 0.15783366126494 0.14931449144464 10.811 2 B 0.84216633873506 0.39152375562292 0.35068550855536 10.811 3 B 0.39152375562292 0.84216633873506 0.85068550855536 10.811 4 B 0.15783366126494 0.60847624437708 0.64931449144464 10.811 5 S 0.54563868825078 0.45436131174922 0.25000000000000 32.065 6 S 0.94309496734200 0.90150336590916 0.73035339942769 32.065 7 S 0.09849663409084 0.05690503265799 0.76964660057231 32.065 8 S 0.05690503265800 0.09849663409084 0.26964660057231 32.065 9 S 0.16068476896704 0.56885278525181 0.47606224650173 32.065 10 S 0.45436131174922 0.54563868825078 0.75000000000000 32.065 11 S 0.43114721474819 0.83931523103296 0.02393775349827 32.065 12 S 0.83931523103296 0.43114721474819 0.52393775349827 32.065 13 S 0.56885278525181 0.16068476896704 0.97606224650173 32.065 14 S 0.14349227506106 0.39307121039538 0.66021841000238 32.065 15 S 0.39307121039538 0.14349227506106 0.16021841000238 32.065 16 S 0.85650772493894 0.60692878960462 0.33978158999762 32.065 17 S 0.60692878960462 0.85650772493894 0.83978158999762 32.065 18 S 0.90150336590916 0.94309496734200 0.23035339942769 32.065 19 K 0.87112510132368 0.33365293811530 0.02225584681092 39.098 20 K 0.33365293811530 0.87112510132368 0.52225584681092 39.098 21 K 0.12887489867632 0.66634706188470 0.97774415318908 39.098 22 K 0.66634706188470 0.12887489867632 0.47774415318908 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.763040782977244 0.000000000000000 0.000000000000000 b 0.000000000000000 13.699980580000000 0.000000000000000 c -6.353552624627445 0.000000000000000 9.838708311929034 Atomic positions (fractional): 1 B 0.88315495282101 0.13733935422196 0.14931449144464 10.811 > 1 2 B 0.88315495282101 0.63733935422196 0.14931449144464 10.811 > 1 3 B 0.11684504717899 0.13733935422196 0.35068550855536 10.811 > 3 4 B 0.11684504717899 0.63733935422196 0.35068550855536 10.811 > 3 5 B 0.11684504717899 0.36266064577803 0.85068550855536 10.811 > 5 6 B 0.11684504717899 0.86266064577804 0.85068550855536 10.811 > 5 7 B 0.88315495282101 0.36266064577803 0.64931449144464 10.811 > 7 8 B 0.88315495282101 0.86266064577804 0.64931449144464 10.811 > 7 9 B 0.38315495282101 0.38733935422197 0.14931449144464 10.811 > 1 10 B 0.38315495282101 0.88733935422196 0.14931449144464 10.811 > 1 11 B 0.61684504717899 0.38733935422197 0.35068550855536 10.811 > 3 12 B 0.61684504717899 0.88733935422196 0.35068550855536 10.811 > 3 13 B 0.61684504717899 0.11266064577804 0.85068550855536 10.811 > 5 14 B 0.61684504717899 0.61266064577804 0.85068550855536 10.811 > 5 15 B 0.38315495282101 0.11266064577804 0.64931449144464 10.811 > 7 16 B 0.38315495282101 0.61266064577804 0.64931449144464 10.811 > 7 17 S 0.00000000000000 0.22718065587461 0.25000000000000 32.065 > 17 18 S 0.00000000000000 0.72718065587461 0.25000000000000 32.065 > 17 19 S 0.92229916662558 0.48960209964179 0.73035339942769 32.065 > 19 20 S 0.92229916662558 0.98960209964179 0.73035339942769 32.065 > 19 21 S 0.07770083337442 0.48960209964179 0.76964660057231 32.065 > 21 22 S 0.07770083337442 0.98960209964179 0.76964660057231 32.065 > 21 23 S 0.07770083337442 0.01039790035821 0.26964660057231 32.065 > 23 24 S 0.07770083337442 0.51039790035821 0.26964660057231 32.065 > 23 25 S 0.86476877710943 0.35204200407119 0.47606224650173 32.065 > 25 26 S 0.86476877710943 0.85204200407119 0.47606224650173 32.065 > 25 27 S 0.00000000000000 0.27281934412539 0.75000000000000 32.065 > 27 28 S 0.00000000000000 0.77281934412539 0.75000000000000 32.065 > 27 29 S 0.63523122289057 0.10204200407119 0.02393775349827 32.065 > 29 30 S 0.63523122289057 0.60204200407119 0.02393775349827 32.065 > 29 31 S 0.13523122289057 0.14795799592881 0.52393775349827 32.065 > 31 32 S 0.13523122289057 0.64795799592881 0.52393775349827 32.065 > 31 33 S 0.36476877710943 0.39795799592881 0.97606224650173 32.065 > 33 34 S 0.36476877710943 0.89795799592881 0.97606224650173 32.065 > 33 35 S 0.26828174272822 0.06239473383358 0.66021841000238 32.065 > 35 36 S 0.26828174272822 0.56239473383358 0.66021841000238 32.065 > 35 37 S 0.76828174272822 0.18760526616642 0.16021841000238 32.065 > 37 38 S 0.76828174272822 0.68760526616642 0.16021841000238 32.065 > 37 39 S 0.73171825727178 0.43760526616642 0.33978158999762 32.065 > 39 40 S 0.73171825727178 0.93760526616642 0.33978158999762 32.065 > 39 41 S 0.23171825727178 0.31239473383358 0.83978158999762 32.065 > 41 42 S 0.23171825727178 0.81239473383358 0.83978158999762 32.065 > 41 43 S 0.92229916662558 0.01039790035821 0.23035339942769 32.065 > 43 44 S 0.92229916662558 0.51039790035821 0.23035339942769 32.065 > 43 45 S 0.50000000000000 0.47718065587461 0.25000000000000 32.065 > 17 46 S 0.50000000000000 0.97718065587461 0.25000000000000 32.065 > 17 47 S 0.42229916662558 0.23960209964179 0.73035339942769 32.065 > 19 48 S 0.42229916662558 0.73960209964179 0.73035339942769 32.065 > 19 49 S 0.57770083337442 0.23960209964179 0.76964660057231 32.065 > 21 50 S 0.57770083337442 0.73960209964179 0.76964660057231 32.065 > 21 51 S 0.57770083337442 0.26039790035821 0.26964660057231 32.065 > 23 52 S 0.57770083337442 0.76039790035821 0.26964660057231 32.065 > 23 53 S 0.36476877710943 0.10204200407119 0.47606224650173 32.065 > 25 54 S 0.36476877710943 0.60204200407119 0.47606224650173 32.065 > 25 55 S 0.50000000000000 0.02281934412539 0.75000000000000 32.065 > 27 56 S 0.50000000000000 0.52281934412539 0.75000000000000 32.065 > 27 57 S 0.13523122289057 0.35204200407119 0.02393775349827 32.065 > 29 58 S 0.13523122289057 0.85204200407119 0.02393775349827 32.065 > 29 59 S 0.63523122289057 0.39795799592881 0.52393775349827 32.065 > 31 60 S 0.63523122289057 0.89795799592881 0.52393775349827 32.065 > 31 61 S 0.86476877710943 0.14795799592881 0.97606224650173 32.065 > 33 62 S 0.86476877710943 0.64795799592881 0.97606224650173 32.065 > 33 63 S 0.76828174272822 0.31239473383358 0.66021841000238 32.065 > 35 64 S 0.76828174272822 0.81239473383358 0.66021841000238 32.065 > 35 65 S 0.26828174272822 0.43760526616642 0.16021841000238 32.065 > 37 66 S 0.26828174272822 0.93760526616642 0.16021841000238 32.065 > 37 67 S 0.23171825727178 0.18760526616642 0.33978158999762 32.065 > 39 68 S 0.23171825727178 0.68760526616642 0.33978158999762 32.065 > 39 69 S 0.73171825727178 0.06239473383358 0.83978158999762 32.065 > 41 70 S 0.73171825727178 0.56239473383358 0.83978158999762 32.065 > 41 71 S 0.42229916662558 0.26039790035821 0.23035339942769 32.065 > 43 72 S 0.42229916662558 0.76039790035821 0.23035339942769 32.065 > 43 73 K 0.60238901971949 0.36563195919791 0.02225584681092 39.098 > 73 74 K 0.60238901971949 0.86563195919791 0.02225584681092 39.098 > 73 75 K 0.10238901971949 0.38436804080209 0.52225584681092 39.098 > 75 76 K 0.10238901971949 0.88436804080209 0.52225584681092 39.098 > 75 77 K 0.39761098028051 0.13436804080209 0.97774415318908 39.098 > 77 78 K 0.39761098028051 0.63436804080209 0.97774415318908 39.098 > 77 79 K 0.89761098028051 0.11563195919791 0.47774415318908 39.098 > 79 80 K 0.89761098028051 0.61563195919791 0.47774415318908 39.098 > 79 81 K 0.10238901971949 0.11563195919791 0.02225584681092 39.098 > 73 82 K 0.10238901971949 0.61563195919791 0.02225584681092 39.098 > 73 83 K 0.60238901971949 0.13436804080209 0.52225584681092 39.098 > 75 84 K 0.60238901971949 0.63436804080209 0.52225584681092 39.098 > 75 85 K 0.89761098028051 0.38436804080209 0.97774415318908 39.098 > 77 86 K 0.89761098028051 0.88436804080209 0.97774415318908 39.098 > 77 87 K 0.39761098028051 0.36563195919791 0.47774415318908 39.098 > 79 88 K 0.39761098028051 0.86563195919791 0.47774415318908 39.098 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4619412 0.0000000 0.9072204 0.0000000 3.4898177 0.0000000 0.9072210 0.0000000 4.7659437 -------------------------- Born effective charges -------------------------- 1 B 1.0984050 -0.2080309 0.3195888 -0.1170075 0.6695676 -0.2076024 0.1233759 -0.3117131 1.3747791 2 B 1.0984050 0.2080309 0.3195888 0.1170075 0.6695676 0.2076024 0.1233759 0.3117131 1.3747791 3 B 1.0984050 -0.2080309 0.3195888 -0.1170075 0.6695676 -0.2076024 0.1233759 -0.3117131 1.3747791 4 B 1.0984050 0.2080309 0.3195888 0.1170075 0.6695676 0.2076024 0.1233759 0.3117131 1.3747791 5 S -1.0276663 -0.0000000 -0.9293300 0.0000000 -0.8200927 -0.0000000 -0.6560291 0.0000000 -1.8475173 6 S -0.3740242 0.0120035 -0.0554846 0.0475818 -0.7301134 -0.0369105 0.0205309 -0.1945424 -0.7171400 7 S -0.3740242 -0.0120035 -0.0554846 -0.0475818 -0.7301134 0.0369105 0.0205309 0.1945424 -0.7171400 8 S -0.3740242 0.0120035 -0.0554846 0.0475818 -0.7301134 -0.0369105 0.0205309 -0.1945424 -0.7171400 9 S -0.7622172 -0.2298778 0.4087751 -0.0991052 -0.4323660 -0.2278098 0.2960425 -0.4372768 -0.1570473 10 S -1.0276663 -0.0000000 -0.9293300 0.0000000 -0.8200927 -0.0000000 -0.6560291 0.0000000 -1.8475173 11 S -0.7622172 0.2298778 0.4087751 0.0991052 -0.4323660 0.2278098 0.2960425 0.4372768 -0.1570473 12 S -0.7622172 -0.2298778 0.4087751 -0.0991052 -0.4323660 -0.2278098 0.2960425 -0.4372768 -0.1570473 13 S -0.7622172 0.2298778 0.4087751 0.0991052 -0.4323660 0.2278098 0.2960425 0.4372768 -0.1570473 14 S -0.6073180 -0.2322284 -0.1599880 -0.1533208 -0.4739827 -0.1462190 -0.0291882 0.0344740 -0.8915620 15 S -0.6073180 0.2322284 -0.1599880 0.1533208 -0.4739827 0.1462190 -0.0291882 -0.0344740 -0.8915620 16 S -0.6073180 -0.2322284 -0.1599880 -0.1533208 -0.4739827 -0.1462190 -0.0291882 0.0344740 -0.8915620 17 S -0.6073180 0.2322284 -0.1599880 0.1533208 -0.4739827 0.1462190 -0.0291882 -0.0344740 -0.8915620 18 S -0.3740242 -0.0120035 -0.0554846 -0.0475818 -0.7301134 0.0369105 0.0205309 0.1945424 -0.7171400 19 K 1.1589875 -0.0518366 -0.0482264 -0.0070025 1.3769409 -0.0192055 -0.0827465 0.0913279 1.3147288 20 K 1.1589875 0.0518366 -0.0482264 0.0070025 1.3769409 0.0192055 -0.0827465 -0.0913279 1.3147288 21 K 1.1589875 -0.0518366 -0.0482264 -0.0070025 1.3769409 -0.0192055 -0.0827465 0.0913279 1.3147288 22 K 1.1589875 0.0518366 -0.0482264 0.0070025 1.3769409 0.0192055 -0.0827465 -0.0913279 1.3147288 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/93) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.339 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.121 ( 0.000 0.000 0.000) 0.000 8.516 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 10.159 ( 0.000 0.000 0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 11.304 ( 0.000 0.000 0.000) 0.000 11.317 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 12.010 ( 0.000 0.000 0.000) 0.000 13.639 ( 0.000 0.000 0.000) 0.000 13.726 ( 0.000 0.000 0.000) 0.000 14.093 ( 0.000 0.000 0.000) 0.000 14.173 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 19.392 ( 0.000 0.000 0.000) 0.000 19.543 ( 0.000 0.000 0.000) 0.000 19.949 ( 0.000 0.000 0.000) 0.000 19.990 ( 0.000 0.000 0.000) 0.000 19.991 ( 0.000 0.000 0.000) 0.000 20.210 ( 0.000 0.000 0.000) 0.000 21.490 ( 0.000 0.000 0.000) 0.000 21.683 ( 0.000 0.000 0.000) 0.000 21.700 ( 0.000 0.000 0.000) 0.000 21.895 ( 0.000 0.000 0.000) 0.000 22.027 ( 0.000 0.000 0.000) 0.000 22.653 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/93) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 13.385 -14.315 3.843) 19.971 0.492 ( 17.063 -15.617 8.258) 24.561 0.767 ( 23.963 -20.941 25.881) 41.020 1.336 ( 2.595 1.448 2.784) 4.072 1.627 ( -4.784 -3.791 -5.633) 8.306 1.893 ( -2.760 -1.063 -0.542) 3.007 2.079 ( 2.962 3.830 3.098) 5.748 2.371 ( 1.844 -3.812 0.836) 4.316 2.412 ( 4.352 5.714 1.478) 7.333 2.634 ( -3.607 -0.080 -2.743) 4.532 2.668 ( -4.043 3.826 -4.242) 6.999 2.808 ( -1.671 3.959 0.863) 4.383 2.909 ( 2.576 0.093 -2.981) 3.941 2.929 ( 6.314 3.409 -1.222) 7.279 2.976 ( -1.526 9.749 3.043) 10.326 3.134 ( 3.450 1.048 7.797) 8.590 3.272 ( 1.669 -0.795 0.910) 2.060 3.425 ( 0.671 1.110 -0.435) 1.368 3.550 ( 0.869 -6.823 -7.913) 10.484 3.640 ( -1.016 -2.766 8.199) 8.713 3.712 ( -1.468 4.438 -3.935) 6.110 3.804 ( 0.116 -7.372 -2.255) 7.710 3.977 ( -19.155 -9.819 -9.554) 23.550 4.537 ( -0.644 0.870 0.139) 1.091 4.648 ( -4.012 0.119 -2.573) 4.767 4.865 ( 3.059 -2.261 1.314) 4.024 5.205 ( 0.679 -0.267 -2.421) 2.529 5.227 ( -19.147 -0.823 -21.907) 29.107 6.000 ( 2.476 0.102 1.764) 3.042 6.011 ( 8.558 0.653 9.331) 12.678 6.370 ( 1.177 0.372 0.560) 1.356 6.391 ( 0.404 0.088 1.390) 1.450 6.510 ( -0.900 -1.469 -0.645) 1.840 6.693 ( -0.718 3.336 4.356) 5.533 6.978 ( 0.271 -0.001 0.869) 0.910 7.043 ( 0.109 0.343 0.746) 0.828 7.820 ( 0.447 -0.340 0.809) 0.985 7.992 ( -1.022 -0.181 -1.110) 1.520 8.143 ( 3.800 0.884 4.602) 6.034 8.513 ( -1.145 -0.294 -1.672) 2.048 8.993 ( 2.822 -0.173 2.934) 4.075 9.449 ( -2.157 -0.030 -2.397) 3.225 10.175 ( 1.330 -0.125 1.719) 2.177 10.613 ( -3.127 0.378 -3.530) 4.730 11.308 ( 0.016 -0.338 0.222) 0.405 11.319 ( 0.083 -0.056 0.516) 0.526 11.818 ( 2.327 0.834 2.645) 3.620 12.004 ( -0.820 0.125 -1.121) 1.394 13.642 ( 0.489 0.080 0.653) 0.820 13.727 ( -0.558 0.371 0.579) 0.885 14.096 ( 0.490 0.131 0.553) 0.750 14.169 ( -0.329 0.124 -0.405) 0.536 14.446 ( 0.022 0.093 0.017) 0.097 14.451 ( -0.017 0.164 -0.028) 0.167 19.504 ( 5.247 6.738 15.424) 17.630 19.552 ( 0.349 -0.209 1.844) 1.888 19.952 ( -0.206 -0.033 0.083) 0.225 19.972 ( 0.059 1.098 -0.314) 1.143 20.001 ( 0.471 0.398 1.172) 1.325 20.181 ( -0.628 2.798 -0.670) 2.945 21.493 ( 0.587 0.037 0.483) 0.761 21.658 ( -1.130 0.080 -4.187) 4.338 21.748 ( 4.876 0.064 1.743) 5.178 21.993 ( -2.450 -1.546 -5.348) 6.082 22.059 ( 1.837 -1.467 3.410) 4.142 22.635 ( -3.278 0.992 -2.672) 4.343 ======================= Grid point 2 (3/93) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 11.531 -12.759 3.935) 17.642 0.931 ( 14.879 -12.710 6.536) 20.631 1.339 ( 6.760 -5.283 9.043) 12.465 1.441 ( 15.945 -9.191 10.902) 21.391 1.635 ( -4.585 -5.341 -1.992) 7.316 1.885 ( 1.292 2.044 2.348) 3.371 2.014 ( -3.608 3.563 -0.878) 5.147 2.325 ( -1.973 1.696 -0.566) 2.662 2.362 ( -6.006 5.186 -7.265) 10.759 2.561 ( -3.957 2.005 -0.160) 4.439 2.648 ( 1.296 -0.013 8.211) 8.313 2.702 ( 5.656 6.479 -6.994) 11.085 2.811 ( -2.892 5.013 5.533) 8.007 2.908 ( 7.065 3.674 6.482) 10.268 2.993 ( 3.016 -4.353 -2.288) 5.769 3.157 ( -2.965 0.324 3.150) 4.338 3.335 ( 8.547 0.176 4.961) 9.884 3.425 ( 0.193 0.864 -0.186) 0.904 3.542 ( -1.139 5.310 -1.524) 5.641 3.643 ( 1.619 -2.448 -5.461) 6.199 3.717 ( -2.427 -3.117 1.944) 4.403 3.905 ( -3.975 -5.417 -5.625) 8.763 3.944 ( -4.956 -2.669 -0.364) 5.641 4.515 ( -0.061 1.407 0.472) 1.485 4.581 ( -7.722 -0.234 -7.916) 11.061 4.854 ( -13.796 -0.729 -13.537) 19.342 5.037 ( -3.061 -3.721 -5.620) 7.403 5.203 ( 0.647 -0.426 -2.783) 2.889 6.033 ( 2.960 0.005 2.035) 3.592 6.097 ( 4.980 1.004 4.733) 6.944 6.381 ( 1.780 0.374 1.783) 2.547 6.414 ( 2.469 0.304 4.103) 4.798 6.517 ( -1.267 -0.257 -0.535) 1.399 6.638 ( -3.186 1.562 -1.151) 3.731 6.987 ( 0.179 -0.020 1.341) 1.353 7.043 ( 0.348 0.352 1.000) 1.116 7.842 ( 0.939 -0.721 1.472) 1.889 7.978 ( -1.068 0.131 -1.179) 1.597 8.198 ( 5.911 1.210 7.048) 9.278 8.489 ( -3.095 -0.605 -3.842) 4.971 9.055 ( 5.128 -0.194 5.530) 7.544 9.403 ( -4.123 -0.009 -4.698) 6.251 10.210 ( 3.047 -0.098 3.702) 4.796 10.541 ( -5.302 0.441 -6.146) 8.129 11.318 ( -0.009 -0.477 0.286) 0.556 11.325 ( 0.101 -0.085 0.639) 0.653 11.844 ( 2.627 0.294 2.691) 3.772 11.983 ( -1.469 0.192 -1.998) 2.487 13.651 ( 0.891 0.133 1.155) 1.465 13.715 ( -0.942 0.165 -0.644) 1.153 14.103 ( 0.840 0.194 0.963) 1.293 14.159 ( -0.627 0.177 -0.766) 1.006 14.444 ( 0.038 0.133 0.028) 0.141 14.447 ( -0.022 0.230 -0.038) 0.235 19.513 ( 2.112 2.053 5.615) 6.340 19.573 ( 0.360 -0.512 1.885) 1.986 19.926 ( -0.599 1.529 -1.030) 1.938 19.969 ( 0.419 0.430 1.204) 1.345 20.003 ( -0.047 -0.090 0.328) 0.343 20.105 ( -0.567 4.059 -0.909) 4.198 21.504 ( 1.122 0.034 1.021) 1.518 21.624 ( -1.820 -0.211 -3.746) 4.170 21.802 ( 3.389 -0.696 2.351) 4.183 21.967 ( -0.896 0.087 -3.278) 3.399 22.138 ( 3.049 -2.075 5.042) 6.247 22.553 ( -4.802 1.910 -3.991) 6.530 ======================= Grid point 3 (4/93) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 7.482 -8.472 3.232) 11.756 1.266 ( 10.870 -8.805 4.548) 14.709 1.447 ( 3.442 -2.651 1.991) 4.778 1.631 ( -1.282 -5.360 -5.078) 7.494 1.747 ( 5.892 4.600 5.052) 9.022 1.868 ( -4.076 1.377 -2.403) 4.928 1.932 ( -0.876 0.891 8.015) 8.112 2.205 ( -1.529 0.995 -6.199) 6.461 2.308 ( -1.092 -0.291 -0.294) 1.167 2.475 ( -3.778 3.587 -0.393) 5.224 2.541 ( -2.280 3.935 1.123) 4.684 2.743 ( 4.103 1.590 7.273) 8.500 2.786 ( 3.087 1.000 1.514) 3.581 2.981 ( 1.818 -0.924 4.880) 5.289 3.093 ( 6.403 -2.162 0.556) 6.781 3.134 ( -4.195 -2.225 -0.461) 4.771 3.333 ( -1.074 5.213 -1.673) 5.579 3.437 ( 6.609 -0.004 6.916) 9.566 3.535 ( 6.151 -0.452 3.702) 7.194 3.652 ( -2.824 -0.162 -2.170) 3.565 3.715 ( -2.490 -0.549 -5.079) 5.683 3.883 ( -2.516 0.029 -0.098) 2.518 3.999 ( 1.779 -2.762 0.364) 3.306 4.368 ( -18.855 0.867 -21.414) 28.546 4.490 ( 0.096 1.392 0.167) 1.406 4.741 ( -5.561 -2.230 -3.086) 6.740 5.109 ( 1.940 -2.952 1.524) 3.847 5.199 ( 0.659 0.017 -2.402) 2.491 6.068 ( 2.398 -0.186 1.772) 2.988 6.116 ( 0.753 0.709 0.320) 1.082 6.406 ( 2.202 0.131 2.601) 3.411 6.460 ( 3.460 0.592 4.672) 5.844 6.491 ( -1.488 0.754 -0.906) 1.898 6.577 ( -4.034 0.199 -3.598) 5.409 6.996 ( 0.117 -0.014 1.160) 1.166 7.045 ( 0.219 0.193 0.479) 0.561 7.877 ( 1.375 -0.962 1.858) 2.503 7.954 ( -1.403 0.574 -1.560) 2.175 8.274 ( 6.747 0.847 7.927) 10.444 8.439 ( -4.915 -0.501 -5.847) 7.655 9.142 ( 6.378 -0.082 7.172) 9.598 9.330 ( -5.652 0.011 -6.564) 8.662 10.270 ( 4.600 -0.185 5.436) 7.123 10.448 ( -6.100 0.388 -7.059) 9.338 11.326 ( -0.046 -0.310 0.139) 0.342 11.330 ( 0.088 -0.096 0.452) 0.470 11.879 ( 2.728 0.145 2.904) 3.987 11.952 ( -2.036 0.099 -2.601) 3.304 13.664 ( 1.150 0.128 1.421) 1.833 13.699 ( -1.179 0.046 -1.211) 1.691 14.113 ( 0.965 0.146 1.130) 1.493 14.145 ( -0.824 0.124 -0.998) 1.300 14.442 ( 0.012 0.097 0.000) 0.097 14.443 ( 0.002 0.158 -0.006) 0.159 19.523 ( 0.885 0.605 2.162) 2.413 19.594 ( 0.288 -0.499 1.219) 1.349 19.891 ( -0.447 1.068 -0.631) 1.318 19.959 ( -0.043 1.358 0.296) 1.390 20.006 ( -0.404 -0.280 -0.253) 0.553 20.038 ( 0.197 2.169 -0.015) 2.178 21.521 ( 1.326 0.030 1.334) 1.881 21.595 ( -1.711 -0.211 -2.701) 3.204 21.850 ( 2.119 -0.559 1.825) 2.852 21.944 ( -0.446 0.235 -2.004) 2.066 22.232 ( 3.821 -1.744 5.148) 6.644 22.452 ( -5.158 1.732 -4.604) 7.127 ======================= Grid point 4 (5/93) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 -0.000 0.000) 0.000 1.445 ( 0.000 -0.000 -0.000) 0.000 1.515 ( -0.000 -0.000 0.000) 0.000 1.636 ( 0.000 -0.000 0.000) 0.000 1.681 ( 0.000 -0.000 0.000) 0.000 1.829 ( 0.000 -0.000 0.000) 0.000 1.931 ( 0.000 -0.000 0.000) 0.000 2.233 ( 0.000 -0.000 0.000) 0.000 2.278 ( -0.000 -0.000 0.000) 0.000 2.414 ( 0.000 -0.000 0.000) 0.000 2.491 ( 0.000 -0.000 -0.000) 0.000 2.773 ( 0.000 -0.000 0.000) 0.000 2.843 ( 0.000 -0.000 0.000) 0.000 2.942 ( 0.000 -0.000 -0.000) 0.000 3.158 ( 0.000 -0.000 0.000) 0.000 3.173 ( -0.000 -0.000 -0.000) 0.000 3.266 ( 0.000 -0.000 0.000) 0.000 3.523 ( 0.000 -0.000 -0.000) 0.000 3.568 ( 0.000 -0.000 0.000) 0.000 3.609 ( -0.000 -0.000 0.000) 0.000 3.698 ( 0.000 -0.000 -0.000) 0.000 3.876 ( 0.000 -0.000 0.000) 0.000 4.074 ( 0.000 -0.000 0.000) 0.000 4.144 ( 0.000 -0.000 0.000) 0.000 4.476 ( 0.000 -0.000 -0.000) 0.000 4.738 ( 0.000 -0.000 0.000) 0.000 5.158 ( -0.000 0.000 -0.000) 0.000 5.188 ( 0.000 -0.000 0.000) 0.000 6.096 ( 0.000 -0.000 0.000) 0.000 6.101 ( -0.000 0.000 -0.000) 0.000 6.441 ( 0.000 -0.000 0.000) 0.000 6.443 ( 0.000 -0.000 0.000) 0.000 6.515 ( 0.000 -0.000 -0.000) 0.000 6.527 ( 0.000 -0.000 0.000) 0.000 7.000 ( 0.000 -0.000 0.000) 0.000 7.045 ( 0.000 -0.000 -0.000) 0.000 7.916 ( -0.000 -0.000 -0.000) 0.000 7.919 ( 0.000 -0.000 0.000) 0.000 8.355 ( 0.000 -0.000 0.000) 0.000 8.370 ( -0.000 -0.000 -0.000) 0.000 9.235 ( 0.000 -0.000 0.000) 0.000 9.243 ( -0.000 -0.000 -0.000) 0.000 10.350 ( -0.000 -0.000 -0.000) 0.000 10.354 ( 0.000 -0.000 0.000) 0.000 11.329 ( 0.000 -0.000 -0.000) 0.000 11.333 ( 0.000 -0.000 0.000) 0.000 11.911 ( 0.000 -0.000 0.000) 0.000 11.922 ( -0.000 -0.000 -0.000) 0.000 13.679 ( -0.000 -0.000 -0.000) 0.000 13.683 ( 0.000 -0.000 0.000) 0.000 14.123 ( -0.000 -0.000 -0.000) 0.000 14.134 ( 0.000 -0.000 0.000) 0.000 14.441 ( 0.000 -0.000 0.000) 0.000 14.442 ( 0.000 -0.000 0.000) 0.000 19.527 ( 0.000 -0.000 0.000) 0.000 19.604 ( 0.000 -0.000 0.000) 0.000 19.878 ( 0.000 -0.000 0.000) 0.000 19.941 ( 0.000 -0.000 0.000) 0.000 20.004 ( 0.000 -0.000 0.000) 0.000 20.025 ( 0.000 -0.000 -0.000) 0.000 21.533 ( -0.000 -0.000 -0.000) 0.000 21.579 ( 0.000 -0.000 0.000) 0.000 21.871 ( 0.000 -0.000 0.000) 0.000 21.933 ( 0.000 -0.000 0.000) 0.000 22.299 ( 0.000 -0.000 0.000) 0.000 22.379 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/93) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 14.034 0.000 10.709) 17.653 0.494 ( 17.912 0.000 15.556) 23.723 1.152 ( 41.849 0.000 32.975) 53.280 1.376 ( 1.966 0.000 2.041) 2.834 1.519 ( -3.357 -0.000 -9.117) 9.715 1.877 ( 0.539 0.000 4.446) 4.478 2.227 ( 6.949 0.000 7.508) 10.230 2.274 ( -6.042 -0.000 -3.159) 6.818 2.475 ( -4.291 -0.000 -13.861) 14.510 2.615 ( -0.826 -0.000 -0.067) 0.828 2.681 ( -1.652 -0.000 -5.297) 5.549 2.803 ( -0.319 -0.000 -9.965) 9.970 2.850 ( 0.355 0.000 0.147) 0.384 3.022 ( -9.388 -0.000 -0.067) 9.388 3.083 ( 2.057 0.000 2.453) 3.201 3.258 ( -1.626 -0.000 -1.658) 2.323 3.330 ( 14.735 0.000 15.518) 21.399 3.413 ( 3.330 0.000 -7.078) 7.822 3.473 ( 2.893 0.000 0.609) 2.956 3.525 ( 1.778 0.000 0.326) 1.807 3.679 ( 0.299 0.000 7.774) 7.780 3.709 ( -1.619 -0.000 -1.929) 2.518 3.807 ( -4.630 -0.000 7.785) 9.058 4.552 ( 0.683 0.000 1.494) 1.643 4.581 ( -6.576 -0.000 -6.245) 9.069 4.830 ( -14.799 -0.000 -16.480) 22.150 4.941 ( -4.009 -0.000 -7.801) 8.771 5.190 ( 0.698 0.000 -3.819) 3.882 6.034 ( 3.065 0.000 1.789) 3.549 6.117 ( 4.783 0.000 3.753) 6.080 6.392 ( 2.025 0.000 1.346) 2.432 6.416 ( 2.314 0.000 4.243) 4.833 6.496 ( 0.514 0.000 1.297) 1.396 6.706 ( -7.478 -0.000 -1.163) 7.568 7.002 ( 0.539 0.000 2.471) 2.529 7.046 ( -0.676 -0.000 0.924) 1.145 7.830 ( 0.901 0.000 1.542) 1.786 7.973 ( -0.816 -0.000 -0.856) 1.183 8.222 ( 5.553 0.000 6.303) 8.400 8.481 ( -3.024 -0.000 -3.746) 4.814 9.045 ( 4.950 0.000 5.399) 7.325 9.402 ( -4.172 -0.000 -4.746) 6.319 10.209 ( 3.221 0.000 3.947) 5.094 10.553 ( -5.458 -0.000 -6.154) 8.226 11.307 ( -0.016 -0.000 0.458) 0.458 11.323 ( -0.066 -0.000 0.721) 0.724 11.867 ( 1.762 0.000 2.588) 3.130 11.986 ( -1.452 -0.000 -2.040) 2.504 13.654 ( 0.899 0.000 1.233) 1.526 13.725 ( -1.771 -0.000 0.013) 1.771 14.108 ( 0.906 0.000 0.999) 1.349 14.163 ( -0.624 -0.000 -0.765) 0.987 14.447 ( 0.057 0.000 0.044) 0.072 14.452 ( -0.029 -0.000 -0.055) 0.062 19.536 ( -0.967 -0.000 -0.012) 0.967 19.721 ( -7.966 -0.000 11.248) 13.783 19.951 ( -0.134 -0.000 0.768) 0.780 19.985 ( -2.490 -0.000 1.253) 2.787 20.016 ( 0.658 0.000 1.058) 1.246 20.195 ( -0.941 -0.000 -1.185) 1.513 21.506 ( 1.288 0.000 1.131) 1.714 21.636 ( -0.365 -0.000 -5.825) 5.836 21.819 ( 5.650 0.000 -2.822) 6.315 21.893 ( 0.627 0.000 -1.384) 1.520 22.099 ( 3.807 0.000 5.413) 6.618 22.584 ( -5.214 -0.000 -4.105) 6.636 ======================= Grid point 11 (7/93) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 12.616 -12.913 4.235) 18.543 0.814 ( 11.805 -10.025 14.210) 21.019 1.410 ( 3.915 -0.363 1.020) 4.062 1.472 ( -1.244 -2.704 -7.823) 8.370 1.668 ( 30.270 -2.761 23.869) 38.648 1.935 ( 2.583 -0.303 6.581) 7.077 2.087 ( -4.417 6.721 -4.264) 9.103 2.259 ( -8.070 0.500 -1.126) 8.163 2.394 ( -2.537 3.901 -6.948) 8.362 2.565 ( -3.836 3.088 -3.387) 5.977 2.658 ( 4.780 -4.124 3.306) 7.126 2.760 ( 0.512 1.712 -7.626) 7.833 2.893 ( 0.031 -4.885 -2.909) 5.685 2.922 ( -5.049 3.133 0.129) 5.944 2.983 ( -7.078 4.660 -1.924) 8.690 3.237 ( 3.026 3.000 3.340) 5.414 3.413 ( 2.277 -1.766 -6.610) 7.211 3.459 ( 6.696 1.264 8.366) 10.790 3.560 ( 3.553 -0.579 4.014) 5.392 3.656 ( 0.993 3.209 -3.649) 4.960 3.703 ( -0.086 -0.164 6.982) 6.984 3.735 ( 5.533 -8.742 6.514) 12.226 3.850 ( -3.755 -3.636 3.316) 6.190 4.399 ( -18.989 0.225 -24.527) 31.019 4.554 ( -1.073 1.767 1.421) 2.508 4.635 ( -6.927 -2.794 -3.832) 8.395 4.991 ( 4.328 -2.392 1.431) 5.148 5.181 ( 0.773 -0.581 -3.742) 3.865 6.066 ( 2.528 0.029 0.976) 2.710 6.137 ( 0.453 0.363 -1.425) 1.538 6.419 ( 2.576 0.350 2.469) 3.585 6.468 ( 2.389 -0.232 3.964) 4.634 6.510 ( 0.805 0.229 2.081) 2.243 6.614 ( -6.731 1.280 -3.484) 7.687 7.005 ( 0.009 0.789 1.861) 2.022 7.047 ( -0.953 -0.252 0.745) 1.235 7.851 ( 1.286 -0.336 2.054) 2.447 7.963 ( -0.994 -0.048 -0.858) 1.314 8.302 ( 5.861 0.455 6.719) 8.927 8.424 ( -4.554 -0.151 -5.559) 7.187 9.134 ( 6.419 -0.358 7.034) 9.529 9.328 ( -5.779 -0.063 -6.736) 8.876 10.268 ( 4.692 0.025 5.678) 7.366 10.462 ( -6.203 0.324 -7.091) 9.427 11.312 ( -0.099 -0.287 0.503) 0.588 11.326 ( -0.210 -0.108 0.548) 0.597 11.893 ( 2.686 0.579 2.914) 4.005 11.957 ( -2.039 0.103 -2.846) 3.503 13.670 ( 1.160 0.109 1.588) 1.969 13.705 ( -1.495 0.245 -0.849) 1.737 14.121 ( 1.081 0.184 1.199) 1.625 14.151 ( -0.843 0.122 -1.026) 1.334 14.447 ( 0.067 0.106 0.051) 0.135 14.450 ( -0.033 0.155 -0.064) 0.171 19.527 ( -1.693 -0.305 -0.370) 1.759 19.665 ( -1.258 4.203 6.859) 8.142 19.940 ( -0.683 1.092 -0.140) 1.296 19.977 ( -0.950 -0.485 0.822) 1.346 20.019 ( 0.803 1.126 1.191) 1.825 20.154 ( -1.065 2.533 -1.449) 3.106 21.527 ( 2.057 0.172 1.816) 2.750 21.596 ( -0.744 0.408 -3.968) 4.057 21.843 ( 4.325 0.426 1.358) 4.553 21.920 ( -0.248 -1.901 -3.123) 3.664 22.174 ( 4.041 -0.902 6.327) 7.562 22.499 ( -7.059 0.661 -5.628) 9.052 ======================= Grid point 12 (8/93) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 8.852 -10.270 1.835) 13.682 1.154 ( 6.376 -11.009 7.877) 14.963 1.457 ( 2.512 -0.986 0.455) 2.736 1.519 ( 2.133 -5.416 -4.155) 7.152 1.805 ( -8.217 2.567 -5.153) 10.033 1.936 ( 6.564 7.012 0.860) 9.643 2.044 ( 5.577 4.111 4.251) 8.128 2.211 ( 1.536 -0.028 -0.134) 1.542 2.277 ( -2.386 -1.057 0.943) 2.775 2.474 ( -2.910 2.758 -0.621) 4.058 2.639 ( -2.436 5.446 -5.306) 7.984 2.796 ( -0.359 0.437 2.468) 2.532 2.843 ( 0.522 1.682 2.644) 3.177 2.852 ( -10.450 -5.776 -1.492) 12.033 3.029 ( 2.923 -6.670 -0.920) 7.340 3.183 ( -2.303 4.703 -2.542) 5.821 3.376 ( 0.035 2.189 -5.709) 6.115 3.536 ( 5.826 0.632 3.657) 6.908 3.593 ( 1.794 0.236 2.181) 2.834 3.643 ( 4.365 -0.449 -0.834) 4.467 3.685 ( -3.056 1.827 0.271) 3.571 3.866 ( -1.468 -1.033 3.461) 3.898 4.029 ( 14.893 -3.497 15.710) 21.927 4.101 ( -17.152 -0.758 -19.177) 25.739 4.504 ( -3.578 1.005 0.173) 3.720 4.689 ( 2.778 -2.226 4.597) 5.814 5.082 ( 3.015 -2.915 1.334) 4.401 5.180 ( 0.245 -0.795 -3.544) 3.640 6.087 ( 1.441 -0.158 0.029) 1.450 6.112 ( -1.338 0.306 -3.055) 3.349 6.445 ( 1.904 0.464 2.199) 2.946 6.473 ( -1.249 0.688 -0.662) 1.572 6.518 ( -5.757 0.529 -4.313) 7.213 6.546 ( 3.409 0.637 5.032) 6.112 7.000 ( -0.570 0.206 0.652) 0.890 7.044 ( -1.104 -0.107 0.114) 1.115 7.886 ( 1.615 -0.711 2.291) 2.892 7.945 ( -1.219 0.485 -1.099) 1.711 8.347 ( -5.965 -0.206 -7.129) 9.298 8.379 ( 5.391 0.329 6.168) 8.199 9.232 ( 1.715 -0.146 1.659) 2.390 9.239 ( -1.789 -0.205 -2.205) 2.847 10.348 ( 5.778 0.018 6.882) 8.987 10.366 ( -5.781 0.384 -6.557) 8.750 11.319 ( -0.241 -0.372 0.283) 0.526 11.329 ( -0.195 -0.212 0.309) 0.423 11.918 ( -1.467 0.259 -2.169) 2.632 11.925 ( 1.762 0.241 1.701) 2.461 13.683 ( -1.010 0.189 -0.847) 1.332 13.687 ( 0.904 0.167 1.267) 1.565 14.129 ( 0.055 0.301 0.030) 0.307 14.137 ( 0.040 0.131 0.009) 0.137 14.445 ( 0.025 0.176 0.001) 0.178 14.446 ( 0.009 0.194 -0.012) 0.195 19.514 ( -2.096 -0.552 -1.080) 2.421 19.638 ( 0.746 2.051 3.908) 4.476 19.912 ( -0.325 1.321 0.032) 1.361 19.981 ( -0.528 0.112 0.492) 0.730 20.006 ( 0.480 1.226 0.403) 1.376 20.083 ( -0.715 3.083 -1.057) 3.337 21.544 ( 1.004 0.609 0.112) 1.180 21.577 ( 0.738 -0.115 -0.075) 0.751 21.878 ( 2.717 0.263 1.078) 2.935 21.926 ( 0.155 -0.602 -1.722) 1.831 22.261 ( 3.281 -1.352 5.183) 6.281 22.393 ( -6.804 0.485 -5.513) 8.771 ======================= Grid point 13 (9/93) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -0.033 -3.107 -2.333) 3.885 1.394 ( 2.328 -9.018 0.356) 9.321 1.467 ( -3.244 0.250 -0.311) 3.268 1.606 ( -5.216 1.822 -4.915) 7.395 1.662 ( 1.710 -2.777 -1.928) 3.789 1.890 ( 1.151 3.848 1.480) 4.280 1.933 ( 3.316 2.587 -6.911) 8.090 2.237 ( -4.204 2.218 1.546) 4.998 2.323 ( 4.552 -2.901 3.129) 6.239 2.417 ( 0.720 3.231 1.607) 3.680 2.527 ( -2.128 2.031 -2.142) 3.639 2.775 ( -3.874 -0.170 0.927) 3.987 2.799 ( -3.565 -3.700 -2.826) 5.864 2.908 ( -5.727 6.016 -2.054) 8.557 3.012 ( -6.160 -5.076 -5.946) 9.953 3.189 ( 3.604 -4.253 -0.795) 5.631 3.310 ( 1.405 3.283 -2.413) 4.310 3.520 ( -2.774 3.926 -0.699) 4.858 3.605 ( -4.266 3.863 -4.795) 7.491 3.639 ( 4.572 -0.356 5.414) 7.095 3.691 ( 3.805 -1.870 -1.558) 4.517 3.842 ( -1.643 -1.309 -4.563) 5.023 3.998 ( -3.958 -2.401 1.433) 4.846 4.341 ( 20.783 -0.948 23.346) 31.271 4.472 ( -1.936 0.261 1.466) 2.442 4.777 ( 5.436 -0.305 5.600) 7.810 5.148 ( 1.321 -1.350 -0.467) 1.946 5.173 ( -1.025 -0.815 -1.387) 1.908 6.075 ( -2.153 0.113 -3.258) 3.907 6.093 ( -0.818 -0.451 -1.990) 2.198 6.425 ( -2.272 1.135 -2.117) 3.306 6.441 ( -3.689 -0.278 -3.312) 4.965 6.478 ( 1.212 0.171 1.434) 1.885 6.590 ( 3.068 0.615 4.111) 5.167 6.993 ( -0.752 -0.097 -0.813) 1.112 7.037 ( -1.191 -0.267 -0.329) 1.264 7.913 ( -1.139 0.824 -1.150) 1.816 7.928 ( 1.593 -0.674 2.035) 2.671 8.252 ( -7.065 -0.317 -8.346) 10.939 8.451 ( 4.717 0.128 5.425) 7.190 9.141 ( -6.267 -0.122 -7.438) 9.727 9.327 ( 5.495 -0.150 6.273) 8.341 10.282 ( -4.641 0.378 -5.267) 7.030 10.438 ( 6.099 -0.084 7.187) 9.427 11.324 ( -0.361 -0.294 -0.069) 0.470 11.333 ( -0.102 -0.134 0.074) 0.184 11.878 ( -2.452 0.067 -3.122) 3.970 11.954 ( 2.183 0.202 2.357) 3.219 13.663 ( -1.169 0.080 -1.253) 1.716 13.702 ( 1.157 0.182 1.443) 1.859 14.114 ( -0.913 0.181 -1.095) 1.438 14.145 ( 0.862 0.145 1.006) 1.333 14.442 ( -0.010 0.126 -0.029) 0.130 14.443 ( 0.032 0.141 0.025) 0.147 19.500 ( -2.162 -0.721 -1.940) 2.993 19.632 ( 0.810 1.334 1.837) 2.411 19.894 ( 0.554 0.939 0.967) 1.457 19.960 ( -0.188 1.706 0.114) 1.720 19.994 ( -0.204 0.039 -0.638) 0.671 20.036 ( -0.348 1.103 -0.228) 1.179 21.528 ( -0.647 0.423 -1.332) 1.540 21.603 ( 2.749 0.239 2.844) 3.963 21.879 ( 0.091 0.869 -1.023) 1.345 21.935 ( 0.937 -0.094 0.747) 1.202 22.265 ( -5.039 0.186 -4.526) 6.776 22.383 ( 2.561 -1.989 3.448) 4.733 ======================= Grid point 14 (10/93) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -12.659 3.501 -9.613) 16.276 1.340 ( -4.740 9.423 -5.092) 11.713 1.414 ( -9.372 2.247 -3.016) 10.098 1.590 ( 0.251 -8.166 -0.350) 8.178 1.749 ( 4.561 0.513 2.825) 5.390 1.892 ( 4.119 0.538 -6.424) 7.650 1.921 ( 4.046 -0.766 2.147) 4.644 2.237 ( 1.661 -1.717 4.264) 4.887 2.357 ( -4.899 -0.100 -1.626) 5.163 2.387 ( 3.201 2.153 4.831) 6.182 2.518 ( -4.911 -5.097 -5.036) 8.687 2.649 ( -4.578 4.788 -7.745) 10.192 2.755 ( 1.243 1.966 -4.204) 4.805 2.894 ( -0.991 -5.137 1.045) 5.335 3.037 ( -6.397 -2.359 -1.532) 6.988 3.236 ( 3.456 2.050 -1.966) 4.473 3.265 ( 0.545 -0.640 -1.307) 1.554 3.404 ( -5.751 4.851 0.068) 7.524 3.464 ( -5.380 0.163 -5.330) 7.575 3.699 ( 2.834 0.241 2.360) 3.696 3.765 ( 4.311 -1.324 2.683) 5.247 3.886 ( 2.439 -2.833 1.470) 4.016 4.020 ( -0.560 -0.345 1.302) 1.459 4.477 ( -0.170 -0.488 2.713) 2.761 4.620 ( 14.841 1.344 15.487) 21.492 4.874 ( 10.162 0.463 10.253) 14.443 5.136 ( 0.902 1.156 0.279) 1.493 5.198 ( -0.176 -0.915 1.915) 2.130 6.036 ( -2.634 0.061 -2.924) 3.936 6.057 ( -5.502 -0.926 -6.599) 8.642 6.383 ( -1.406 0.571 -1.647) 2.239 6.403 ( -2.026 -0.091 -2.306) 3.070 6.504 ( 1.602 -0.556 1.354) 2.170 6.621 ( 2.051 0.289 2.489) 3.238 6.985 ( -0.362 -0.229 -1.311) 1.379 7.029 ( -1.261 -0.393 -0.736) 1.512 7.878 ( -0.966 1.142 -1.137) 1.879 7.964 ( 1.350 -0.583 1.597) 2.171 8.158 ( -6.478 -0.725 -7.636) 10.040 8.508 ( 3.345 0.249 3.905) 5.148 9.058 ( -4.926 -0.014 -5.671) 7.512 9.400 ( 3.943 -0.175 4.526) 6.005 10.218 ( -3.103 0.317 -3.587) 4.754 10.527 ( 5.250 -0.250 6.153) 8.092 11.323 ( -0.373 -0.171 -0.375) 0.556 11.332 ( -0.042 0.155 -0.109) 0.194 11.842 ( -2.165 0.035 -2.502) 3.309 11.979 ( 1.506 0.031 1.769) 2.324 13.647 ( -0.881 -0.013 -1.024) 1.351 13.715 ( 0.900 0.117 1.035) 1.376 14.099 ( -0.777 0.037 -0.926) 1.210 14.155 ( 0.645 0.016 0.772) 1.006 14.441 ( 0.001 -0.031 -0.005) 0.032 14.442 ( 0.006 0.046 0.006) 0.047 19.481 ( -2.061 -0.466 -2.616) 3.363 19.618 ( 0.440 1.473 0.541) 1.630 19.896 ( 0.944 0.389 1.203) 1.578 19.943 ( 0.026 -0.267 0.211) 0.341 19.996 ( -0.315 -1.080 -0.661) 1.305 20.021 ( -0.259 0.429 -0.165) 0.527 21.509 ( -0.711 0.332 -0.960) 1.240 21.639 ( 3.036 0.494 3.522) 4.676 21.842 ( -1.621 1.387 -2.206) 3.069 21.949 ( 0.250 -0.239 1.339) 1.383 22.196 ( -3.616 0.432 -4.236) 5.586 22.469 ( 3.149 -2.417 3.224) 5.114 ======================= Grid point 15 (11/93) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -17.906 6.972 -12.137) 22.727 1.039 ( -5.456 15.201 -2.067) 16.283 1.304 ( -5.800 0.025 -4.597) 7.401 1.639 ( 1.411 15.397 -1.387) 15.524 1.746 ( 1.538 -0.201 2.288) 2.764 1.840 ( 4.416 -1.611 1.119) 4.832 2.006 ( 1.467 -0.533 -1.252) 2.002 2.297 ( -0.099 -2.752 -3.064) 4.120 2.341 ( -1.671 -1.639 3.175) 3.945 2.444 ( -0.470 -7.759 -2.062) 8.043 2.563 ( -6.725 -6.736 9.085) 13.158 2.612 ( 6.155 -1.765 -7.120) 9.576 2.730 ( 1.986 -1.270 -7.365) 7.733 2.862 ( -4.129 4.416 -0.232) 6.050 3.010 ( -3.437 0.632 0.295) 3.507 3.202 ( 3.162 4.352 -4.517) 7.024 3.272 ( -4.594 -0.096 0.867) 4.676 3.378 ( 1.618 -6.518 1.957) 6.995 3.438 ( -2.886 -2.481 -1.491) 4.087 3.704 ( 0.498 1.850 1.811) 2.637 3.802 ( 2.028 2.395 1.887) 3.662 3.984 ( 3.626 -3.398 3.098) 5.856 4.004 ( 0.117 2.097 -0.588) 2.181 4.506 ( 0.832 -0.702 1.984) 2.264 4.691 ( 4.722 3.135 2.950) 6.390 4.954 ( 0.222 1.688 1.161) 2.061 5.212 ( 1.658 -0.161 1.758) 2.422 5.240 ( 12.613 -0.001 16.213) 20.541 5.967 ( -8.898 -1.434 -10.111) 13.545 6.000 ( -2.027 0.044 -1.900) 2.778 6.361 ( -0.752 0.137 -0.790) 1.100 6.386 ( -0.375 -0.015 -0.843) 0.923 6.530 ( 0.940 -0.243 0.436) 1.064 6.643 ( 1.051 -0.337 0.787) 1.356 6.982 ( 0.080 -0.106 -0.700) 0.712 7.024 ( -0.868 -0.539 -0.733) 1.258 7.846 ( -0.498 1.048 -0.691) 1.351 7.988 ( 0.796 -0.310 0.933) 1.265 8.096 ( -4.005 -1.293 -4.767) 6.359 8.538 ( 1.640 0.642 1.983) 2.652 9.000 ( -2.772 0.153 -3.026) 4.107 9.448 ( 2.081 -0.149 2.355) 3.146 10.179 ( -1.479 0.193 -1.773) 2.317 10.597 ( 3.114 -0.411 3.648) 4.814 11.320 ( -0.236 -0.051 -0.413) 0.478 11.325 ( -0.011 0.434 -0.120) 0.451 11.814 ( -1.402 0.116 -1.472) 2.036 11.997 ( 0.766 -0.153 0.984) 1.256 13.638 ( -0.479 -0.084 -0.588) 0.763 13.723 ( 0.483 0.046 0.471) 0.676 14.090 ( -0.450 -0.107 -0.530) 0.703 14.164 ( 0.338 -0.117 0.411) 0.544 14.442 ( -0.012 -0.068 -0.009) 0.069 14.443 ( 0.010 -0.179 0.013) 0.180 19.452 ( -1.791 0.250 -2.826) 3.355 19.594 ( 0.176 1.528 0.041) 1.539 19.910 ( 0.419 -0.918 0.742) 1.253 19.955 ( -0.014 -0.461 -0.335) 0.570 20.008 ( -0.036 0.537 -0.206) 0.576 20.037 ( -0.025 -3.614 0.174) 3.618 21.495 ( -0.442 0.203 -0.478) 0.682 21.674 ( 2.812 0.622 3.606) 4.615 21.783 ( -2.599 1.464 -2.866) 4.137 21.967 ( -0.187 -1.043 1.158) 1.569 22.138 ( -1.362 1.763 -2.418) 3.288 22.554 ( 2.119 -2.797 1.891) 3.986 ======================= Grid point 16 (12/93) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -0.000 10.611 -0.000) 10.611 0.701 ( -0.000 17.855 -0.000) 17.855 1.191 ( -0.000 28.759 -0.000) 28.759 1.280 ( 0.000 -1.419 0.000) 1.419 1.755 ( -0.000 3.979 -0.000) 3.979 1.949 ( 0.000 -4.652 0.000) 4.652 1.957 ( -0.000 1.605 -0.000) 1.605 2.326 ( 0.000 -2.253 0.000) 2.253 2.379 ( 0.000 -1.709 0.000) 1.709 2.661 ( 0.000 -13.116 0.000) 13.116 2.662 ( 0.000 -2.117 0.000) 2.117 2.679 ( 0.000 -1.294 0.000) 1.294 2.755 ( 0.000 -3.925 0.000) 3.925 2.803 ( 0.000 -3.914 0.000) 3.914 2.974 ( -0.000 1.108 -0.000) 1.108 3.106 ( -0.000 3.517 -0.000) 3.517 3.276 ( 0.000 -0.442 0.000) 0.442 3.413 ( -0.000 0.243 -0.000) 0.243 3.582 ( 0.000 -9.310 0.000) 9.310 3.667 ( -0.000 2.560 -0.000) 2.560 3.726 ( -0.000 6.802 -0.000) 6.802 3.929 ( -0.000 5.901 -0.000) 5.901 4.089 ( 0.000 -3.868 0.000) 3.868 4.529 ( 0.000 -0.686 0.000) 0.686 4.676 ( -0.000 1.011 -0.000) 1.011 4.901 ( -0.000 3.174 -0.000) 3.174 5.215 ( -0.000 0.314 -0.000) 0.314 5.388 ( 0.000 -0.575 0.000) 0.575 5.904 ( 0.000 -1.307 0.000) 1.307 5.985 ( -0.000 0.006 -0.000) 0.006 6.357 ( 0.000 -0.273 0.000) 0.273 6.384 ( 0.000 -0.119 0.000) 0.119 6.532 ( -0.000 0.388 -0.000) 0.388 6.657 ( 0.000 -0.472 0.000) 0.472 6.980 ( -0.000 0.154 -0.000) 0.154 7.029 ( 0.000 -0.651 0.000) 0.651 7.825 ( -0.000 0.724 -0.000) 0.724 7.999 ( 0.000 -0.179 0.000) 0.179 8.090 ( 0.000 -1.414 0.000) 1.414 8.536 ( -0.000 0.864 -0.000) 0.864 8.976 ( -0.000 0.205 -0.000) 0.205 9.465 ( 0.000 -0.038 0.000) 0.038 10.166 ( -0.000 0.055 -0.000) 0.055 10.629 ( 0.000 -0.439 0.000) 0.439 11.316 ( -0.000 0.518 -0.000) 0.518 11.318 ( -0.000 0.033 -0.000) 0.033 11.800 ( -0.000 0.223 -0.000) 0.223 12.007 ( 0.000 -0.247 0.000) 0.247 13.636 ( 0.000 -0.109 0.000) 0.109 13.726 ( -0.000 0.014 -0.000) 0.014 14.089 ( 0.000 -0.170 0.000) 0.170 14.169 ( 0.000 -0.172 0.000) 0.172 14.443 ( 0.000 -0.124 0.000) 0.124 14.447 ( 0.000 -0.239 0.000) 0.239 19.418 ( -0.000 1.083 -0.000) 1.083 19.569 ( -0.000 1.288 -0.000) 1.288 19.943 ( 0.000 -1.969 0.000) 1.969 19.955 ( -0.000 0.157 -0.000) 0.157 19.998 ( -0.000 0.443 -0.000) 0.443 20.116 ( 0.000 -4.449 0.000) 4.449 21.490 ( -0.000 0.049 -0.000) 0.049 21.695 ( -0.000 0.473 -0.000) 0.473 21.727 ( -0.000 1.361 -0.000) 1.361 21.995 ( 0.000 -1.618 0.000) 1.618 22.085 ( -0.000 2.461 -0.000) 2.461 22.620 ( 0.000 -2.575 0.000) 2.575 ======================= Grid point 19 (13/93) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 15.002 0.000 13.114) 19.926 0.922 ( 12.083 0.000 14.875) 19.164 1.387 ( -0.874 -0.000 -7.158) 7.212 1.436 ( 4.938 0.000 -2.104) 5.368 1.933 ( -3.786 -0.000 -5.252) 6.474 2.009 ( 4.342 0.000 7.827) 8.950 2.081 ( 13.853 0.000 14.260) 19.881 2.287 ( -2.823 -0.000 -0.794) 2.933 2.353 ( -0.282 -0.000 -5.341) 5.348 2.556 ( -9.017 -0.000 -7.203) 11.541 2.579 ( -0.414 -0.000 -9.590) 9.599 2.729 ( 3.242 0.000 -7.012) 7.725 2.819 ( -7.593 -0.000 0.164) 7.595 2.865 ( -0.975 -0.000 -0.138) 0.985 3.027 ( -3.870 -0.000 -1.168) 4.042 3.228 ( -0.028 -0.000 -0.635) 0.636 3.361 ( -3.214 -0.000 -8.077) 8.693 3.554 ( 4.097 0.000 0.111) 4.098 3.575 ( 1.698 0.000 2.635) 3.135 3.673 ( 0.549 0.000 -1.029) 1.166 3.775 ( 1.073 0.000 8.583) 8.650 3.790 ( -3.989 -0.000 3.662) 5.415 3.927 ( 23.871 0.000 27.802) 36.643 4.087 ( -17.873 -0.000 -23.060) 29.176 4.519 ( -5.335 -0.000 -1.961) 5.684 4.640 ( 4.351 0.000 6.600) 7.905 5.017 ( 4.587 0.000 1.628) 4.868 5.158 ( 0.373 0.000 -4.369) 4.385 6.085 ( 1.471 0.000 -0.435) 1.534 6.119 ( -1.453 -0.000 -3.967) 4.225 6.459 ( 2.527 0.000 2.365) 3.461 6.479 ( -0.279 -0.000 0.179) 0.332 6.536 ( -7.794 -0.000 -5.114) 9.322 6.559 ( 3.199 0.000 5.266) 6.162 7.022 ( -0.896 -0.000 1.302) 1.581 7.029 ( -2.052 -0.000 0.003) 2.052 7.872 ( 1.489 0.000 2.257) 2.704 7.952 ( -0.893 -0.000 -0.505) 1.025 8.345 ( -5.840 -0.000 -7.034) 9.142 8.386 ( 5.047 0.000 5.577) 7.521 9.226 ( 6.727 0.000 7.391) 9.993 9.234 ( -6.629 -0.000 -7.926) 10.332 10.349 ( 5.808 0.000 6.990) 9.088 10.375 ( -5.918 -0.000 -6.671) 8.917 11.311 ( -0.246 -0.000 0.558) 0.610 11.324 ( -0.411 -0.000 0.323) 0.523 11.922 ( -2.415 -0.000 -3.395) 4.166 11.935 ( 2.409 0.000 2.612) 3.553 13.688 ( -1.602 -0.000 -1.115) 1.952 13.690 ( 1.239 0.000 1.762) 2.154 14.138 ( -0.972 -0.000 -1.166) 1.518 14.139 ( 1.101 0.000 1.202) 1.630 14.449 ( 0.081 0.000 0.062) 0.102 14.451 ( -0.040 -0.000 -0.078) 0.088 19.502 ( -2.585 -0.000 -0.907) 2.739 19.708 ( -2.891 -0.000 3.290) 4.380 19.944 ( -2.326 -0.000 -0.645) 2.414 19.963 ( 0.357 0.000 1.120) 1.175 20.049 ( 0.839 0.000 1.960) 2.132 20.159 ( -1.280 -0.000 -1.672) 2.106 21.564 ( 3.134 0.000 2.961) 4.312 21.573 ( -0.687 -0.000 -3.513) 3.579 21.888 ( 1.071 0.000 -1.939) 2.215 21.895 ( 4.157 0.000 0.960) 4.266 22.235 ( 3.832 0.000 6.451) 7.503 22.404 ( -8.505 -0.000 -6.672) 10.809 ======================= Grid point 20 (14/93) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 11.929 -4.697 9.727) 16.092 1.131 ( 6.974 -4.770 11.400) 14.190 1.398 ( 0.736 -4.521 -3.871) 5.997 1.463 ( 3.308 -0.793 -5.148) 6.171 1.752 ( -10.294 3.360 -7.704) 13.289 2.084 ( 3.537 1.838 1.860) 4.399 2.169 ( -0.499 5.357 -5.565) 7.740 2.234 ( -0.607 4.599 -2.886) 5.463 2.280 ( 2.872 -0.251 3.993) 4.925 2.467 ( -2.298 -0.687 -3.626) 4.348 2.615 ( -6.756 -6.144 -3.589) 9.812 2.653 ( -3.576 2.304 -6.181) 7.503 2.772 ( -5.816 0.264 -3.496) 6.791 2.897 ( -0.157 -7.343 -3.070) 7.961 2.968 ( 3.690 6.048 6.455) 9.584 3.193 ( -7.586 3.560 -5.984) 10.297 3.332 ( 2.256 -4.658 -4.550) 6.891 3.587 ( 3.154 -0.945 1.201) 3.505 3.620 ( 0.689 0.101 1.688) 1.826 3.658 ( 2.662 0.189 -1.163) 2.911 3.722 ( -3.364 3.813 2.660) 5.738 3.850 ( -1.913 -0.349 -2.031) 2.812 3.893 ( -6.807 -1.491 -4.018) 8.044 4.305 ( 24.505 -0.641 28.720) 37.759 4.477 ( -3.319 -0.181 -0.097) 3.325 4.736 ( 5.787 -1.192 8.523) 10.371 5.077 ( 3.788 -1.467 1.484) 4.325 5.140 ( -0.619 -0.782 -4.787) 4.889 6.078 ( -2.083 0.062 -4.538) 4.993 6.083 ( -0.659 -0.126 -2.759) 2.840 6.441 ( -5.976 0.223 -4.403) 7.426 6.466 ( -1.023 0.759 -0.495) 1.366 6.489 ( 1.097 0.068 1.277) 1.685 6.609 ( 2.717 0.304 4.403) 5.183 6.999 ( -1.693 0.521 -0.366) 1.809 7.024 ( -1.951 -0.497 -0.124) 2.017 7.901 ( 1.612 -0.415 2.206) 2.764 7.939 ( -0.890 0.320 -0.512) 1.075 8.250 ( -6.555 0.086 -7.875) 10.246 8.451 ( 4.065 -0.037 4.448) 6.026 9.136 ( -6.324 -0.116 -7.695) 9.961 9.320 ( 5.688 -0.179 6.302) 8.491 10.294 ( -4.779 0.226 -5.302) 7.142 10.439 ( 6.094 0.048 7.272) 9.488 11.313 ( -0.415 -0.199 0.335) 0.569 11.324 ( -0.367 -0.213 0.148) 0.449 11.881 ( -2.463 0.056 -3.444) 4.235 11.965 ( 2.145 0.287 2.230) 3.108 13.668 ( -1.315 0.128 -1.139) 1.744 13.709 ( 1.134 0.135 1.607) 1.971 14.122 ( -0.941 0.163 -1.116) 1.469 14.152 ( 0.937 0.155 1.031) 1.401 14.448 ( -0.009 0.151 -0.041) 0.157 14.449 ( 0.046 0.111 0.026) 0.123 19.475 ( -2.887 -0.452 -1.524) 3.296 19.688 ( -1.022 1.367 2.106) 2.710 19.919 ( -1.411 0.267 -0.477) 1.513 19.977 ( 0.452 -0.246 0.905) 1.041 20.049 ( 0.734 1.682 1.455) 2.342 20.118 ( -1.210 2.155 -1.529) 2.907 21.547 ( -0.483 0.462 -2.062) 2.167 21.612 ( 3.860 0.191 3.707) 5.355 21.891 ( 0.868 -0.227 -1.673) 1.899 21.935 ( 3.243 -0.005 1.171) 3.448 22.278 ( -5.485 0.717 -3.579) 6.589 22.317 ( -0.045 -1.398 2.105) 2.527 ======================= Grid point 21 (15/93) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.885 -0.931 1.810) 3.531 1.286 ( 1.826 -4.423 0.600) 4.823 1.402 ( -5.900 -0.121 -2.829) 6.544 1.554 ( 4.786 -7.947 -1.867) 9.463 1.621 ( -1.847 1.512 -2.599) 3.528 1.950 ( -3.505 7.120 -7.295) 10.779 2.046 ( 4.101 5.067 0.115) 6.520 2.256 ( -1.857 2.287 1.399) 3.261 2.273 ( 1.257 -3.873 -4.522) 6.085 2.427 ( -9.362 -1.823 -5.458) 10.989 2.514 ( -2.136 4.592 0.648) 5.106 2.630 ( -5.675 -5.534 -2.900) 8.440 2.809 ( 0.625 -4.141 -3.392) 5.389 2.903 ( -0.311 5.025 4.299) 6.620 2.969 ( -3.990 3.561 -2.631) 5.960 3.079 ( -0.104 -6.227 -4.298) 7.567 3.389 ( 3.581 2.526 2.012) 4.822 3.576 ( -3.312 4.037 0.284) 5.229 3.613 ( -1.338 1.890 -2.932) 3.736 3.667 ( 1.293 -0.922 -2.234) 2.740 3.698 ( 2.994 -0.128 3.562) 4.655 3.777 ( -0.238 -1.492 -3.453) 3.770 3.945 ( -0.976 -2.801 3.768) 4.795 4.464 ( -1.252 -0.438 2.144) 2.521 4.649 ( 19.268 0.277 21.332) 28.747 4.872 ( 8.974 -0.866 11.715) 14.783 5.125 ( -0.324 -1.188 -3.345) 3.564 5.142 ( 1.924 -1.734 1.524) 3.005 6.031 ( -3.740 -0.148 -6.007) 7.078 6.040 ( -3.980 -0.206 -5.615) 6.885 6.388 ( -2.250 -0.199 -1.294) 2.603 6.435 ( -0.837 1.372 -0.460) 1.671 6.495 ( 0.024 0.020 0.143) 0.146 6.640 ( 1.721 0.573 2.908) 3.427 6.977 ( -1.178 -0.032 -1.229) 1.702 7.014 ( -1.867 -0.443 -0.539) 1.993 7.915 ( -0.704 0.751 -0.524) 1.155 7.940 ( 1.427 -0.604 1.792) 2.369 8.150 ( -6.172 0.187 -7.343) 9.594 8.506 ( 2.998 -0.279 3.310) 4.475 9.053 ( -4.848 -0.222 -5.912) 7.649 9.393 ( 3.928 -0.142 4.420) 5.915 10.230 ( -3.240 0.312 -3.566) 4.828 10.524 ( 5.212 0.035 6.174) 8.080 11.314 ( -0.493 -0.261 -0.016) 0.558 11.327 ( -0.200 -0.326 0.034) 0.384 11.843 ( -2.058 0.030 -2.797) 3.473 11.986 ( 1.571 0.306 1.630) 2.285 13.650 ( -0.926 0.139 -0.926) 1.317 13.722 ( 0.880 0.218 1.185) 1.492 14.105 ( -0.760 0.237 -0.899) 1.201 14.160 ( 0.675 0.220 0.763) 1.042 14.445 ( -0.013 0.190 -0.037) 0.194 14.447 ( 0.040 0.183 0.029) 0.190 19.456 ( -2.299 -0.818 -1.726) 2.989 19.670 ( 0.043 1.252 1.189) 1.728 19.909 ( -0.472 -0.144 0.270) 0.563 19.983 ( 0.719 0.849 0.685) 1.306 20.022 ( 0.458 2.282 0.533) 2.387 20.055 ( -1.183 2.231 -1.192) 2.793 21.526 ( -0.396 0.525 -1.106) 1.287 21.660 ( 4.019 0.631 3.893) 5.631 21.884 ( -0.105 0.584 -1.459) 1.575 21.960 ( 2.041 0.515 1.150) 2.399 22.182 ( -6.766 -0.524 -5.678) 8.848 22.386 ( 2.242 -1.955 3.516) 4.605 ======================= Grid point 22 (16/93) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -7.605 6.575 -7.262) 12.402 1.285 ( -5.559 -0.778 -5.485) 7.848 1.460 ( 1.334 -3.717 1.092) 4.098 1.534 ( 0.678 5.804 2.155) 6.228 1.748 ( 3.085 -6.167 1.280) 7.013 1.859 ( 5.537 -1.489 -3.765) 6.859 1.981 ( -3.335 1.481 0.319) 3.663 2.208 ( -2.446 0.998 -7.138) 7.611 2.282 ( -3.627 -1.192 1.447) 4.083 2.407 ( -2.971 -2.223 3.248) 4.931 2.447 ( 0.573 0.493 -2.484) 2.596 2.723 ( 1.646 8.579 -3.152) 9.287 2.750 ( -2.908 -8.997 -0.095) 9.456 2.843 ( 3.764 3.903 -2.086) 5.810 2.926 ( -5.041 -3.081 2.395) 6.375 3.202 ( 0.406 -6.083 -1.423) 6.261 3.329 ( 1.543 6.017 0.603) 6.241 3.442 ( -3.940 4.848 -2.528) 6.740 3.489 ( -1.988 6.565 0.013) 6.860 3.726 ( 3.213 -0.689 -0.607) 3.341 3.753 ( 1.018 -3.496 1.175) 3.826 3.840 ( 1.175 -4.106 0.455) 4.295 3.997 ( -0.697 -1.964 1.436) 2.531 4.485 ( 0.213 -0.674 2.259) 2.366 4.815 ( 7.886 2.388 7.327) 11.026 4.983 ( 1.448 0.304 2.237) 2.682 5.187 ( 1.788 -1.113 0.605) 2.191 5.212 ( 10.053 -1.679 12.926) 16.461 5.925 ( -8.917 -0.666 -10.893) 14.093 6.001 ( -1.814 -0.068 -2.368) 2.984 6.381 ( 0.023 0.426 0.091) 0.436 6.403 ( -0.115 1.265 0.130) 1.276 6.502 ( 0.000 -1.017 -0.070) 1.019 6.650 ( 0.675 0.583 1.274) 1.555 6.969 ( -0.301 -0.426 -0.967) 1.099 7.005 ( -1.284 -0.485 -0.553) 1.480 7.889 ( -0.470 1.152 -0.451) 1.323 7.971 ( 0.959 -0.605 1.115) 1.590 8.070 ( -3.976 -0.077 -4.681) 6.142 8.545 ( 1.629 -0.238 1.843) 2.471 9.000 ( -2.607 -0.166 -3.113) 4.064 9.440 ( 1.990 -0.201 2.267) 3.023 10.189 ( -1.591 0.326 -1.775) 2.406 10.588 ( 3.072 -0.085 3.622) 4.750 11.314 ( -0.349 -0.239 -0.210) 0.472 11.331 ( -0.066 -0.166 -0.027) 0.181 11.817 ( -1.200 0.014 -1.526) 1.941 11.998 ( 0.804 0.206 0.874) 1.206 13.638 ( -0.482 0.090 -0.527) 0.720 13.728 ( 0.488 0.216 0.611) 0.812 14.092 ( -0.431 0.195 -0.512) 0.697 14.164 ( 0.350 0.160 0.409) 0.562 14.441 ( -0.002 0.111 -0.012) 0.111 14.444 ( 0.014 0.164 0.010) 0.164 19.447 ( -1.251 -0.656 -1.243) 1.882 19.651 ( 0.159 1.432 0.396) 1.495 19.919 ( 0.535 -0.403 1.092) 1.281 19.956 ( -0.091 2.238 -0.214) 2.250 19.989 ( 0.096 1.221 -0.213) 1.243 20.024 ( -0.486 0.225 -0.361) 0.646 21.509 ( -0.265 0.530 -0.489) 0.768 21.698 ( 3.222 0.742 3.255) 4.639 21.845 ( -1.575 1.769 -2.048) 3.131 21.963 ( 0.529 0.782 0.775) 1.221 22.137 ( -2.895 -1.586 -2.905) 4.397 22.457 ( 1.409 -2.451 1.757) 3.329 ======================= Grid point 23 (17/93) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.000 8.521 -0.000) 8.521 1.245 ( -0.000 2.326 -0.000) 2.326 1.299 ( -0.000 10.969 -0.000) 10.969 1.634 ( 0.000 -7.163 0.000) 7.163 1.822 ( 0.000 -1.172 0.000) 1.172 1.927 ( -0.000 6.396 -0.000) 6.396 1.974 ( 0.000 -4.451 0.000) 4.451 2.176 ( 0.000 -4.890 0.000) 4.890 2.277 ( 0.000 -1.131 0.000) 1.131 2.423 ( 0.000 -0.243 0.000) 0.243 2.515 ( 0.000 -4.863 0.000) 4.863 2.568 ( -0.000 5.453 -0.000) 5.453 2.743 ( -0.000 2.563 -0.000) 2.563 2.910 ( -0.000 1.834 -0.000) 1.834 2.963 ( 0.000 -6.354 0.000) 6.354 3.247 ( -0.000 1.822 -0.000) 1.822 3.256 ( 0.000 -0.228 0.000) 0.228 3.363 ( -0.000 5.367 -0.000) 5.367 3.387 ( 0.000 -1.370 0.000) 1.370 3.734 ( -0.000 0.632 -0.000) 0.632 3.822 ( 0.000 -1.927 0.000) 1.927 3.927 ( 0.000 -4.461 0.000) 4.461 4.017 ( 0.000 -0.208 0.000) 0.208 4.506 ( 0.000 -0.630 0.000) 0.630 4.797 ( -0.000 4.559 -0.000) 4.559 4.975 ( -0.000 0.641 -0.000) 0.641 5.210 ( 0.000 -0.664 0.000) 0.664 5.357 ( 0.000 -1.201 0.000) 1.201 5.852 ( 0.000 -1.235 0.000) 1.235 5.987 ( -0.000 0.024 -0.000) 0.024 6.365 ( -0.000 0.844 -0.000) 0.844 6.389 ( -0.000 0.531 -0.000) 0.531 6.525 ( 0.000 -0.974 0.000) 0.974 6.648 ( -0.000 0.176 -0.000) 0.176 6.975 ( 0.000 -0.460 0.000) 0.460 7.007 ( 0.000 -0.526 0.000) 0.526 7.863 ( -0.000 1.225 -0.000) 1.225 7.988 ( 0.000 -0.439 0.000) 0.439 8.045 ( 0.000 -0.725 0.000) 0.725 8.558 ( -0.000 0.191 -0.000) 0.191 8.982 ( -0.000 0.032 -0.000) 0.032 9.459 ( 0.000 -0.252 0.000) 0.252 10.172 ( -0.000 0.277 -0.000) 0.277 10.615 ( 0.000 -0.268 0.000) 0.268 11.316 ( 0.000 -0.169 0.000) 0.169 11.331 ( -0.000 0.161 -0.000) 0.161 11.807 ( -0.000 0.091 -0.000) 0.091 12.002 ( -0.000 0.021 -0.000) 0.021 13.634 ( -0.000 0.005 -0.000) 0.005 13.729 ( -0.000 0.154 -0.000) 0.154 14.086 ( -0.000 0.052 -0.000) 0.052 14.165 ( -0.000 0.022 -0.000) 0.022 14.441 ( 0.000 -0.035 0.000) 0.035 14.442 ( -0.000 0.055 -0.000) 0.055 19.443 ( -0.000 0.054 -0.000) 0.054 19.624 ( -0.000 1.609 -0.000) 1.609 19.916 ( -0.000 1.144 -0.000) 1.144 19.944 ( 0.000 -0.842 0.000) 0.842 19.988 ( 0.000 -1.380 0.000) 1.380 20.017 ( -0.000 0.384 -0.000) 0.384 21.498 ( -0.000 0.418 -0.000) 0.418 21.714 ( -0.000 0.558 -0.000) 0.558 21.790 ( -0.000 2.021 -0.000) 2.021 21.958 ( 0.000 -0.012 0.000) 0.012 22.140 ( 0.000 -0.298 0.000) 0.298 22.516 ( 0.000 -2.787 0.000) 2.787 ======================= Grid point 28 (18/93) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 13.103 0.000 11.195) 17.234 1.184 ( 1.648 0.000 9.216) 9.362 1.338 ( 1.679 0.000 -3.410) 3.801 1.450 ( 2.462 0.000 -7.872) 8.248 1.664 ( -8.418 -0.000 -3.860) 9.261 2.115 ( 0.190 0.000 -5.277) 5.281 2.165 ( -3.311 -0.000 2.599) 4.210 2.212 ( -2.944 -0.000 -12.782) 13.117 2.351 ( -10.136 -0.000 -3.522) 10.730 2.370 ( 2.637 0.000 2.033) 3.329 2.545 ( 2.892 0.000 -4.244) 5.135 2.608 ( -5.094 -0.000 -2.050) 5.491 2.726 ( -1.133 -0.000 -8.744) 8.818 2.756 ( -5.393 -0.000 -0.551) 5.421 3.107 ( -8.689 -0.000 -7.709) 11.616 3.149 ( 8.702 0.000 7.645) 11.583 3.273 ( 3.149 0.000 0.102) 3.151 3.610 ( 2.274 0.000 1.071) 2.514 3.621 ( 0.708 0.000 1.601) 1.750 3.674 ( 0.586 0.000 -0.641) 0.868 3.757 ( -2.714 -0.000 1.580) 3.141 3.806 ( -1.339 -0.000 -3.206) 3.475 3.871 ( -0.675 -0.000 4.641) 4.690 4.450 ( -2.026 -0.000 0.326) 2.052 4.652 ( 19.944 0.000 22.948) 30.403 4.841 ( 9.542 0.000 13.783) 16.763 5.095 ( -1.056 -0.000 -5.078) 5.186 5.106 ( 3.655 0.000 1.770) 4.061 6.032 ( -5.153 -0.000 -7.716) 9.279 6.033 ( -2.269 -0.000 -4.620) 5.147 6.384 ( -2.930 -0.000 -1.242) 3.182 6.468 ( -0.450 -0.000 -0.211) 0.497 6.493 ( -0.704 -0.000 -0.703) 0.995 6.652 ( 1.870 0.000 3.243) 3.743 6.983 ( -2.233 -0.000 -1.064) 2.474 7.001 ( -1.747 -0.000 -0.351) 1.782 7.922 ( 1.533 0.000 1.893) 2.436 7.934 ( -0.631 -0.000 -0.261) 0.682 8.157 ( -5.805 -0.000 -7.009) 9.101 8.499 ( 2.711 0.000 2.849) 3.933 9.048 ( -4.922 -0.000 -6.070) 7.815 9.391 ( 4.128 0.000 4.538) 6.134 10.237 ( -3.324 -0.000 -3.613) 4.909 10.526 ( 5.177 0.000 6.161) 8.047 11.309 ( -0.493 -0.000 0.203) 0.533 11.319 ( -0.334 -0.000 0.046) 0.337 11.844 ( -2.098 -0.000 -2.961) 3.629 11.993 ( 1.502 0.000 1.556) 2.163 13.654 ( -0.997 -0.000 -0.893) 1.339 13.726 ( 0.852 0.000 1.258) 1.520 14.110 ( -0.767 -0.000 -0.891) 1.175 14.166 ( 0.687 0.000 0.745) 1.014 14.449 ( -0.028 -0.000 -0.056) 0.062 14.451 ( 0.056 0.000 0.043) 0.070 19.438 ( -2.721 -0.000 -1.565) 3.139 19.697 ( -1.051 -0.000 0.944) 1.412 19.903 ( -1.391 -0.000 -0.736) 1.573 19.989 ( 1.036 0.000 1.202) 1.587 20.080 ( 0.518 0.000 1.286) 1.386 20.120 ( -1.207 -0.000 -1.428) 1.870 21.538 ( -0.363 -0.000 -1.379) 1.426 21.675 ( 4.617 0.000 4.545) 6.479 21.890 ( 1.342 0.000 -1.269) 1.847 21.966 ( 2.556 0.000 1.015) 2.750 22.176 ( -8.763 -0.000 -6.827) 11.108 22.349 ( 2.266 0.000 4.141) 4.721 ======================= Grid point 29 (19/93) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 2.187 2.239 2.513) 4.014 1.244 ( -0.127 -1.231 -1.030) 1.610 1.405 ( 1.567 -0.545 4.693) 4.978 1.419 ( 2.939 -4.191 -5.029) 7.176 1.617 ( -1.334 -0.538 1.307) 1.944 2.010 ( -1.685 5.593 -7.186) 9.261 2.060 ( -8.280 1.903 -5.042) 9.879 2.225 ( 0.633 -4.740 -4.712) 6.714 2.291 ( -0.817 0.390 3.104) 3.234 2.357 ( 2.556 4.239 -0.834) 5.020 2.484 ( -5.929 -0.599 -3.482) 6.902 2.567 ( -2.729 2.649 -0.555) 3.844 2.705 ( 0.319 -4.778 -1.978) 5.181 2.848 ( 0.029 -8.550 -1.684) 8.714 3.005 ( -4.369 1.470 -3.724) 5.926 3.108 ( 2.939 8.713 3.310) 9.773 3.420 ( 4.875 -6.065 3.163) 8.399 3.589 ( -1.671 1.997 -0.914) 2.760 3.640 ( 0.710 2.014 -0.444) 2.181 3.691 ( -0.108 1.056 0.687) 1.265 3.702 ( -0.262 0.281 0.770) 0.861 3.777 ( 0.203 1.588 -0.483) 1.672 3.909 ( -0.584 -2.370 1.804) 3.035 4.451 ( -0.680 -0.905 0.867) 1.426 4.844 ( 7.872 -0.232 9.497) 12.338 4.988 ( 0.975 -0.021 0.873) 1.308 5.142 ( 11.001 -1.377 12.712) 16.867 5.148 ( 2.993 -0.754 1.549) 3.453 5.916 ( -8.685 -0.016 -10.926) 13.957 5.996 ( -1.588 -0.144 -2.898) 3.308 6.383 ( 1.082 -0.132 2.046) 2.318 6.452 ( -0.343 0.987 -0.093) 1.049 6.475 ( -2.054 -0.422 -2.227) 3.059 6.673 ( 0.917 0.480 1.689) 1.981 6.961 ( -1.101 0.001 -0.887) 1.413 6.989 ( -1.230 -0.335 -0.412) 1.339 7.922 ( -0.296 0.615 -0.129) 0.695 7.948 ( 1.063 -0.502 1.216) 1.691 8.080 ( -3.708 0.357 -4.418) 5.779 8.531 ( 1.425 -0.331 1.494) 2.091 8.991 ( -2.647 -0.204 -3.275) 4.216 9.436 ( 2.090 -0.015 2.309) 3.115 10.199 ( -1.671 0.165 -1.797) 2.459 10.588 ( 3.025 0.027 3.585) 4.691 11.307 ( -0.359 -0.127 0.012) 0.381 11.320 ( -0.160 -0.282 0.006) 0.324 11.817 ( -1.214 -0.015 -1.706) 2.094 12.007 ( 0.795 0.210 0.817) 1.159 13.642 ( -0.517 0.096 -0.495) 0.722 13.736 ( 0.464 0.145 0.672) 0.830 14.100 ( -0.429 0.159 -0.496) 0.675 14.172 ( 0.359 0.157 0.393) 0.555 14.447 ( -0.012 0.138 -0.027) 0.141 14.450 ( 0.027 0.122 0.020) 0.127 19.417 ( -1.527 -0.621 -1.038) 1.948 19.689 ( -0.311 0.560 0.449) 0.782 19.895 ( -0.659 -0.433 -0.318) 0.850 20.004 ( 0.957 -0.084 0.959) 1.357 20.069 ( 0.116 2.019 0.432) 2.068 20.084 ( -0.827 2.107 -0.903) 2.437 21.527 ( -0.178 0.336 -0.595) 0.706 21.728 ( 3.617 0.722 3.531) 5.106 21.893 ( 1.025 0.637 -0.425) 1.279 21.987 ( 1.355 0.170 0.530) 1.465 22.081 ( -6.218 -0.853 -4.858) 7.937 22.389 ( 1.180 -0.955 2.110) 2.599 ======================= Grid point 30 (20/93) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -0.000 7.358 -0.000) 7.358 1.235 ( 0.000 -0.334 0.000) 0.334 1.428 ( 0.000 -1.382 0.000) 1.382 1.600 ( 0.000 -10.819 0.000) 10.819 1.619 ( -0.000 1.618 -0.000) 1.618 1.911 ( -0.000 1.326 -0.000) 1.326 1.938 ( -0.000 4.488 -0.000) 4.488 2.260 ( -0.000 4.931 -0.000) 4.931 2.290 ( -0.000 2.309 -0.000) 2.309 2.314 ( 0.000 -5.930 0.000) 5.930 2.486 ( -0.000 3.769 -0.000) 3.769 2.550 ( 0.000 -9.465 0.000) 9.465 2.798 ( 0.000 -3.918 0.000) 3.918 2.923 ( -0.000 5.589 -0.000) 5.589 2.930 ( -0.000 3.592 -0.000) 3.592 3.058 ( 0.000 -6.740 0.000) 6.740 3.476 ( -0.000 6.913 -0.000) 6.913 3.508 ( -0.000 3.364 -0.000) 3.364 3.582 ( -0.000 4.350 -0.000) 4.350 3.670 ( 0.000 -3.724 0.000) 3.724 3.744 ( -0.000 0.135 -0.000) 0.135 3.775 ( 0.000 -3.032 0.000) 3.032 3.958 ( 0.000 -2.487 0.000) 2.487 4.473 ( 0.000 -1.249 0.000) 1.249 4.921 ( -0.000 1.827 -0.000) 1.827 4.958 ( 0.000 -1.279 0.000) 1.279 5.176 ( 0.000 -0.973 0.000) 0.973 5.298 ( 0.000 -1.763 0.000) 1.763 5.828 ( 0.000 -0.140 0.000) 0.140 5.984 ( 0.000 -0.177 0.000) 0.177 6.395 ( -0.000 0.586 -0.000) 0.586 6.432 ( -0.000 1.489 -0.000) 1.489 6.471 ( 0.000 -1.578 0.000) 1.578 6.669 ( -0.000 0.784 -0.000) 0.784 6.957 ( 0.000 -0.319 0.000) 0.319 6.990 ( 0.000 -0.435 0.000) 0.435 7.905 ( -0.000 0.983 -0.000) 0.983 7.968 ( 0.000 -0.607 0.000) 0.607 8.043 ( -0.000 0.412 -0.000) 0.412 8.550 ( 0.000 -0.498 0.000) 0.498 8.976 ( 0.000 -0.292 0.000) 0.292 9.452 ( 0.000 -0.077 0.000) 0.077 10.183 ( -0.000 0.269 -0.000) 0.269 10.611 ( -0.000 0.007 -0.000) 0.007 11.308 ( 0.000 -0.200 0.000) 0.200 11.325 ( 0.000 -0.364 0.000) 0.364 11.807 ( 0.000 -0.034 0.000) 0.034 12.008 ( -0.000 0.283 -0.000) 0.283 13.637 ( -0.000 0.129 -0.000) 0.129 13.736 ( -0.000 0.226 -0.000) 0.226 14.093 ( -0.000 0.241 -0.000) 0.241 14.171 ( -0.000 0.220 -0.000) 0.220 14.444 ( -0.000 0.181 -0.000) 0.181 14.447 ( -0.000 0.192 -0.000) 0.192 19.423 ( 0.000 -0.911 0.000) 0.911 19.675 ( -0.000 1.016 -0.000) 1.016 19.905 ( 0.000 -0.983 0.000) 0.983 20.015 ( -0.000 3.375 -0.000) 3.375 20.017 ( 0.000 -0.279 0.000) 0.279 20.031 ( -0.000 2.832 -0.000) 2.832 21.517 ( -0.000 0.526 -0.000) 0.526 21.740 ( -0.000 0.918 -0.000) 0.918 21.867 ( -0.000 2.009 -0.000) 2.009 21.985 ( -0.000 0.837 -0.000) 0.837 22.074 ( 0.000 -2.413 0.000) 2.413 22.426 ( 0.000 -1.929 0.000) 1.929 ======================= Grid point 39 (21/93) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.338 ( 0.000 0.000 -0.000) 0.000 1.486 ( 0.000 0.000 -0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 -0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 -0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 -0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 -0.000) 0.000 2.982 ( 0.000 0.000 -0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 -0.000) 0.000 3.634 ( 0.000 0.000 -0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 -0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 -0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 -0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 4.948 ( -0.000 -0.000 -0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 -0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.463 ( 0.000 0.000 0.000) 0.000 6.687 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 -0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 -0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 -0.000) 0.000 9.452 ( 0.000 0.000 0.000) 0.000 10.189 ( 0.000 0.000 -0.000) 0.000 10.611 ( 0.000 0.000 0.000) 0.000 11.304 ( 0.000 0.000 -0.000) 0.000 11.316 ( 0.000 0.000 -0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 12.015 ( 0.000 0.000 -0.000) 0.000 13.640 ( 0.000 0.000 0.000) 0.000 13.741 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 -0.000) 0.000 14.176 ( 0.000 0.000 0.000) 0.000 14.449 ( 0.000 0.000 -0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 19.402 ( 0.000 0.000 0.000) 0.000 19.693 ( 0.000 0.000 0.000) 0.000 19.887 ( 0.000 0.000 0.000) 0.000 20.009 ( 0.000 0.000 0.000) 0.000 20.091 ( 0.000 0.000 0.000) 0.000 20.097 ( 0.000 0.000 0.000) 0.000 21.528 ( 0.000 0.000 -0.000) 0.000 21.765 ( 0.000 0.000 -0.000) 0.000 21.910 ( 0.000 0.000 0.000) 0.000 21.995 ( 0.000 0.000 0.000) 0.000 22.021 ( 0.000 0.000 0.000) 0.000 22.392 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 69 (22/93) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( -0.538 -0.000 17.580) 17.589 0.489 ( 7.370 0.000 22.934) 24.089 0.920 ( 21.240 0.000 41.281) 46.425 1.365 ( 0.353 0.000 0.203) 0.407 1.491 ( -4.763 -0.000 -10.892) 11.888 1.897 ( 0.513 0.000 1.097) 1.211 2.141 ( 10.813 0.000 8.297) 13.629 2.303 ( 0.242 0.000 -0.450) 0.511 2.442 ( -1.767 -0.000 2.366) 2.953 2.585 ( 3.669 0.000 -4.728) 5.985 2.664 ( -3.887 -0.000 -6.138) 7.265 2.784 ( -6.676 -0.000 -5.444) 8.614 2.858 ( -2.287 -0.000 -1.089) 2.533 3.085 ( -0.541 -0.000 -9.977) 9.992 3.124 ( 2.037 0.000 3.013) 3.637 3.238 ( 8.810 0.000 9.209) 12.744 3.276 ( -1.120 -0.000 5.756) 5.864 3.309 ( 0.085 0.000 -6.565) 6.566 3.463 ( 2.726 0.000 2.196) 3.500 3.471 ( -1.348 -0.000 1.035) 1.699 3.738 ( 1.040 0.000 7.197) 7.272 3.779 ( -4.343 -0.000 -1.512) 4.599 3.971 ( -7.865 -0.000 -1.437) 7.995 4.559 ( 0.409 0.000 1.278) 1.342 4.656 ( -7.678 -0.000 -4.232) 8.767 4.848 ( 1.636 0.000 2.108) 2.668 5.018 ( -20.127 -0.000 -24.602) 31.786 5.168 ( -2.484 -0.000 -3.734) 4.485 6.003 ( 2.470 0.000 1.491) 2.885 6.061 ( 6.843 0.000 5.439) 8.741 6.390 ( -0.022 -0.000 2.077) 2.077 6.417 ( 1.775 0.000 3.133) 3.601 6.495 ( 1.065 0.000 1.331) 1.704 6.761 ( -0.809 -0.000 -4.660) 4.730 7.010 ( 1.734 0.000 2.663) 3.178 7.056 ( 0.616 0.000 1.066) 1.231 7.839 ( 0.193 0.000 2.381) 2.388 7.973 ( -0.459 -0.000 -1.306) 1.384 8.183 ( 5.347 0.000 5.122) 7.404 8.492 ( -2.035 -0.000 -2.727) 3.403 9.016 ( 3.935 0.000 4.397) 5.900 9.423 ( -3.087 -0.000 -4.080) 5.117 10.195 ( 2.455 0.000 3.486) 4.264 10.582 ( -4.478 -0.000 -5.670) 7.225 11.311 ( 0.145 0.000 0.629) 0.646 11.327 ( 0.399 0.000 0.720) 0.823 11.841 ( 3.291 0.000 1.599) 3.659 11.992 ( -1.346 -0.000 -1.725) 2.188 13.651 ( 0.807 0.000 1.129) 1.388 13.752 ( -1.096 -0.000 -1.182) 1.612 14.102 ( 0.690 0.000 0.827) 1.077 14.166 ( -0.533 -0.000 -0.638) 0.831 14.447 ( 0.024 0.000 0.050) 0.055 14.452 ( -0.027 -0.000 -0.062) 0.068 19.562 ( -1.009 -0.000 1.816) 2.078 19.762 ( 10.339 0.000 -3.250) 10.838 19.954 ( 0.660 0.000 0.491) 0.822 20.001 ( 3.286 0.000 -0.430) 3.314 20.028 ( 0.522 0.000 2.561) 2.614 20.194 ( -0.508 -0.000 -1.567) 1.648 21.499 ( 0.663 0.000 0.889) 1.109 21.637 ( -6.495 -0.000 -3.272) 7.273 21.757 ( -1.002 -0.000 1.868) 2.120 21.882 ( -0.971 -0.000 -1.233) 1.570 22.106 ( 2.246 0.000 7.016) 7.367 22.602 ( -1.850 -0.000 -4.906) 5.243 ======================= Grid point 70 (23/93) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 5.750 -10.384 14.135) 18.457 0.780 ( 9.725 -9.531 16.500) 21.393 1.320 ( 10.502 -2.540 2.634) 11.121 1.349 ( 2.649 -0.373 -2.803) 3.875 1.536 ( 8.538 -8.088 16.048) 19.896 1.934 ( 3.762 0.046 4.899) 6.177 2.126 ( -0.413 7.237 0.775) 7.290 2.350 ( 0.895 1.721 -2.247) 2.969 2.391 ( -7.807 2.150 -4.596) 9.312 2.566 ( 5.364 -3.473 2.789) 6.972 2.634 ( -4.028 0.632 -3.468) 5.353 2.720 ( -3.071 0.145 -4.061) 5.093 2.833 ( 0.975 -1.938 -2.661) 3.434 2.962 ( -1.369 3.198 -3.792) 5.146 3.097 ( 0.980 3.035 3.805) 4.965 3.220 ( -4.531 1.021 -2.972) 5.515 3.334 ( 3.572 0.936 3.386) 5.010 3.409 ( 11.752 1.824 7.616) 14.123 3.496 ( 0.275 -2.131 -0.173) 2.156 3.644 ( 4.061 -2.643 3.870) 6.201 3.698 ( -2.560 -2.990 -3.887) 5.532 3.787 ( -0.196 -0.561 5.852) 5.882 3.936 ( -4.513 -1.442 -1.005) 4.843 4.488 ( -17.462 0.519 -21.082) 27.380 4.569 ( 1.461 1.041 3.381) 3.828 4.744 ( -12.891 -2.443 -11.181) 17.239 4.948 ( 2.856 -2.838 2.778) 4.891 5.140 ( -0.649 -0.738 -3.863) 3.986 6.035 ( 2.582 -0.111 1.663) 3.073 6.110 ( 2.044 0.162 0.059) 2.051 6.408 ( 1.561 0.282 2.828) 3.242 6.461 ( 2.852 -0.143 4.123) 5.015 6.513 ( 0.635 0.003 0.986) 1.173 6.681 ( -4.717 2.055 -4.405) 6.774 7.019 ( 0.845 1.116 2.553) 2.911 7.062 ( 0.137 0.304 0.846) 0.909 7.858 ( 0.596 -0.213 2.665) 2.739 7.965 ( -0.504 -0.108 -1.368) 1.462 8.262 ( 6.162 0.363 6.269) 8.798 8.449 ( -3.893 -0.220 -4.514) 5.964 9.092 ( 5.971 -0.292 6.610) 8.913 9.360 ( -5.064 -0.057 -6.247) 8.042 10.246 ( 3.953 0.044 5.200) 6.532 10.498 ( -5.848 0.362 -7.108) 9.212 11.318 ( 0.070 -0.228 0.677) 0.718 11.332 ( 0.066 -0.013 0.484) 0.488 11.870 ( 3.037 0.596 2.541) 4.005 11.965 ( -1.972 0.098 -2.584) 3.253 13.665 ( 1.120 0.138 1.553) 1.919 13.724 ( -1.547 0.651 -1.038) 1.974 14.114 ( 0.998 0.139 1.124) 1.510 14.155 ( -0.780 0.126 -0.952) 1.237 14.447 ( 0.044 0.104 0.059) 0.127 14.450 ( -0.034 0.152 -0.072) 0.172 19.561 ( -1.678 -0.071 1.422) 2.201 19.701 ( 2.629 6.303 1.098) 6.917 19.953 ( -0.331 0.993 0.588) 1.201 19.990 ( 0.518 0.798 0.220) 0.976 20.029 ( 0.351 1.580 2.457) 2.943 20.153 ( -0.774 2.661 -2.050) 3.447 21.514 ( 1.382 0.054 1.566) 2.089 21.585 ( -2.517 -0.299 -2.764) 3.750 21.794 ( 3.012 -0.810 2.372) 3.918 21.897 ( -0.992 -2.138 -3.480) 4.203 22.180 ( 3.132 -0.849 7.936) 8.574 22.538 ( -4.203 0.779 -6.551) 7.822 ======================= Grid point 71 (24/93) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 6.503 -10.500 9.964) 15.869 1.109 ( 7.980 -9.648 8.753) 15.276 1.359 ( 4.489 -1.666 -5.399) 7.217 1.402 ( 3.020 -6.153 -9.621) 11.813 1.835 ( 6.796 -1.261 10.990) 12.982 1.951 ( -6.655 5.717 -2.617) 9.156 2.025 ( 2.413 -0.860 6.095) 6.612 2.183 ( -1.908 4.962 -5.938) 7.970 2.338 ( -2.491 0.217 2.088) 3.258 2.548 ( -4.162 2.408 -3.205) 5.779 2.611 ( -2.373 2.411 -1.871) 3.866 2.789 ( 6.878 -3.856 5.654) 9.703 2.845 ( -1.282 1.240 0.083) 1.786 2.977 ( 2.792 -4.926 -0.024) 5.662 3.039 ( -9.968 -1.729 0.386) 10.125 3.174 ( 3.474 5.424 2.845) 7.042 3.323 ( -1.244 0.426 -6.896) 7.020 3.480 ( 6.742 3.415 0.390) 7.568 3.522 ( -0.076 -2.129 -3.072) 3.738 3.588 ( 4.485 2.235 4.305) 6.606 3.767 ( -2.729 2.235 2.443) 4.291 3.894 ( 3.146 -1.420 4.428) 5.615 3.954 ( 5.288 -3.426 6.687) 9.188 4.194 ( -17.506 -1.023 -22.748) 28.722 4.571 ( -1.016 1.711 4.076) 4.536 4.696 ( -2.479 -2.296 -1.822) 3.839 5.054 ( 2.693 -3.792 2.928) 5.496 5.139 ( 0.203 -1.417 -3.392) 3.681 6.066 ( 1.700 -0.389 1.199) 2.117 6.105 ( -0.727 -0.027 -2.349) 2.459 6.434 ( 2.110 0.356 2.956) 3.649 6.483 ( -0.902 0.247 -1.246) 1.557 6.532 ( 3.561 1.028 4.960) 6.192 6.578 ( -5.587 1.532 -4.549) 7.366 7.018 ( -0.280 0.573 1.323) 1.469 7.056 ( -0.213 0.518 0.035) 0.561 7.886 ( 1.076 -0.491 2.629) 2.883 7.949 ( -0.849 0.378 -1.627) 1.874 8.341 ( 6.005 0.434 6.470) 8.838 8.384 ( -5.642 -0.349 -6.310) 8.472 9.192 ( 6.670 -0.286 7.481) 10.026 9.274 ( -6.351 -0.119 -7.659) 9.951 10.317 ( 5.290 0.075 6.582) 8.445 10.401 ( -5.867 0.401 -7.076) 9.201 11.326 ( -0.101 -0.247 0.448) 0.521 11.334 ( -0.101 -0.062 0.189) 0.223 11.902 ( 2.856 0.316 2.825) 4.029 11.929 ( -2.320 0.052 -3.062) 3.843 13.681 ( 1.236 0.244 1.655) 2.080 13.696 ( -1.432 0.366 -1.255) 1.940 14.125 ( 0.947 0.222 1.121) 1.484 14.139 ( -0.815 0.168 -1.054) 1.343 14.445 ( 0.032 0.159 0.035) 0.166 14.446 ( -0.014 0.200 -0.043) 0.205 19.549 ( -2.324 0.037 0.291) 2.342 19.645 ( 1.914 3.063 1.840) 4.053 19.925 ( -0.652 1.666 0.953) 2.027 19.986 ( 0.180 0.616 -0.184) 0.667 20.011 ( -0.205 1.288 1.092) 1.701 20.079 ( -0.233 3.175 -1.502) 3.520 21.534 ( 1.110 0.179 1.427) 1.817 21.566 ( -0.498 -0.415 -1.513) 1.646 21.846 ( 2.500 -0.703 1.872) 3.201 21.902 ( 0.005 -1.041 -2.716) 2.908 22.267 ( 2.947 -1.020 7.140) 7.792 22.440 ( -5.368 1.120 -6.758) 8.703 ======================= Grid point 72 (25/93) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 2.423 -5.051 1.199) 5.729 1.355 ( 3.195 -7.896 0.120) 8.519 1.401 ( 5.774 -1.393 -3.221) 6.757 1.529 ( 5.465 -7.580 -4.623) 10.426 1.782 ( -11.436 2.415 -1.367) 11.768 1.881 ( -2.299 0.400 -1.518) 2.784 1.918 ( -3.205 5.038 -0.409) 5.985 2.242 ( 6.695 -3.147 3.146) 8.039 2.308 ( -0.803 4.045 1.220) 4.301 2.450 ( -3.487 2.088 -1.552) 4.350 2.547 ( -3.069 1.917 -0.172) 3.622 2.796 ( -1.291 3.064 0.454) 3.356 2.859 ( 0.717 0.486 3.308) 3.419 3.019 ( -8.350 5.886 -4.484) 11.157 3.075 ( -4.466 -6.636 -1.908) 8.223 3.113 ( 1.288 -5.486 -1.703) 5.887 3.254 ( 1.803 3.417 -3.175) 5.000 3.477 ( 3.593 1.210 -2.102) 4.335 3.567 ( 3.764 -3.602 -4.112) 6.637 3.629 ( 0.724 1.002 -0.808) 1.477 3.698 ( -2.053 2.915 5.766) 6.780 3.836 ( -4.413 0.401 -7.360) 8.591 4.064 ( -3.752 -2.324 -2.441) 5.043 4.214 ( 18.399 -0.884 21.178) 28.068 4.541 ( -3.341 0.928 2.752) 4.427 4.732 ( 4.228 0.156 2.527) 4.928 5.129 ( -0.386 -1.738 -1.826) 2.550 5.169 ( 1.445 -2.447 1.300) 3.126 6.081 ( -1.757 -0.391 -2.577) 3.144 6.089 ( -0.083 -0.699 -0.451) 0.836 6.441 ( -1.942 1.126 -2.223) 3.159 6.460 ( 0.895 0.353 1.454) 1.744 6.488 ( -4.180 0.471 -3.906) 5.740 6.573 ( 3.643 1.009 4.516) 5.889 7.004 ( -1.297 0.391 -0.655) 1.505 7.046 ( -0.227 0.233 -0.266) 0.420 7.918 ( -0.336 0.267 -0.369) 0.566 7.923 ( 0.659 -0.037 0.969) 1.173 8.296 ( -6.990 -0.291 -7.815) 10.489 8.419 ( 5.320 0.128 5.944) 7.978 9.178 ( -6.524 -0.185 -7.797) 10.168 9.291 ( 6.035 -0.184 6.916) 9.181 10.311 ( -5.026 0.389 -5.997) 7.834 10.403 ( 6.047 -0.009 7.222) 9.420 11.329 ( -0.278 -0.111 0.052) 0.303 11.335 ( -0.094 0.007 -0.010) 0.095 11.891 ( -2.482 -0.070 -3.115) 3.983 11.938 ( 2.436 0.071 2.576) 3.546 13.672 ( -1.283 0.171 -1.334) 1.858 13.696 ( 1.208 0.233 1.511) 1.949 14.119 ( -0.932 0.170 -1.059) 1.421 14.140 ( 0.926 0.119 0.995) 1.364 14.442 ( -0.021 0.121 -0.023) 0.125 14.443 ( 0.036 0.129 0.020) 0.135 19.526 ( -2.607 -0.133 -1.164) 2.859 19.627 ( 1.406 1.622 0.906) 2.330 19.900 ( -0.006 1.295 1.433) 1.931 19.958 ( 0.280 1.941 -0.436) 2.009 19.998 ( -0.715 -0.011 -0.277) 0.767 20.036 ( 0.154 1.146 -0.335) 1.203 21.530 ( -0.960 0.033 -1.017) 1.399 21.584 ( 2.365 -0.105 2.136) 3.188 21.868 ( 0.170 0.062 -0.633) 0.658 21.918 ( 1.575 -0.791 0.173) 1.771 22.308 ( -3.595 0.549 -2.111) 4.205 22.377 ( 1.114 -0.662 1.681) 2.123 ======================= Grid point 73 (26/93) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -4.618 0.822 -5.678) 7.365 1.335 ( -2.452 2.140 -8.606) 9.201 1.513 ( -1.680 -1.083 0.059) 2.000 1.652 ( -9.267 -0.772 -3.422) 9.909 1.712 ( 6.018 -7.052 -2.955) 9.730 1.755 ( -3.359 1.377 0.027) 3.630 1.931 ( 1.090 1.542 4.653) 5.022 2.234 ( 1.069 2.329 -0.115) 2.565 2.357 ( 3.761 -2.460 0.482) 4.520 2.418 ( -0.078 -0.785 0.306) 0.846 2.468 ( -1.323 4.126 0.538) 4.367 2.705 ( -1.532 4.611 -4.410) 6.562 2.809 ( -13.972 -0.149 -5.018) 14.847 2.911 ( 0.668 -4.034 0.860) 4.178 3.120 ( -1.693 0.174 -2.272) 2.839 3.174 ( -1.661 0.995 -0.591) 2.024 3.192 ( 2.618 -1.876 -5.979) 6.792 3.456 ( 0.427 1.349 -3.222) 3.519 3.522 ( -6.357 1.954 -3.258) 7.406 3.637 ( 3.369 -1.017 -1.066) 3.677 3.747 ( 2.532 -2.303 6.271) 7.145 3.843 ( 3.193 -1.996 0.455) 3.793 4.058 ( -1.279 1.109 1.052) 1.993 4.481 ( 9.729 0.876 9.946) 13.941 4.550 ( 6.020 -0.556 12.219) 13.633 4.793 ( 9.726 1.713 9.008) 13.367 5.123 ( -0.825 0.001 -2.137) 2.291 5.225 ( 0.167 -1.328 2.468) 2.808 6.054 ( -2.703 -0.460 -2.869) 3.969 6.083 ( -3.375 -1.063 -3.936) 5.293 6.393 ( -1.750 0.670 -1.976) 2.723 6.419 ( -3.169 0.117 -3.703) 4.876 6.490 ( 1.551 -0.085 1.602) 2.232 6.606 ( 2.883 0.704 3.239) 4.393 6.981 ( -1.002 0.165 -1.617) 1.910 7.038 ( -0.508 0.039 -0.664) 0.837 7.884 ( -1.125 1.020 -1.304) 2.002 7.955 ( 1.464 -0.474 1.709) 2.300 8.198 ( -6.976 -0.566 -8.064) 10.678 8.486 ( 3.991 0.168 4.650) 6.130 9.090 ( -5.551 -0.149 -6.540) 8.579 9.373 ( 4.636 -0.131 5.336) 7.070 10.238 ( -3.701 0.326 -4.341) 5.714 10.494 ( 5.787 -0.174 6.728) 8.876 11.326 ( -0.346 0.047 -0.391) 0.524 11.332 ( -0.033 0.236 -0.029) 0.240 11.856 ( -2.370 -0.145 -2.764) 3.644 11.969 ( 1.789 -0.084 2.058) 2.728 13.653 ( -1.023 0.028 -1.170) 1.554 13.709 ( 1.007 0.147 1.226) 1.593 14.104 ( -0.885 0.020 -1.030) 1.358 14.151 ( 0.766 0.001 0.876) 1.164 14.441 ( -0.008 -0.034 -0.001) 0.035 14.442 ( 0.008 0.030 0.002) 0.031 19.496 ( -2.503 -0.022 -2.330) 3.420 19.612 ( 0.841 1.456 0.469) 1.746 19.896 ( 0.513 0.285 1.476) 1.588 19.941 ( 0.468 0.014 0.021) 0.469 19.997 ( -0.520 -0.869 -0.493) 1.126 20.022 ( -0.074 0.364 -0.329) 0.496 21.515 ( -1.056 0.055 -1.001) 1.456 21.623 ( 2.776 -0.019 3.334) 4.338 21.847 ( -1.464 0.604 -2.074) 2.610 21.950 ( 1.248 -0.768 1.297) 1.957 22.227 ( -4.666 1.161 -4.446) 6.549 22.442 ( 3.684 -1.373 3.558) 5.303 ======================= Grid point 74 (27/93) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -13.300 5.216 -6.987) 15.903 1.162 ( -12.555 6.823 -6.236) 15.591 1.369 ( -9.080 2.897 -6.464) 11.516 1.612 ( 2.454 4.337 -2.722) 5.678 1.738 ( -2.611 9.546 4.830) 11.013 1.809 ( 4.495 -2.073 0.490) 4.974 1.927 ( 2.277 -3.729 -1.301) 4.559 2.269 ( 4.331 -3.444 0.714) 5.579 2.373 ( 0.517 3.501 2.559) 4.367 2.434 ( -0.945 -4.681 -9.185) 10.352 2.491 ( -0.142 -6.015 2.879) 6.670 2.612 ( 1.065 0.933 -7.208) 7.345 2.779 ( -6.538 -5.346 5.285) 9.962 2.914 ( -1.994 2.974 -1.276) 3.801 3.085 ( -1.971 0.079 -1.213) 2.316 3.126 ( -1.456 2.551 -0.181) 2.943 3.257 ( 2.780 -5.681 -3.981) 7.473 3.403 ( -2.055 0.799 -3.772) 4.369 3.489 ( -2.670 -2.472 2.531) 4.432 3.651 ( 2.631 1.359 -2.378) 3.798 3.823 ( 0.462 -0.064 4.766) 4.789 3.915 ( 5.647 -1.064 0.310) 5.754 4.010 ( 0.110 3.923 1.408) 4.170 4.503 ( 0.760 0.100 -0.087) 0.772 4.666 ( 4.556 1.905 8.643) 9.954 4.943 ( 7.259 0.657 8.604) 11.276 5.141 ( 8.798 0.343 8.705) 12.381 5.250 ( 0.393 0.161 3.504) 3.530 6.014 ( -6.664 -1.264 -8.257) 10.686 6.026 ( -4.306 -0.383 -3.998) 5.888 6.370 ( -1.083 -0.154 -0.755) 1.329 6.385 ( -0.828 0.096 -1.359) 1.594 6.511 ( 1.449 0.016 0.424) 1.510 6.633 ( 1.846 0.094 2.067) 2.773 6.967 ( 0.070 0.016 -1.475) 1.477 7.030 ( -0.530 -0.089 -0.797) 0.961 7.852 ( -0.882 0.912 -0.444) 1.344 7.980 ( 1.132 -0.215 0.963) 1.502 8.121 ( -5.045 -1.121 -6.202) 8.073 8.527 ( 2.238 0.515 2.791) 3.614 9.021 ( -3.755 0.032 -4.283) 5.697 9.431 ( 2.911 -0.082 3.183) 4.314 10.190 ( -2.146 0.200 -2.418) 3.239 10.575 ( 4.218 -0.346 4.760) 6.369 11.319 ( -0.148 0.146 -0.502) 0.544 11.325 ( -0.013 0.438 0.053) 0.441 11.826 ( -1.898 -0.037 -2.027) 2.777 11.992 ( 1.018 -0.210 1.271) 1.642 13.641 ( -0.642 -0.067 -0.770) 1.005 13.720 ( 0.639 0.057 0.845) 1.061 14.093 ( -0.617 -0.123 -0.704) 0.944 14.161 ( 0.463 -0.124 0.557) 0.735 14.442 ( -0.018 -0.081 -0.021) 0.086 14.443 ( 0.005 -0.177 0.021) 0.178 19.458 ( -2.018 0.587 -2.638) 3.373 19.594 ( 0.288 1.394 0.643) 1.561 19.915 ( 0.215 -1.179 1.348) 1.804 19.950 ( 0.256 -0.309 -0.460) 0.610 20.005 ( 0.076 0.341 -0.214) 0.409 20.037 ( 0.007 -3.141 -0.180) 3.146 21.501 ( -0.832 0.041 -0.547) 0.996 21.665 ( 2.408 -0.023 3.920) 4.600 21.803 ( -2.877 0.625 -2.707) 4.000 21.981 ( 0.277 -1.132 1.270) 1.724 22.145 ( -2.582 2.157 -2.922) 4.456 22.520 ( 3.831 -1.943 1.832) 4.670 ======================= Grid point 75 (28/93) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( -20.564 6.690 -4.154) 22.021 0.815 ( -15.427 13.207 -3.124) 20.547 1.262 ( -2.630 13.588 4.580) 14.578 1.306 ( -5.246 10.494 0.990) 11.774 1.680 ( 6.543 2.808 0.201) 7.123 1.889 ( 4.236 -0.377 1.123) 4.398 1.985 ( -0.437 -2.117 -3.549) 4.156 2.316 ( -2.976 -1.525 -3.452) 4.806 2.384 ( -0.769 -3.259 -1.543) 3.687 2.481 ( 7.305 -3.744 -7.004) 10.791 2.607 ( 7.068 -1.471 0.081) 7.219 2.699 ( -1.038 -12.563 1.182) 12.661 2.789 ( -1.541 2.571 1.326) 3.278 2.950 ( -4.759 -6.328 6.346) 10.147 3.030 ( -5.670 0.783 -0.083) 5.724 3.070 ( 0.275 0.667 -2.619) 2.717 3.316 ( -0.649 1.263 1.497) 2.063 3.395 ( 0.887 -2.262 -1.319) 2.765 3.582 ( 1.053 -5.923 0.057) 6.016 3.601 ( -0.478 2.113 -4.142) 4.674 3.788 ( -1.502 4.912 3.747) 6.358 3.906 ( 3.376 7.746 -2.656) 8.857 4.009 ( 5.525 -1.655 1.413) 5.938 4.514 ( 1.262 -0.589 -0.273) 1.419 4.702 ( 1.403 1.001 6.885) 7.097 4.923 ( -2.838 2.532 -1.102) 3.960 5.230 ( -0.911 -0.334 -0.229) 0.997 5.348 ( 9.637 0.227 9.850) 13.782 5.917 ( -5.813 -1.268 -7.927) 9.912 5.993 ( -1.646 0.076 -1.416) 2.172 6.368 ( -0.936 -0.672 0.379) 1.213 6.383 ( 0.339 -0.134 0.411) 0.549 6.515 ( 1.306 0.751 -0.517) 1.593 6.657 ( 0.960 -0.409 1.664) 1.964 6.965 ( 0.927 0.046 -0.789) 1.218 7.028 ( 0.090 -0.337 -0.257) 0.433 7.833 ( -0.523 0.579 0.645) 1.012 7.993 ( 0.652 -0.024 0.102) 0.660 8.092 ( -1.470 -1.328 -2.286) 3.025 8.536 ( 0.392 0.769 0.745) 1.141 8.981 ( -1.369 0.174 -1.488) 2.030 9.459 ( 0.987 -0.018 0.801) 1.271 10.168 ( -0.569 0.086 -0.491) 0.756 10.624 ( 1.439 -0.393 1.387) 2.037 11.315 ( 0.183 0.255 -0.012) 0.314 11.318 ( 0.079 0.358 0.135) 0.390 11.805 ( -0.936 0.153 -0.875) 1.290 12.006 ( 0.216 -0.242 0.285) 0.432 13.637 ( -0.167 -0.108 -0.188) 0.273 13.727 ( 0.226 -0.064 0.614) 0.657 14.090 ( -0.207 -0.180 -0.196) 0.337 14.169 ( 0.117 -0.175 0.161) 0.265 14.444 ( -0.019 -0.130 -0.008) 0.131 14.447 ( 0.002 -0.235 0.003) 0.235 19.420 ( -0.278 1.157 -0.182) 1.204 19.575 ( -0.170 1.106 1.060) 1.542 19.948 ( 0.739 0.048 0.092) 0.746 19.954 ( -0.914 -1.905 0.249) 2.127 19.997 ( 0.112 0.368 0.192) 0.430 20.111 ( 0.417 -4.262 -0.389) 4.300 21.494 ( -0.471 -0.008 -0.040) 0.473 21.699 ( 0.679 0.178 2.331) 2.434 21.757 ( -3.483 -0.338 -1.167) 3.689 22.004 ( -1.156 -1.242 -0.792) 1.872 22.082 ( 0.526 2.599 0.335) 2.673 22.590 ( 2.973 -1.990 -0.483) 3.610 ======================= Grid point 76 (29/93) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -7.216 7.192 14.142) 17.430 0.464 ( -6.966 14.246 9.087) 18.277 0.864 ( -2.539 22.558 25.281) 33.977 1.320 ( 1.496 -2.332 1.485) 3.143 1.626 ( -1.631 4.029 -6.458) 7.785 1.910 ( 2.378 1.730 -0.553) 2.993 2.008 ( 2.263 -3.540 -0.430) 4.224 2.324 ( 0.691 -0.267 -2.872) 2.966 2.406 ( 2.411 -0.671 2.776) 3.738 2.569 ( 3.270 -2.300 -5.656) 6.926 2.719 ( -0.282 -0.093 -1.601) 1.628 2.755 ( 2.184 -6.452 0.456) 6.827 2.884 ( -1.530 -0.358 -1.755) 2.356 2.964 ( -5.500 -6.035 1.194) 8.252 3.032 ( 1.436 -5.098 -0.646) 5.336 3.143 ( -0.332 -3.780 4.829) 6.141 3.281 ( 1.299 3.144 2.777) 4.392 3.423 ( -3.652 -2.316 -2.959) 5.239 3.496 ( -0.459 4.414 -1.099) 4.571 3.651 ( 0.747 7.568 -8.741) 11.586 3.719 ( 0.331 2.379 6.252) 6.698 3.777 ( 1.621 2.050 -0.067) 2.615 4.060 ( -0.324 -0.324 -5.259) 5.279 4.539 ( 1.047 -0.875 0.372) 1.414 4.715 ( -3.083 0.445 1.984) 3.694 4.851 ( -0.477 2.540 0.755) 2.693 5.209 ( -2.769 -0.213 -2.576) 3.788 5.310 ( -12.405 0.578 -17.203) 21.217 5.947 ( 7.454 -0.664 6.766) 10.089 5.984 ( 0.947 0.143 0.470) 1.067 6.379 ( -0.882 -0.768 1.163) 1.650 6.396 ( 0.588 -0.200 1.422) 1.552 6.501 ( 0.966 1.448 -0.600) 1.841 6.704 ( 3.113 -2.335 3.530) 5.254 6.973 ( 1.145 -0.290 0.847) 1.454 7.040 ( 0.828 -0.390 0.575) 1.081 7.829 ( -0.162 0.224 1.679) 1.701 7.990 ( -0.248 0.242 -1.351) 1.395 8.120 ( 2.897 -0.765 2.509) 3.908 8.518 ( -1.061 0.573 -1.009) 1.572 8.978 ( 1.422 0.135 1.571) 2.124 9.457 ( -1.092 0.019 -1.671) 1.996 10.170 ( 0.876 0.137 1.312) 1.584 10.626 ( -1.697 -0.375 -2.356) 2.928 11.310 ( 0.113 0.321 0.388) 0.516 11.319 ( 0.465 0.050 0.526) 0.704 11.803 ( 1.294 -0.079 1.308) 1.841 12.007 ( -0.593 -0.114 -0.802) 1.003 13.640 ( 0.347 -0.088 0.492) 0.609 13.739 ( 0.236 -0.854 0.860) 1.235 14.094 ( 0.244 -0.128 0.358) 0.452 14.171 ( -0.225 -0.123 -0.253) 0.360 14.446 ( -0.001 -0.095 0.017) 0.097 14.451 ( -0.012 -0.161 -0.031) 0.164 19.482 ( 10.503 -4.083 10.957) 15.718 19.564 ( -0.334 0.554 1.668) 1.789 19.948 ( 0.760 0.230 0.071) 0.797 19.974 ( -0.867 -0.872 -0.531) 1.339 20.007 ( 0.312 -0.615 1.811) 1.938 20.177 ( 0.110 -2.782 -1.039) 2.972 21.493 ( 0.008 -0.004 0.395) 0.395 21.683 ( -3.128 -0.272 -1.829) 3.634 21.758 ( -3.530 -1.963 1.728) 4.393 21.976 ( -2.009 1.832 -5.132) 5.808 22.072 ( 1.614 1.251 4.089) 4.570 22.625 ( 0.833 -0.837 -3.293) 3.498 ======================= Grid point 78 (30/93) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 10.014 0.000 17.936) 20.542 0.874 ( 11.132 0.000 16.934) 20.266 1.291 ( 1.626 0.000 -11.063) 11.182 1.320 ( 1.539 0.000 -8.229) 8.371 1.784 ( 21.875 0.000 23.772) 32.305 2.003 ( 4.296 0.000 6.024) 7.399 2.170 ( -10.094 -0.000 -2.721) 10.454 2.335 ( -1.897 -0.000 -0.550) 1.975 2.362 ( -4.126 -0.000 -0.728) 4.190 2.540 ( -4.614 -0.000 -7.732) 9.004 2.565 ( 2.243 0.000 -3.823) 4.433 2.649 ( -2.315 -0.000 -5.159) 5.655 2.840 ( 2.534 0.000 -0.149) 2.538 2.907 ( -3.499 -0.000 -6.915) 7.750 3.101 ( -4.586 -0.000 -0.430) 4.606 3.186 ( -0.724 -0.000 -3.600) 3.672 3.395 ( -2.331 -0.000 2.623) 3.509 3.491 ( 3.156 0.000 1.090) 3.339 3.534 ( 4.951 0.000 0.536) 4.980 3.674 ( -2.001 -0.000 -2.500) 3.203 3.786 ( 21.664 0.000 26.464) 34.201 3.828 ( 1.054 0.000 6.211) 6.300 3.885 ( -3.395 -0.000 1.093) 3.567 4.170 ( -20.402 -0.000 -27.354) 34.124 4.606 ( -7.141 -0.000 -2.929) 7.718 4.627 ( 3.803 0.000 5.578) 6.751 4.972 ( 3.663 0.000 3.779) 5.263 5.107 ( 0.111 0.000 -4.658) 4.660 6.060 ( 1.751 0.000 0.849) 1.946 6.105 ( -0.817 -0.000 -3.155) 3.259 6.442 ( 2.130 0.000 2.762) 3.488 6.480 ( 0.297 0.000 0.130) 0.324 6.553 ( 3.167 0.000 4.935) 5.864 6.615 ( -7.084 -0.000 -5.976) 9.268 7.048 ( -0.318 -0.000 1.703) 1.732 7.060 ( -1.359 -0.000 0.165) 1.369 7.877 ( 0.760 0.000 2.766) 2.868 7.954 ( -0.369 -0.000 -1.191) 1.247 8.348 ( 5.691 0.000 5.676) 8.038 8.379 ( -5.407 -0.000 -6.039) 8.106 9.183 ( 6.711 0.000 7.636) 10.166 9.271 ( -6.437 -0.000 -7.823) 10.131 10.320 ( 5.280 0.000 6.766) 8.582 10.410 ( -5.955 -0.000 -7.223) 9.361 11.320 ( -0.072 -0.000 0.728) 0.732 11.333 ( -0.286 -0.000 0.130) 0.314 11.915 ( 2.827 0.000 2.362) 3.684 11.931 ( -2.430 -0.000 -3.206) 4.023 13.686 ( 1.252 0.000 1.834) 2.220 13.707 ( -1.917 -0.000 -1.475) 2.419 14.131 ( 1.131 0.000 1.199) 1.649 14.143 ( -0.931 -0.000 -1.146) 1.476 14.448 ( 0.063 0.000 0.077) 0.100 14.450 ( -0.037 -0.000 -0.089) 0.097 19.549 ( -2.822 -0.000 1.143) 3.045 19.747 ( -1.117 -0.000 -3.085) 3.281 19.967 ( 0.170 0.000 0.724) 0.744 19.980 ( -2.265 -0.000 -1.379) 2.651 20.075 ( 0.000 0.000 3.376) 3.376 20.158 ( -0.932 -0.000 -2.360) 2.538 21.543 ( 2.522 0.000 2.544) 3.583 21.554 ( -1.007 -0.000 -2.406) 2.608 21.832 ( 4.344 0.000 1.950) 4.761 21.856 ( 0.237 0.000 -2.085) 2.098 22.246 ( 3.176 0.000 8.519) 9.092 22.462 ( -6.075 -0.000 -7.643) 9.764 ======================= Grid point 79 (31/93) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 9.433 -5.577 15.429) 18.924 1.085 ( 9.110 -4.587 7.472) 12.644 1.288 ( 3.831 -3.316 -8.760) 10.120 1.326 ( 4.784 -2.989 -6.979) 8.974 1.870 ( -7.790 3.070 -3.883) 9.230 2.058 ( 1.394 2.486 -0.249) 2.861 2.092 ( 4.111 5.203 3.355) 7.431 2.219 ( -3.547 4.545 -7.023) 9.086 2.328 ( 0.304 -0.680 9.781) 9.810 2.479 ( -6.007 -1.536 -6.635) 9.082 2.623 ( -0.779 0.032 -6.122) 6.171 2.675 ( -0.869 -9.095 0.446) 9.147 2.851 ( -1.317 -1.802 -0.419) 2.271 2.901 ( -2.360 -2.630 -2.168) 4.146 2.986 ( -2.233 4.903 2.446) 5.917 3.251 ( 3.103 -4.249 -0.299) 5.270 3.284 ( -8.805 5.130 -6.249) 11.954 3.531 ( 4.173 -0.140 2.535) 4.885 3.584 ( 3.921 2.079 -1.643) 4.732 3.613 ( 0.041 0.398 -1.598) 1.647 3.806 ( -3.599 2.403 1.051) 4.453 3.867 ( -5.302 0.247 -7.640) 9.303 3.950 ( -5.309 -2.123 -5.549) 7.968 4.167 ( 23.857 -1.093 28.872) 37.470 4.549 ( -5.237 -0.456 -0.867) 5.328 4.711 ( 5.633 -0.821 7.054) 9.065 5.040 ( 3.071 -1.906 3.178) 4.813 5.094 ( 0.309 -1.292 -4.805) 4.985 6.071 ( -0.718 -0.123 -1.917) 2.051 6.073 ( -1.127 -0.211 -2.684) 2.919 6.464 ( 0.116 0.444 0.029) 0.459 6.478 ( 0.425 0.027 -0.049) 0.428 6.518 ( -6.421 0.676 -4.551) 7.899 6.603 ( 3.009 0.475 4.719) 5.617 7.028 ( -1.852 0.963 -0.065) 2.088 7.053 ( -1.427 -0.089 -0.153) 1.438 7.902 ( 1.000 -0.334 2.564) 2.772 7.942 ( -0.496 0.282 -1.411) 1.522 8.291 ( -6.614 0.018 -7.117) 9.716 8.420 ( 4.724 -0.037 4.779) 6.720 9.172 ( -6.638 -0.115 -8.068) 10.448 9.282 ( 6.168 -0.245 7.039) 9.362 10.324 ( -5.071 0.244 -6.155) 7.978 10.406 ( 5.960 0.100 7.460) 9.549 11.323 ( -0.325 -0.123 0.453) 0.571 11.330 ( -0.372 -0.125 -0.103) 0.406 11.891 ( -2.556 0.045 -3.421) 4.271 11.947 ( 2.533 0.308 2.372) 3.484 13.681 ( -1.585 0.248 -1.377) 2.114 13.705 ( 1.173 0.190 1.728) 2.098 14.127 ( -0.945 0.164 -1.155) 1.501 14.145 ( 1.028 0.130 1.082) 1.498 14.448 ( 0.009 0.143 -0.004) 0.143 14.449 ( 0.025 0.116 -0.004) 0.118 19.523 ( -3.763 0.027 -0.237) 3.770 19.703 ( -0.222 1.993 -1.473) 2.488 19.943 ( -1.559 0.767 -0.123) 1.741 19.979 ( -0.208 -0.381 -0.107) 0.447 20.067 ( 0.011 2.359 2.911) 3.747 20.116 ( -0.671 2.172 -2.162) 3.137 21.535 ( -0.423 0.153 -1.666) 1.725 21.584 ( 3.356 0.102 3.283) 4.695 21.858 ( 0.978 -0.642 -1.622) 2.000 21.886 ( 3.567 -0.707 1.177) 3.822 22.315 ( 1.269 0.045 6.008) 6.140 22.362 ( -6.007 -0.094 -6.337) 8.732 ======================= Grid point 80 (32/93) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 3.795 -2.723 3.476) 5.822 1.247 ( 3.694 -5.178 -1.213) 6.475 1.388 ( 3.936 -4.152 -3.547) 6.732 1.412 ( 6.416 -6.697 -5.319) 10.691 1.709 ( -9.377 2.927 -1.219) 9.898 1.940 ( -2.804 6.483 -4.503) 8.377 1.983 ( 1.404 4.293 -1.244) 4.685 2.199 ( 0.260 -3.533 -5.654) 6.672 2.355 ( -5.554 1.442 3.447) 6.694 2.462 ( 2.741 -0.628 1.806) 3.342 2.541 ( -2.921 2.215 -4.922) 6.138 2.763 ( -12.939 -0.943 -6.856) 14.673 2.812 ( -3.060 -4.625 1.528) 5.753 2.947 ( -1.308 1.473 1.745) 2.632 3.009 ( 0.182 -5.081 -0.346) 5.096 3.059 ( -3.639 4.034 -3.870) 6.670 3.335 ( 4.140 2.313 1.408) 4.947 3.527 ( 4.120 -0.422 -3.587) 5.479 3.579 ( 4.109 1.625 1.524) 4.674 3.640 ( 0.181 2.745 -2.475) 3.700 3.739 ( -2.886 -2.025 -7.257) 8.068 3.756 ( -2.470 2.097 4.202) 5.306 3.997 ( -0.653 -3.088 2.564) 4.066 4.518 ( -3.413 -0.415 0.308) 3.452 4.523 ( 21.427 0.281 25.243) 33.112 4.825 ( 8.310 -0.214 9.817) 12.864 5.085 ( 0.365 -1.536 -3.749) 4.067 5.137 ( 1.638 -2.964 2.416) 4.160 6.036 ( -2.495 -0.413 -3.984) 4.719 6.056 ( -3.111 -0.450 -3.864) 4.981 6.425 ( -4.275 0.327 -3.131) 5.309 6.441 ( -1.018 1.300 -1.502) 2.232 6.494 ( 0.589 0.177 0.879) 1.072 6.636 ( 2.195 0.759 3.373) 4.095 6.992 ( -2.034 0.552 -1.514) 2.595 7.038 ( -1.519 -0.033 -0.634) 1.646 7.917 ( -0.536 0.636 -1.255) 1.505 7.936 ( 1.147 -0.495 1.924) 2.294 8.192 ( -6.887 0.139 -7.283) 10.025 8.483 ( 3.695 -0.284 3.851) 5.345 9.081 ( -5.525 -0.246 -6.736) 8.716 9.367 ( 4.642 -0.201 5.372) 7.103 10.251 ( -3.714 0.329 -4.517) 5.857 10.494 ( 5.630 0.104 6.896) 8.903 11.323 ( -0.549 -0.135 -0.015) 0.566 11.330 ( -0.252 -0.231 -0.167) 0.380 11.852 ( -2.240 -0.037 -3.001) 3.745 11.973 ( 1.966 0.270 1.971) 2.797 13.658 ( -1.155 0.216 -1.142) 1.638 13.718 ( 0.964 0.283 1.318) 1.657 14.110 ( -0.840 0.234 -1.027) 1.347 14.155 ( 0.810 0.196 0.874) 1.208 14.444 ( -0.016 0.186 -0.037) 0.190 14.446 ( 0.049 0.180 0.034) 0.189 19.488 ( -3.423 -0.281 -1.591) 3.785 19.667 ( 0.593 1.532 -0.614) 1.754 19.925 ( -0.810 0.308 0.605) 1.057 19.977 ( 0.271 0.654 -0.238) 0.747 20.029 ( 0.028 2.943 1.613) 3.356 20.058 ( -0.584 2.055 -1.357) 2.531 21.521 ( -0.337 0.241 -1.098) 1.174 21.629 ( 3.767 0.405 3.647) 5.259 21.864 ( 0.539 -0.098 -1.777) 1.860 21.931 ( 2.757 -0.357 1.495) 3.157 22.243 ( -6.794 0.228 -6.270) 9.248 22.393 ( 1.637 -1.166 4.984) 5.374 ======================= Grid point 81 (33/93) ======================= q-point: ( 0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -6.168 1.991 -6.805) 9.398 1.282 ( -1.900 -1.098 -7.754) 8.058 1.491 ( 3.349 -5.373 3.539) 7.253 1.523 ( -2.709 1.846 -6.175) 6.991 1.649 ( 2.990 -5.105 0.684) 5.955 1.806 ( -0.075 4.082 1.017) 4.208 1.990 ( 4.372 0.396 3.537) 5.637 2.204 ( -5.532 -3.224 -8.230) 10.427 2.304 ( -2.624 -0.319 -1.463) 3.022 2.431 ( 0.790 3.355 -0.542) 3.489 2.562 ( -3.141 -3.911 6.246) 8.011 2.649 ( -3.332 2.605 -7.894) 8.955 2.784 ( -0.866 4.257 0.361) 4.359 2.843 ( -6.158 -0.742 -1.818) 6.463 3.028 ( -3.253 -2.880 3.297) 5.454 3.157 ( 3.025 -4.227 -1.675) 5.461 3.262 ( 3.784 5.897 -3.054) 7.644 3.471 ( -4.723 5.959 -7.122) 10.418 3.549 ( -0.612 3.455 2.910) 4.559 3.621 ( 5.048 -2.939 -2.011) 6.178 3.764 ( 0.977 -1.143 4.338) 4.591 3.810 ( 2.286 -4.066 0.671) 4.713 4.047 ( -1.850 -1.889 1.941) 3.280 4.506 ( -1.182 -0.227 0.098) 1.208 4.746 ( 10.439 1.864 11.673) 15.770 4.963 ( 7.257 0.393 8.990) 11.561 5.118 ( 5.800 -1.318 3.379) 6.841 5.218 ( 2.095 -2.145 5.263) 6.057 5.973 ( -7.812 -0.666 -9.212) 12.097 6.014 ( -2.460 -0.472 -2.739) 3.712 6.385 ( -0.960 0.538 -0.644) 1.275 6.404 ( -0.440 1.202 -0.960) 1.600 6.501 ( 0.199 -0.412 0.340) 0.570 6.650 ( 1.112 0.726 1.782) 2.222 6.964 ( -0.906 -0.024 -1.670) 1.900 7.024 ( -1.384 -0.217 -0.769) 1.598 7.889 ( -0.484 0.999 -1.084) 1.551 7.966 ( 1.033 -0.554 1.444) 1.860 8.100 ( -5.347 0.011 -5.701) 7.816 8.532 ( 2.357 -0.278 2.550) 3.484 9.017 ( -3.502 -0.237 -4.242) 5.506 9.425 ( 2.775 -0.181 3.240) 4.270 10.201 ( -2.181 0.331 -2.664) 3.459 10.568 ( 4.039 -0.021 4.879) 6.333 11.319 ( -0.535 -0.099 -0.361) 0.653 11.332 ( -0.107 -0.129 -0.101) 0.196 11.824 ( -1.532 -0.090 -1.957) 2.487 11.991 ( 1.183 0.150 1.257) 1.733 13.642 ( -0.695 0.122 -0.753) 1.033 13.725 ( 0.635 0.240 0.800) 1.049 14.095 ( -0.571 0.187 -0.704) 0.926 14.162 ( 0.496 0.144 0.555) 0.758 14.441 ( -0.003 0.107 -0.008) 0.108 14.444 ( 0.026 0.157 0.008) 0.159 19.462 ( -2.158 -0.412 -1.616) 2.728 19.645 ( 0.578 1.310 -0.371) 1.479 19.924 ( 0.364 0.367 1.374) 1.468 19.953 ( -0.058 1.435 -0.575) 1.547 19.992 ( -0.159 1.427 0.599) 1.556 20.026 ( -0.401 0.490 -0.774) 0.999 21.508 ( -0.286 0.325 -0.603) 0.742 21.673 ( 3.535 0.422 3.635) 5.088 21.842 ( -0.785 1.165 -2.539) 2.902 21.960 ( 1.296 -0.002 1.426) 1.927 22.169 ( -4.535 -0.678 -4.014) 6.094 22.453 ( 1.461 -1.607 2.837) 3.573 ======================= Grid point 82 (34/93) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -11.079 5.402 -3.726) 12.877 1.228 ( 0.087 2.573 -3.469) 4.320 1.333 ( -5.807 8.630 -3.148) 10.868 1.622 ( 1.240 -5.053 -0.139) 5.205 1.808 ( 6.039 0.183 4.478) 7.520 1.837 ( 6.067 -7.122 -0.581) 9.373 1.980 ( 0.625 6.675 2.577) 7.183 2.192 ( -3.537 -3.834 -1.955) 5.571 2.299 ( -2.207 -4.280 -5.826) 7.558 2.404 ( -1.761 -0.921 -0.788) 2.138 2.499 ( -1.579 7.069 -3.057) 7.862 2.670 ( 5.068 4.119 -2.851) 7.125 2.679 ( -1.486 -4.182 13.295) 14.016 2.931 ( -1.250 -3.812 2.314) 4.631 3.024 ( -5.605 -1.771 -1.907) 6.180 3.164 ( 2.823 2.247 -3.716) 5.179 3.207 ( 2.850 2.091 -3.591) 5.039 3.368 ( -0.149 -1.362 -2.974) 3.274 3.481 ( -4.962 3.178 4.222) 7.249 3.668 ( 3.383 -0.207 -4.157) 5.363 3.833 ( 0.759 -1.904 3.628) 4.167 3.899 ( 2.276 -3.356 -0.982) 4.172 4.055 ( -1.781 0.305 1.880) 2.607 4.502 ( -0.287 -0.271 -1.337) 1.394 4.794 ( 3.326 3.509 5.646) 7.433 4.982 ( -1.196 0.499 -1.179) 1.752 5.205 ( 1.440 -0.956 1.038) 2.016 5.342 ( 6.551 -0.781 9.101) 11.241 5.869 ( -5.739 -1.079 -6.954) 9.081 5.994 ( -1.170 -0.077 -0.683) 1.357 6.367 ( -0.287 0.680 -0.189) 0.761 6.386 ( 0.226 0.454 -0.071) 0.512 6.518 ( 0.708 -0.634 0.144) 0.961 6.652 ( 0.094 0.220 0.614) 0.659 6.960 ( 0.676 -0.322 -0.848) 1.131 7.016 ( -0.843 -0.328 -0.315) 0.958 7.864 ( -0.213 1.015 -0.217) 1.060 7.986 ( 0.445 -0.364 0.461) 0.737 8.051 ( -1.801 -0.586 -1.976) 2.737 8.556 ( 0.685 0.139 0.780) 1.047 8.985 ( -1.105 -0.018 -1.308) 1.712 9.456 ( 0.876 -0.187 0.909) 1.276 10.174 ( -0.616 0.244 -0.738) 0.992 10.611 ( 1.293 -0.213 1.523) 2.009 11.316 ( -0.143 -0.086 -0.203) 0.263 11.331 ( -0.023 0.140 0.036) 0.146 11.809 ( -0.543 0.033 -0.609) 0.816 12.000 ( 0.321 -0.002 0.356) 0.480 13.634 ( -0.201 0.011 -0.225) 0.302 13.728 ( 0.183 0.132 0.280) 0.359 14.087 ( -0.173 0.041 -0.217) 0.281 14.165 ( 0.136 0.015 0.162) 0.212 14.441 ( 0.002 -0.033 0.003) 0.033 14.442 ( 0.005 0.046 -0.003) 0.046 19.447 ( -0.672 0.102 -0.378) 0.778 19.622 ( 0.183 1.339 -0.065) 1.353 19.917 ( 0.133 0.858 0.511) 1.008 19.945 ( -0.105 -0.565 0.036) 0.576 19.988 ( -0.014 -1.115 0.025) 1.115 20.015 ( -0.038 0.307 -0.331) 0.453 21.499 ( -0.148 0.302 -0.097) 0.350 21.709 ( 1.937 0.347 2.524) 3.200 21.789 ( -1.307 1.577 -2.339) 3.109 21.968 ( -0.665 -0.170 0.346) 0.769 22.143 ( -0.832 -0.038 -0.684) 1.077 22.508 ( 1.090 -2.181 0.474) 2.484 ======================= Grid point 83 (35/93) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.984 7.819 9.009) 11.969 1.029 ( -2.011 14.991 2.048) 15.263 1.257 ( 2.252 -0.651 0.536) 2.405 1.682 ( 2.441 6.638 -0.758) 7.113 1.740 ( -4.155 7.888 2.885) 9.370 1.894 ( 1.806 -2.164 1.740) 3.313 1.975 ( 4.227 1.324 -1.097) 4.563 2.277 ( 2.011 -4.449 0.190) 4.886 2.310 ( 0.570 -0.439 -4.087) 4.150 2.400 ( 1.578 -3.865 -5.436) 6.854 2.490 ( -2.205 -8.369 3.976) 9.524 2.672 ( 6.447 0.147 2.336) 6.859 2.847 ( -1.059 -3.491 11.564) 12.126 2.868 ( -3.952 2.676 0.907) 4.858 2.994 ( -2.729 1.660 -1.529) 3.541 3.127 ( 4.819 2.635 -2.439) 6.009 3.289 ( 1.982 -5.558 0.859) 5.963 3.398 ( 3.450 -0.028 -0.529) 3.491 3.422 ( -7.263 -3.238 -0.606) 7.975 3.644 ( 1.660 2.372 -5.053) 5.824 3.845 ( -2.088 1.457 1.234) 2.829 3.961 ( 1.486 -2.873 -4.930) 5.897 4.028 ( -0.565 2.811 2.089) 3.548 4.499 ( -0.433 -0.974 -1.662) 1.975 4.756 ( -3.268 2.567 1.376) 4.378 4.949 ( -0.083 1.904 -0.018) 1.906 5.209 ( -1.516 -0.286 -2.535) 2.968 5.318 ( -11.231 -0.002 -12.913) 17.114 5.909 ( 7.743 -1.165 8.016) 11.206 5.992 ( 0.774 0.250 1.223) 1.469 6.361 ( 0.074 -0.048 0.815) 0.820 6.387 ( 0.406 -0.123 0.596) 0.732 6.529 ( 0.487 -0.004 -0.461) 0.671 6.655 ( -0.566 -0.650 0.183) 0.881 6.972 ( 1.402 -0.116 0.010) 1.407 7.021 ( 0.176 -0.533 0.524) 0.768 7.848 ( 0.112 0.799 0.905) 1.212 7.990 ( -0.436 -0.188 -0.866) 0.987 8.075 ( 2.727 -1.217 2.975) 4.216 8.546 ( -1.070 0.643 -1.177) 1.716 8.986 ( 1.503 0.206 1.694) 2.274 9.456 ( -1.077 -0.108 -1.531) 1.876 10.173 ( 0.871 0.118 1.178) 1.470 10.611 ( -1.893 -0.371 -2.362) 3.050 11.319 ( 0.321 -0.062 0.303) 0.446 11.327 ( 0.032 0.367 0.243) 0.441 11.807 ( 0.703 0.191 0.822) 1.098 12.000 ( -0.527 -0.135 -0.667) 0.861 13.636 ( 0.309 -0.093 0.391) 0.507 13.727 ( -0.299 -0.040 -0.122) 0.326 14.088 ( 0.273 -0.112 0.337) 0.448 14.165 ( -0.223 -0.116 -0.256) 0.359 14.442 ( 0.007 -0.070 -0.001) 0.070 14.443 ( -0.011 -0.175 -0.004) 0.176 19.449 ( 1.511 0.266 2.460) 2.899 19.599 ( -0.231 1.221 0.390) 1.302 19.917 ( -0.793 -0.999 -0.107) 1.279 19.955 ( 0.378 -0.262 0.257) 0.527 20.007 ( 0.251 0.363 0.189) 0.480 20.033 ( -0.007 -3.535 -0.539) 3.576 21.495 ( 0.122 0.182 0.428) 0.480 21.692 ( -2.960 0.638 -2.995) 4.259 21.770 ( 1.960 1.152 2.761) 3.577 21.964 ( -1.363 -0.766 -1.329) 2.052 22.138 ( 1.468 1.481 2.423) 3.197 22.553 ( 0.041 -2.527 -1.987) 3.215 ======================= Grid point 84 (36/93) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 8.253 9.682 13.589) 18.615 0.790 ( 7.577 13.119 11.578) 19.067 1.316 ( 3.957 -1.022 1.477) 4.345 1.387 ( 2.208 18.857 12.089) 22.508 1.668 ( -2.312 6.117 -3.971) 7.651 1.894 ( -1.413 -1.239 -0.122) 1.883 2.021 ( 4.854 -1.311 2.665) 5.690 2.281 ( 2.288 -3.550 -4.567) 6.221 2.413 ( -3.302 -3.647 -2.060) 5.334 2.517 ( 8.654 -3.761 0.227) 9.439 2.609 ( -2.007 -4.864 -1.500) 5.472 2.763 ( -4.298 2.752 0.687) 5.150 2.829 ( 4.828 -6.826 8.456) 11.891 2.932 ( 0.453 4.089 -2.652) 4.895 2.946 ( -2.417 -4.300 6.398) 8.079 3.184 ( 10.199 -1.095 6.890) 12.357 3.299 ( -7.186 -0.296 0.293) 7.198 3.387 ( 3.099 2.085 -4.692) 5.997 3.536 ( -0.152 -6.919 -1.441) 7.070 3.570 ( -0.312 1.559 -3.173) 3.549 3.793 ( -2.111 2.314 2.230) 3.845 3.889 ( -0.854 6.662 -7.249) 9.882 4.000 ( -2.925 0.044 -2.120) 3.613 4.521 ( 0.166 -1.791 0.815) 1.974 4.661 ( -9.200 0.589 -6.222) 11.122 4.912 ( -1.641 1.918 -0.858) 2.666 5.077 ( -14.016 1.983 -18.072) 22.956 5.183 ( -1.648 0.927 -2.728) 3.319 6.005 ( 2.619 0.208 2.073) 3.347 6.048 ( 6.840 -0.676 6.333) 9.346 6.377 ( 0.734 -0.431 2.027) 2.198 6.411 ( 1.897 -0.504 2.992) 3.578 6.522 ( -0.073 0.517 -0.781) 0.940 6.672 ( -1.441 -2.212 -0.450) 2.679 6.987 ( 1.287 -0.066 1.276) 1.813 7.042 ( 0.821 -0.664 1.012) 1.463 7.847 ( 0.399 0.479 1.987) 2.083 7.980 ( -0.668 -0.016 -1.473) 1.617 8.162 ( 5.561 -1.226 5.944) 8.232 8.505 ( -2.576 0.730 -2.934) 3.972 9.022 ( 4.155 0.248 4.529) 6.151 9.424 ( -3.120 0.016 -3.991) 5.066 10.197 ( 2.330 0.038 3.128) 3.900 10.569 ( -4.460 -0.439 -5.468) 7.069 11.320 ( 0.107 0.381 0.428) 0.583 11.327 ( 0.350 0.017 0.644) 0.733 11.826 ( 2.201 -0.076 2.221) 3.128 11.989 ( -1.314 -0.170 -1.709) 2.162 13.647 ( 0.778 -0.158 1.021) 1.293 13.725 ( -0.756 -0.441 -0.356) 0.945 14.098 ( 0.674 -0.176 0.818) 1.074 14.162 ( -0.538 -0.175 -0.643) 0.856 14.444 ( 0.021 -0.132 0.026) 0.136 14.447 ( -0.024 -0.226 -0.038) 0.231 19.518 ( 4.342 -2.949 6.159) 8.092 19.583 ( -0.000 0.555 1.353) 1.462 19.934 ( -0.962 -1.568 -0.158) 1.846 19.966 ( 1.012 -0.187 0.712) 1.251 20.008 ( 0.006 -0.169 0.788) 0.806 20.101 ( -0.303 -4.199 -1.404) 4.438 21.499 ( 0.579 0.054 0.940) 1.105 21.635 ( -3.430 0.463 -3.347) 4.814 21.781 ( 1.815 1.213 2.789) 3.541 21.951 ( -1.288 0.003 -3.388) 3.625 22.144 ( 2.367 1.771 5.472) 6.219 22.570 ( -1.930 -1.970 -4.602) 5.366 ======================= Grid point 87 (37/93) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 10.288 0.000 14.572) 17.838 1.130 ( 8.689 0.000 -5.731) 10.408 1.278 ( 7.323 0.000 -10.368) 12.694 1.287 ( 1.639 0.000 5.020) 5.281 1.799 ( -9.554 -0.000 -3.473) 10.165 2.029 ( 0.592 0.000 -11.995) 12.010 2.176 ( -4.496 -0.000 -6.610) 7.994 2.207 ( -2.791 -0.000 -0.154) 2.795 2.366 ( -2.353 -0.000 -5.613) 6.087 2.462 ( 6.885 0.000 11.135) 13.091 2.487 ( -9.613 -0.000 -4.864) 10.773 2.612 ( 3.725 0.000 -0.457) 3.753 2.777 ( -10.540 -0.000 -4.667) 11.527 2.857 ( -3.724 -0.000 0.714) 3.792 3.096 ( 4.459 0.000 6.489) 7.873 3.168 ( -3.759 -0.000 -6.214) 7.263 3.237 ( -2.776 -0.000 -1.716) 3.264 3.560 ( 3.614 0.000 0.368) 3.633 3.600 ( 2.255 0.000 -0.392) 2.288 3.630 ( 1.585 0.000 -3.394) 3.746 3.793 ( -0.832 -0.000 -3.323) 3.425 3.822 ( -3.124 -0.000 -0.063) 3.125 3.928 ( -0.599 -0.000 3.763) 3.810 4.502 ( -3.718 -0.000 -0.153) 3.721 4.527 ( 22.834 0.000 27.806) 35.980 4.805 ( 8.144 0.000 10.224) 13.071 5.050 ( -0.073 -0.000 -6.093) 6.093 5.072 ( 3.370 0.000 3.871) 5.133 6.028 ( -2.263 -0.000 -4.270) 4.832 6.048 ( -3.175 -0.000 -3.947) 5.066 6.432 ( -4.928 -0.000 -3.407) 5.991 6.467 ( -0.238 -0.000 -1.114) 1.139 6.495 ( -0.163 -0.000 0.169) 0.235 6.651 ( 2.009 0.000 3.620) 4.140 7.014 ( -2.778 -0.000 -1.488) 3.152 7.033 ( -2.192 -0.000 -0.322) 2.216 7.920 ( 1.002 0.000 2.200) 2.417 7.934 ( -0.289 -0.000 -1.415) 1.444 8.197 ( -6.551 -0.000 -6.808) 9.448 8.475 ( 3.421 0.000 3.296) 4.750 9.076 ( -5.596 -0.000 -6.847) 8.843 9.362 ( 4.838 0.000 5.571) 7.379 10.258 ( -3.775 -0.000 -4.651) 5.990 10.497 ( 5.514 0.000 6.984) 8.899 11.320 ( -0.590 -0.000 0.174) 0.615 11.324 ( -0.420 -0.000 -0.276) 0.503 11.852 ( -2.297 -0.000 -3.139) 3.890 11.980 ( 1.930 0.000 1.814) 2.648 13.664 ( -1.318 -0.000 -1.200) 1.782 13.724 ( 0.882 0.000 1.434) 1.683 14.115 ( -0.828 -0.000 -1.032) 1.323 14.160 ( 0.838 0.000 0.860) 1.201 14.449 ( -0.020 -0.000 -0.072) 0.075 14.450 ( 0.059 0.000 0.068) 0.090 19.484 ( -4.449 -0.000 -1.199) 4.608 19.704 ( -0.460 -0.000 -2.283) 2.329 19.927 ( -2.167 -0.000 -0.950) 2.367 19.982 ( 0.801 0.000 0.716) 1.075 20.103 ( -0.650 -0.000 2.785) 2.860 20.118 ( -0.685 -0.000 -2.189) 2.294 21.527 ( 0.026 0.000 -1.328) 1.329 21.642 ( 4.338 0.000 4.517) 6.262 21.851 ( 1.570 0.000 -1.498) 2.170 21.922 ( 3.795 0.000 1.352) 4.029 22.252 ( -7.985 -0.000 -7.866) 11.209 22.371 ( 1.204 0.000 6.493) 6.603 ======================= Grid point 88 (38/93) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 5.163 0.756 -0.928) 5.299 1.195 ( 6.311 -3.727 -7.636) 10.585 1.332 ( -0.004 -3.229 -0.973) 3.373 1.357 ( 7.687 -2.086 4.312) 9.058 1.703 ( -5.755 2.142 1.210) 6.259 1.952 ( 0.112 1.852 -10.979) 11.134 2.080 ( -4.081 1.395 -5.775) 7.207 2.139 ( 5.067 4.719 -1.136) 7.016 2.332 ( -5.411 -0.429 -4.860) 7.286 2.392 ( -4.923 -2.022 0.956) 5.407 2.554 ( -2.313 -0.459 -0.073) 2.359 2.637 ( -8.351 0.864 -5.640) 10.114 2.706 ( -0.449 -3.750 5.919) 7.022 2.874 ( -2.341 -5.988 1.339) 6.568 3.045 ( -1.206 3.521 -1.522) 4.021 3.105 ( -0.807 5.722 2.109) 6.152 3.353 ( 5.933 -6.269 3.560) 9.337 3.571 ( 2.157 3.962 -4.983) 6.722 3.590 ( 0.936 -0.032 -0.913) 1.308 3.662 ( 2.884 -2.922 -0.453) 4.130 3.739 ( 0.143 4.450 -0.077) 4.453 3.782 ( -2.305 1.436 0.644) 2.791 3.954 ( -1.756 -2.065 2.010) 3.375 4.483 ( -2.450 -0.705 0.171) 2.555 4.785 ( 11.318 0.313 12.779) 17.073 4.960 ( 6.005 -0.385 6.082) 8.556 5.063 ( 8.600 -1.414 7.383) 11.422 5.133 ( 2.769 -1.464 4.100) 5.160 5.964 ( -7.724 0.040 -8.578) 11.543 5.995 ( -1.789 -0.407 -3.054) 3.563 6.395 ( -1.271 0.073 0.122) 1.279 6.451 ( -0.101 0.917 -0.944) 1.320 6.487 ( -1.472 -0.317 -1.579) 2.182 6.675 ( 0.958 0.478 2.046) 2.309 6.976 ( -2.082 0.586 -1.644) 2.717 7.014 ( -2.140 -0.335 -0.745) 2.291 7.919 ( -0.085 0.542 -1.267) 1.380 7.945 ( 0.932 -0.490 1.597) 1.913 8.111 ( -5.100 0.321 -4.933) 7.103 8.517 ( 2.195 -0.346 2.055) 3.027 9.008 ( -3.522 -0.189 -4.310) 5.569 9.421 ( 2.919 -0.057 3.432) 4.505 10.210 ( -2.233 0.164 -2.874) 3.644 10.570 ( 3.859 0.069 4.956) 6.282 11.315 ( -0.694 -0.082 -0.202) 0.728 11.322 ( -0.273 -0.248 -0.288) 0.469 11.821 ( -1.479 -0.030 -2.100) 2.569 12.000 ( 1.237 0.209 1.190) 1.729 13.648 ( -0.814 0.126 -0.793) 1.143 13.735 ( 0.521 0.187 0.829) 0.997 14.103 ( -0.555 0.161 -0.708) 0.914 14.168 ( 0.532 0.145 0.536) 0.769 14.447 ( -0.004 0.135 -0.040) 0.141 14.450 ( 0.040 0.125 0.041) 0.137 19.444 ( -3.264 -0.357 -1.750) 3.720 19.683 ( 0.178 0.683 -1.840) 1.971 19.910 ( -1.458 -0.354 -0.447) 1.566 19.994 ( 1.140 0.061 0.722) 1.350 20.083 ( -0.653 1.952 -1.816) 2.745 20.088 ( -0.714 2.262 2.061) 3.142 21.520 ( 0.185 0.225 -0.760) 0.814 21.697 ( 4.212 0.699 4.101) 5.920 21.863 ( 1.768 -0.046 -0.685) 1.897 21.959 ( 2.742 -0.147 1.078) 2.950 22.146 ( -7.284 -0.259 -6.502) 9.768 22.411 ( -0.010 -0.574 4.360) 4.398 ======================= Grid point 89 (39/93) ======================= q-point: ( 0.50 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.607 4.779 -2.576) 5.463 1.223 ( -0.017 -0.551 -3.522) 3.565 1.443 ( 1.525 -3.595 3.451) 5.211 1.487 ( 7.860 -7.284 -3.437) 11.254 1.641 ( -1.750 2.585 1.240) 3.359 1.873 ( 0.410 2.195 -0.103) 2.236 2.013 ( -5.026 -1.268 -3.956) 6.521 2.134 ( 9.931 3.069 -0.204) 10.397 2.255 ( -5.018 0.804 -4.705) 6.926 2.445 ( -1.598 -2.702 5.585) 6.407 2.503 ( -4.646 -0.045 -1.215) 4.803 2.597 ( -1.088 -3.573 -0.310) 3.748 2.753 ( -1.333 -1.091 -0.025) 1.723 2.926 ( -0.762 7.372 -0.742) 7.448 3.006 ( -3.100 0.054 4.019) 5.076 3.054 ( 0.965 -6.269 1.020) 6.425 3.415 ( 4.989 6.712 -2.003) 8.600 3.509 ( -3.920 5.049 -5.429) 8.386 3.572 ( 2.667 -3.387 0.898) 4.403 3.656 ( 1.798 3.822 0.329) 4.237 3.749 ( 1.913 -3.263 -0.713) 3.849 3.769 ( -0.987 -1.258 2.855) 3.272 3.990 ( -2.467 -2.762 0.685) 3.767 4.481 ( -1.439 -0.883 -0.914) 1.920 4.890 ( 5.670 1.337 5.023) 7.692 4.964 ( -1.969 -1.334 -3.774) 4.461 5.173 ( 1.676 -0.720 2.338) 2.966 5.285 ( 7.155 -1.949 10.283) 12.678 5.850 ( -5.668 -0.019 -5.711) 8.046 5.985 ( -0.314 -0.390 -0.365) 0.620 6.393 ( 0.254 0.526 0.355) 0.683 6.426 ( 0.300 1.428 -0.644) 1.595 6.478 ( -1.207 -1.253 -0.887) 1.953 6.672 ( -0.195 0.772 0.222) 0.827 6.952 ( -0.226 0.032 -0.945) 0.972 7.003 ( -1.372 -0.406 -0.316) 1.466 7.899 ( 0.144 0.846 -0.964) 1.291 7.968 ( 0.396 -0.577 0.788) 1.054 8.053 ( -2.020 0.494 -1.436) 2.527 8.546 ( 0.788 -0.531 0.658) 1.156 8.978 ( -0.948 -0.285 -1.162) 1.526 9.450 ( 0.831 -0.069 1.071) 1.357 10.184 ( -0.631 0.243 -1.007) 1.213 10.609 ( 1.149 0.050 1.646) 2.008 11.311 ( -0.450 -0.161 -0.300) 0.565 11.325 ( -0.091 -0.371 -0.193) 0.428 11.807 ( -0.310 -0.062 -0.507) 0.597 12.007 ( 0.430 0.271 0.412) 0.654 13.638 ( -0.262 0.140 -0.269) 0.401 13.736 ( 0.129 0.239 0.164) 0.318 14.093 ( -0.157 0.239 -0.240) 0.373 14.170 ( 0.169 0.209 0.156) 0.311 14.444 ( 0.009 0.176 -0.004) 0.177 14.447 ( 0.019 0.196 0.009) 0.197 19.429 ( -1.172 -0.855 -0.861) 1.687 19.664 ( 0.470 0.826 -1.429) 1.716 19.911 ( -0.741 -0.890 -0.111) 1.164 20.001 ( 1.603 1.589 0.966) 2.456 20.026 ( -1.138 1.540 -1.657) 2.532 20.041 ( -0.609 2.977 1.276) 3.295 21.513 ( 0.257 0.418 -0.226) 0.541 21.729 ( 2.350 0.811 2.091) 3.248 21.854 ( 0.690 1.733 -1.336) 2.295 21.983 ( 1.147 0.316 1.303) 1.764 22.090 ( -3.310 -1.921 -2.730) 4.701 22.441 ( -0.759 -1.360 1.742) 2.337 ======================= Grid point 90 (40/93) ======================= q-point: ( 0.62 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 2.219 6.975 5.352) 9.067 1.234 ( 3.286 -0.431 0.875) 3.428 1.488 ( 0.733 1.637 2.898) 3.408 1.529 ( -2.086 2.864 -3.381) 4.898 1.718 ( 3.821 -8.759 -1.688) 9.704 1.895 ( 5.157 -0.025 3.856) 6.440 2.011 ( -4.274 -2.574 1.598) 5.239 2.166 ( 5.050 0.916 -0.762) 5.189 2.201 ( 1.488 -0.330 0.968) 1.806 2.419 ( -2.133 3.512 0.459) 4.134 2.511 ( -3.598 -1.693 0.659) 4.031 2.745 ( -2.969 -6.911 0.613) 7.546 2.759 ( -0.247 6.616 0.341) 6.629 2.774 ( 7.836 -3.063 1.452) 8.538 2.987 ( -5.723 0.664 4.032) 7.032 3.178 ( 2.694 -2.621 -1.824) 4.178 3.312 ( 1.184 7.261 -2.376) 7.731 3.366 ( 3.377 2.397 -1.881) 4.548 3.541 ( -3.808 4.834 2.804) 6.763 3.671 ( 3.848 -0.143 -3.529) 5.223 3.804 ( -0.916 -3.043 2.189) 3.859 3.840 ( 0.296 -3.714 -0.076) 3.726 4.017 ( -2.740 -2.493 -0.001) 3.704 4.474 ( -1.303 -0.603 -2.573) 2.947 4.861 ( -3.672 1.928 -4.332) 5.998 4.978 ( 1.016 0.055 0.965) 1.403 5.187 ( -1.765 -0.705 -2.729) 3.326 5.294 ( -9.891 -1.493 -9.195) 13.587 5.880 ( 7.765 -0.329 9.768) 12.482 5.997 ( 1.156 0.002 2.084) 2.383 6.381 ( -0.023 0.656 -0.132) 0.670 6.398 ( -0.039 1.031 -0.871) 1.350 6.501 ( 0.184 -1.302 0.129) 1.321 6.652 ( -0.945 0.478 -1.045) 1.488 6.959 ( 1.305 -0.449 0.169) 1.390 7.003 ( -0.400 -0.478 0.395) 0.738 7.882 ( 0.448 0.938 -0.171) 1.053 7.977 ( -0.705 -0.507 -0.632) 1.074 8.054 ( 2.366 0.084 3.322) 4.079 8.552 ( -0.888 -0.278 -1.138) 1.470 8.988 ( 1.643 -0.125 1.938) 2.544 9.450 ( -1.166 -0.156 -1.307) 1.759 10.180 ( 0.952 0.248 0.899) 1.332 10.604 ( -1.998 -0.048 -2.191) 2.966 11.312 ( 0.062 -0.263 0.038) 0.273 11.330 ( 0.015 -0.232 -0.058) 0.240 11.812 ( 0.846 0.043 1.034) 1.337 12.002 ( -0.424 0.222 -0.495) 0.688 13.636 ( 0.264 0.079 0.305) 0.411 13.730 ( -0.327 0.185 -0.412) 0.557 14.090 ( 0.288 0.188 0.301) 0.457 14.166 ( -0.208 0.159 -0.256) 0.366 14.441 ( 0.009 0.108 0.016) 0.110 14.444 ( 0.004 0.167 -0.012) 0.168 19.442 ( 0.524 -0.784 0.822) 1.251 19.643 ( 0.193 1.032 -1.098) 1.519 19.922 ( -0.725 -0.870 -0.586) 1.275 19.954 ( 0.115 2.698 -0.142) 2.704 19.998 ( -0.249 1.559 0.955) 1.845 20.017 ( 0.338 -0.007 -0.151) 0.370 21.508 ( 0.379 0.484 0.323) 0.694 21.718 ( -2.071 0.750 -2.151) 3.078 21.825 ( 2.321 1.890 0.989) 3.152 21.971 ( -0.952 1.040 -0.107) 1.415 22.124 ( 1.320 -2.132 1.757) 3.062 22.467 ( -1.258 -2.084 -0.781) 2.556 ======================= Grid point 91 (41/93) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 9.503 6.149 11.522) 16.152 1.295 ( 6.095 1.591 2.787) 6.888 1.315 ( 2.437 11.529 2.356) 12.017 1.609 ( 0.744 -6.200 1.022) 6.327 1.803 ( -5.135 -1.146 -1.938) 5.607 1.942 ( -0.414 2.868 2.076) 3.565 2.006 ( 0.473 -2.234 0.357) 2.311 2.191 ( 0.618 -3.225 -5.006) 5.987 2.333 ( 7.702 0.104 4.849) 9.102 2.352 ( -2.103 0.976 0.273) 2.335 2.453 ( 1.935 -0.489 3.995) 4.466 2.721 ( 0.425 0.993 2.301) 2.542 2.808 ( -0.477 -3.049 4.031) 5.077 2.905 ( -5.094 -1.246 -2.101) 5.650 2.981 ( 3.172 -1.695 6.627) 7.540 3.197 ( 4.547 -0.399 -3.758) 5.912 3.234 ( 6.989 1.122 0.871) 7.132 3.410 ( -6.026 4.913 2.401) 8.137 3.427 ( 4.745 0.049 2.635) 5.427 3.659 ( 1.788 1.083 -5.233) 5.635 3.827 ( -3.939 -0.617 -0.528) 4.022 3.891 ( -0.367 -2.587 -2.336) 3.505 4.034 ( -2.316 -1.326 -0.228) 2.678 4.462 ( -1.060 -1.015 -1.965) 2.453 4.722 ( -11.322 2.112 -10.924) 15.874 4.936 ( -7.525 -0.325 -8.563) 11.404 5.129 ( -2.214 0.635 -5.738) 6.183 5.214 ( -3.496 0.239 -1.032) 3.653 6.014 ( 5.933 -0.009 6.520) 8.815 6.027 ( 3.913 -0.098 5.334) 6.616 6.376 ( 1.000 0.528 1.265) 1.697 6.393 ( 1.109 -0.297 1.152) 1.627 6.514 ( -0.892 -0.739 -1.199) 1.667 6.631 ( -1.677 -0.219 -1.881) 2.530 6.983 ( 1.399 -0.341 0.879) 1.687 7.018 ( 0.601 -0.623 0.811) 1.186 7.873 ( 0.780 0.853 0.937) 1.488 7.971 ( -1.173 -0.440 -1.410) 1.886 8.123 ( 5.692 -0.617 6.807) 8.895 8.526 ( -2.672 0.232 -3.145) 4.134 9.030 ( 4.070 0.115 4.683) 6.205 9.421 ( -3.116 -0.154 -3.706) 4.845 10.201 ( 2.460 0.193 2.847) 3.768 10.556 ( -4.544 -0.218 -5.343) 7.017 11.321 ( 0.367 -0.277 0.390) 0.603 11.332 ( 0.042 0.042 0.113) 0.127 11.830 ( 1.838 0.173 2.151) 2.834 11.986 ( -1.224 0.100 -1.461) 1.908 13.643 ( 0.727 -0.035 0.865) 1.130 13.720 ( -0.769 0.049 -0.833) 1.135 14.095 ( 0.674 0.038 0.790) 1.039 14.158 ( -0.544 0.021 -0.650) 0.848 14.441 ( 0.001 -0.025 0.010) 0.027 14.442 ( -0.002 0.048 -0.011) 0.049 19.474 ( 1.834 -0.667 2.720) 3.348 19.618 ( -0.275 1.076 -0.710) 1.319 19.905 ( -1.094 0.539 -0.646) 1.380 19.940 ( -0.101 -0.723 -0.486) 0.877 19.997 ( 0.374 -0.712 0.727) 1.084 20.017 ( 0.312 0.322 -0.010) 0.448 21.507 ( 0.623 0.390 0.917) 1.175 21.660 ( -3.358 0.794 -3.699) 5.059 21.829 ( 2.515 1.418 2.411) 3.762 21.944 ( -0.977 0.346 -1.248) 1.622 22.183 ( 2.739 -0.340 4.007) 4.865 22.484 ( -2.108 -2.418 -3.005) 4.395 ======================= Grid point 92 (42/93) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 8.681 7.827 7.856) 14.084 1.145 ( 9.404 11.217 9.398) 17.395 1.354 ( 5.387 0.199 -1.841) 5.696 1.606 ( -2.905 8.377 -9.127) 12.725 1.755 ( 0.557 -1.396 7.413) 7.564 1.917 ( 0.494 0.989 5.976) 6.077 2.037 ( -1.462 0.795 2.765) 3.227 2.171 ( -4.045 -2.472 -9.431) 10.555 2.323 ( -1.476 -1.276 0.031) 1.951 2.441 ( 4.839 -7.058 -0.362) 8.565 2.643 ( 6.530 0.497 8.109) 10.423 2.701 ( -5.856 -3.496 2.565) 7.286 2.833 ( -1.876 -1.190 2.638) 3.449 2.948 ( 5.960 -2.291 4.963) 8.087 3.017 ( 3.816 2.908 3.468) 5.920 3.246 ( -8.761 3.578 -1.285) 9.550 3.265 ( 5.750 -3.326 -2.647) 7.151 3.394 ( 8.257 -3.586 8.398) 12.311 3.462 ( 4.569 0.956 -1.674) 4.959 3.607 ( 0.062 2.951 -3.926) 4.912 3.778 ( -5.430 -0.582 -2.199) 5.888 3.896 ( -0.396 0.251 -1.795) 1.855 4.003 ( -2.520 1.680 -1.911) 3.581 4.457 ( -11.614 -1.185 -14.872) 18.907 4.520 ( -5.277 -0.802 -2.595) 5.935 4.810 ( -8.621 0.690 -8.345) 12.018 5.088 ( 2.483 3.565 1.805) 4.705 5.179 ( -1.062 0.958 -1.863) 2.349 6.047 ( 2.432 0.557 2.399) 3.461 6.100 ( 2.410 -0.293 1.929) 3.101 6.396 ( 1.796 -0.164 2.579) 3.147 6.443 ( 3.611 -0.913 4.630) 5.942 6.506 ( -1.530 -0.613 -1.860) 2.485 6.609 ( -3.312 -1.121 -2.932) 4.563 7.002 ( 0.741 -0.139 1.349) 1.546 7.040 ( 0.696 -0.679 0.535) 1.110 7.875 ( 1.017 0.662 2.010) 2.348 7.960 ( -1.165 -0.414 -1.708) 2.109 8.233 ( 6.828 -0.884 7.746) 10.364 8.466 ( -4.322 0.542 -4.976) 6.613 9.102 ( 6.000 0.211 6.730) 9.019 9.362 ( -4.996 -0.014 -5.997) 7.805 10.246 ( 3.933 0.087 4.825) 6.225 10.483 ( -5.824 -0.373 -6.968) 9.089 11.328 ( 0.114 0.090 0.321) 0.353 11.332 ( 0.132 0.027 0.386) 0.409 11.860 ( 2.611 0.050 2.809) 3.836 11.962 ( -1.888 -0.014 -2.384) 3.041 13.658 ( 1.078 -0.164 1.343) 1.729 13.708 ( -1.126 -0.179 -1.074) 1.567 14.108 ( 0.929 -0.121 1.109) 1.452 14.149 ( -0.785 -0.122 -0.960) 1.246 14.442 ( 0.023 -0.082 0.016) 0.086 14.443 ( -0.021 -0.159 -0.022) 0.162 19.529 ( 1.850 -1.494 3.586) 4.302 19.597 ( 0.003 0.475 0.213) 0.520 19.900 ( -0.817 -1.077 0.096) 1.355 19.959 ( 0.054 -1.502 -0.241) 1.522 20.010 ( -0.278 0.218 -0.044) 0.356 20.031 ( 0.450 -2.233 -0.269) 2.294 21.515 ( 1.026 0.184 1.493) 1.821 21.602 ( -2.513 0.575 -3.128) 4.053 21.835 ( 1.866 1.258 2.202) 3.149 21.928 ( -0.419 0.022 -2.322) 2.360 22.226 ( 3.102 1.089 5.811) 6.676 22.481 ( -3.593 -2.099 -5.088) 6.573 ======================= Grid point 96 (43/93) ======================= q-point: ( 0.38 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 6.111 0.000 -10.075) 11.784 1.189 ( 8.173 0.000 2.362) 8.507 1.282 ( -1.825 -0.000 -2.594) 3.172 1.459 ( 6.537 0.000 6.607) 9.294 1.668 ( -6.110 -0.000 -1.167) 6.221 1.904 ( 3.243 0.000 -15.373) 15.712 2.099 ( 1.312 0.000 6.918) 7.042 2.139 ( -6.520 -0.000 -2.526) 6.992 2.316 ( 1.919 0.000 -0.210) 1.930 2.363 ( 5.175 0.000 -2.206) 5.625 2.515 ( -7.059 -0.000 -5.614) 9.020 2.560 ( -3.960 -0.000 5.812) 7.033 2.735 ( 1.819 0.000 9.007) 9.189 2.796 ( -4.885 -0.000 3.456) 5.984 3.021 ( -4.122 -0.000 -1.205) 4.295 3.269 ( 4.255 0.000 3.512) 5.517 3.282 ( 2.516 0.000 -0.214) 2.526 3.591 ( 1.650 0.000 -4.969) 5.236 3.623 ( 2.554 0.000 -0.031) 2.554 3.648 ( 1.792 0.000 -1.035) 2.069 3.770 ( -2.400 -0.000 -0.769) 2.520 3.781 ( -0.283 -0.000 -1.038) 1.076 3.918 ( -3.016 -0.000 0.781) 3.115 4.458 ( -2.017 -0.000 -0.072) 2.018 4.903 ( 6.285 0.000 6.699) 9.186 4.928 ( -2.374 -0.000 -7.541) 7.906 5.157 ( 1.306 0.000 2.777) 3.069 5.243 ( 8.381 0.000 11.493) 14.224 5.853 ( -5.619 -0.000 -5.142) 7.616 5.975 ( 0.174 0.000 -0.311) 0.356 6.403 ( 0.873 0.000 1.334) 1.594 6.451 ( -2.402 -0.000 -2.194) 3.253 6.457 ( 0.255 0.000 -0.876) 0.913 6.690 ( -0.154 -0.000 0.310) 0.346 6.959 ( -1.255 -0.000 -0.943) 1.570 6.991 ( -1.448 -0.000 -0.394) 1.500 7.918 ( 0.300 0.000 -1.284) 1.319 7.953 ( 0.422 0.000 1.010) 1.095 8.066 ( -1.994 -0.000 -1.188) 2.321 8.533 ( 0.825 0.000 0.576) 1.006 8.971 ( -0.972 -0.000 -1.138) 1.496 9.450 ( 0.902 0.000 1.198) 1.499 10.189 ( -0.625 -0.000 -1.118) 1.281 10.610 ( 1.064 0.000 1.699) 2.005 11.307 ( -0.550 -0.000 -0.339) 0.646 11.316 ( -0.149 -0.000 -0.324) 0.357 11.806 ( -0.265 -0.000 -0.513) 0.578 12.013 ( 0.443 0.000 0.384) 0.586 13.641 ( -0.310 -0.000 -0.306) 0.435 13.741 ( 0.047 0.000 0.139) 0.146 14.098 ( -0.161 -0.000 -0.252) 0.299 14.175 ( 0.192 0.000 0.149) 0.243 14.448 ( 0.014 0.000 -0.020) 0.025 14.452 ( 0.015 0.000 0.027) 0.031 19.409 ( -1.652 -0.000 -1.231) 2.061 19.679 ( 0.315 0.000 -2.294) 2.315 19.894 ( -0.895 -0.000 -0.108) 0.902 20.005 ( 0.671 0.000 0.254) 0.717 20.091 ( 0.043 0.000 -1.243) 1.244 20.112 ( -1.230 -0.000 1.631) 2.043 21.522 ( 0.461 0.000 -0.304) 0.552 21.752 ( 2.313 0.000 1.663) 2.849 21.890 ( 3.153 0.000 2.178) 3.832 21.980 ( 1.813 0.000 0.270) 1.833 22.052 ( -5.588 -0.000 -4.776) 7.351 22.418 ( -1.577 -0.000 2.457) 2.919 ======================= Grid point 97 (44/93) ======================= q-point: ( 0.50 0.38 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 2.354 0.548 -5.410) 5.925 1.243 ( 3.665 1.267 1.270) 4.080 1.358 ( 3.170 -6.220 0.712) 7.017 1.462 ( -0.986 0.800 0.389) 1.328 1.643 ( -2.525 -1.112 1.298) 3.049 1.869 ( 7.345 -0.057 -11.642) 13.765 2.067 ( 2.920 4.762 11.705) 12.970 2.217 ( 1.966 -1.136 2.003) 3.028 2.298 ( 4.952 1.563 -0.244) 5.198 2.382 ( -4.622 -0.865 -3.084) 5.623 2.463 ( 2.499 0.612 6.801) 7.271 2.589 ( -2.403 -0.098 3.785) 4.485 2.730 ( -1.799 -0.148 3.221) 3.692 2.900 ( -0.959 -7.055 5.724) 9.135 3.001 ( -0.039 0.295 1.895) 1.918 3.124 ( -1.119 9.014 -0.447) 9.094 3.442 ( -0.315 -6.408 -1.743) 6.649 3.541 ( 2.333 3.755 -4.665) 6.427 3.587 ( 1.698 2.644 -2.063) 3.759 3.700 ( 1.175 -3.130 -0.059) 3.344 3.721 ( -1.542 2.328 0.107) 2.794 3.763 ( 0.015 0.941 -1.619) 1.873 3.921 ( -2.695 -2.336 -0.402) 3.589 4.448 ( -1.341 -0.644 -0.919) 1.749 4.866 ( -4.393 -0.867 -8.312) 9.442 4.977 ( 3.193 -0.067 2.802) 4.248 5.170 ( -1.816 -0.108 -0.367) 1.856 5.229 ( -10.850 -1.436 -10.683) 15.294 5.880 ( 7.363 0.128 10.532) 12.851 5.993 ( 1.854 -0.137 2.701) 3.279 6.390 ( -1.954 -0.046 -2.449) 3.133 6.443 ( 0.290 0.895 -0.681) 1.162 6.462 ( 1.697 -0.577 1.892) 2.606 6.676 ( -1.150 0.517 -1.531) 1.984 6.952 ( 0.509 0.042 0.117) 0.524 6.986 ( -0.504 -0.384 0.153) 0.652 7.910 ( 0.613 0.523 -0.953) 1.248 7.957 ( -0.907 -0.435 -0.534) 1.139 8.069 ( 2.051 0.430 3.534) 4.108 8.537 ( -0.626 -0.357 -0.939) 1.183 8.980 ( 1.727 -0.200 2.161) 2.773 9.448 ( -1.226 0.025 -1.199) 1.715 10.188 ( 1.029 0.134 0.733) 1.271 10.605 ( -2.061 0.046 -2.044) 2.903 11.304 ( -0.145 -0.138 -0.241) 0.313 11.317 ( 0.021 -0.321 -0.271) 0.420 11.812 ( 1.011 -0.018 1.238) 1.598 12.011 ( -0.371 0.197 -0.447) 0.613 13.640 ( 0.229 0.086 0.240) 0.342 13.737 ( -0.375 0.138 -0.537) 0.670 14.097 ( 0.285 0.155 0.266) 0.419 14.173 ( -0.177 0.154 -0.252) 0.344 14.447 ( 0.027 0.132 0.013) 0.135 14.450 ( -0.009 0.129 -0.001) 0.129 19.407 ( 0.389 -0.725 0.198) 0.846 19.667 ( 0.525 0.274 -2.427) 2.499 19.894 ( -0.209 -0.429 0.304) 0.566 20.007 ( -0.382 -0.209 -0.818) 0.927 20.070 ( 0.963 2.259 0.012) 2.456 20.088 ( -1.287 2.038 0.974) 2.599 21.524 ( 0.651 0.302 0.256) 0.762 21.747 ( -1.520 0.667 -2.024) 2.618 21.901 ( 0.918 1.871 0.726) 2.207 21.995 ( -0.003 -0.196 0.062) 0.205 22.039 ( 2.184 -1.683 1.672) 3.225 22.412 ( -2.641 -0.722 0.067) 2.739 ======================= Grid point 98 (45/93) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.250 1.743 0.510) 2.891 1.278 ( 5.026 -0.543 1.055) 5.164 1.375 ( -6.036 -4.329 -1.886) 7.663 1.593 ( 1.305 -6.251 2.448) 6.839 1.649 ( 0.916 1.344 4.096) 4.407 1.892 ( 7.961 1.043 -2.701) 8.471 2.089 ( 3.057 4.122 9.472) 10.773 2.191 ( 2.098 2.857 -1.534) 3.862 2.332 ( 6.618 1.867 7.743) 10.356 2.387 ( -4.425 -4.774 -2.463) 6.960 2.477 ( -0.392 3.129 0.970) 3.299 2.633 ( 0.743 -3.983 8.236) 9.179 2.789 ( 3.918 -2.825 -1.422) 5.036 2.871 ( -1.675 6.542 -4.778) 8.272 3.011 ( -2.976 3.213 7.665) 8.828 3.108 ( 1.988 -6.409 4.247) 7.942 3.402 ( -1.063 3.742 -3.466) 5.210 3.475 ( 5.462 4.834 -2.970) 7.875 3.599 ( 0.230 1.132 0.478) 1.250 3.688 ( 0.979 0.319 -1.362) 1.708 3.744 ( -1.079 -1.545 -0.361) 1.919 3.778 ( 0.247 -3.436 2.534) 4.277 3.934 ( -3.098 -2.674 -2.629) 4.864 4.442 ( -0.786 -0.356 -1.786) 1.984 4.762 ( -12.589 0.022 -13.742) 18.636 4.908 ( -10.794 -1.070 -15.314) 18.767 5.124 ( 0.514 -0.666 0.090) 0.846 5.188 ( -3.255 -1.329 0.120) 3.518 6.012 ( 7.554 0.113 10.699) 13.097 6.033 ( 2.524 0.122 4.153) 4.861 6.375 ( -0.059 -0.467 -0.241) 0.529 6.422 ( 0.775 1.395 -0.217) 1.611 6.491 ( 0.639 -0.363 0.398) 0.836 6.641 ( -1.658 0.545 -2.728) 3.238 6.967 ( 1.499 -0.353 0.904) 1.785 6.996 ( 0.382 -0.550 0.444) 0.804 7.902 ( 0.969 0.680 -0.214) 1.203 7.950 ( -1.570 -0.616 -1.420) 2.205 8.121 ( 5.154 0.391 6.972) 8.680 8.522 ( -2.280 -0.339 -2.785) 3.615 9.028 ( 4.096 -0.184 4.976) 6.448 9.416 ( -3.165 -0.062 -3.497) 4.717 10.209 ( 2.639 0.232 2.626) 3.730 10.554 ( -4.632 0.059 -5.204) 6.967 11.308 ( 0.243 -0.335 0.034) 0.415 11.323 ( 0.105 -0.433 -0.199) 0.487 11.835 ( 1.923 0.071 2.480) 3.139 11.995 ( -1.181 0.306 -1.302) 1.784 13.645 ( 0.696 0.102 0.760) 1.036 13.725 ( -0.770 0.178 -1.049) 1.314 14.101 ( 0.674 0.227 0.746) 1.030 14.164 ( -0.532 0.225 -0.644) 0.866 14.445 ( 0.024 0.184 0.035) 0.189 14.447 ( -0.022 0.193 -0.024) 0.196 19.440 ( 1.617 -1.103 1.691) 2.587 19.649 ( 0.194 0.564 -2.551) 2.619 19.905 ( 0.002 -0.456 0.221) 0.507 19.988 ( -1.028 1.070 -1.566) 2.157 20.036 ( -0.972 2.340 0.798) 2.657 20.041 ( 1.497 2.175 0.797) 2.758 21.525 ( 0.818 0.540 0.897) 1.329 21.690 ( -3.788 0.857 -3.819) 5.447 21.883 ( 1.619 1.459 1.269) 2.522 21.978 ( -1.399 0.903 -0.886) 1.887 22.129 ( 5.154 -1.816 4.829) 7.292 22.404 ( -3.123 -1.773 -2.179) 4.201 ======================= Grid point 99 (46/93) ======================= q-point: (-0.25 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 5.288 1.336 5.001) 7.400 1.341 ( 6.077 -0.810 -2.129) 6.490 1.439 ( -2.858 -5.258 -0.481) 6.004 1.624 ( 3.943 4.485 11.825) 13.247 1.695 ( -3.303 -4.120 -3.596) 6.389 1.922 ( -0.846 -0.330 1.425) 1.690 2.050 ( 0.380 3.509 6.501) 7.397 2.156 ( 1.196 1.489 -2.638) 3.257 2.372 ( -4.644 0.486 -3.649) 5.926 2.407 ( -0.468 4.021 -2.615) 4.819 2.485 ( 8.693 -3.375 9.581) 13.370 2.698 ( 0.016 -1.784 -4.033) 4.410 2.797 ( 2.088 -1.973 1.738) 3.358 2.856 ( 1.474 1.006 0.679) 1.909 3.016 ( 0.824 -1.227 9.053) 9.173 3.207 ( 2.060 -1.059 -1.507) 2.764 3.344 ( 1.916 2.904 4.307) 5.536 3.456 ( 4.007 1.799 1.836) 4.761 3.552 ( 4.605 4.923 2.691) 7.258 3.659 ( -0.638 0.776 -3.983) 4.108 3.767 ( -3.974 -0.954 -0.967) 4.199 3.847 ( 1.124 -1.791 2.093) 2.975 3.954 ( -2.014 -3.871 -2.885) 5.231 4.418 ( -5.454 -0.458 -8.669) 10.252 4.511 ( -15.757 -0.371 -14.064) 21.124 4.801 ( -5.494 -1.183 -9.222) 10.800 5.158 ( 2.707 0.241 2.559) 3.733 5.185 ( -2.404 -0.648 0.434) 2.527 6.069 ( 2.342 0.555 3.590) 4.322 6.095 ( 2.485 0.045 4.141) 4.830 6.408 ( 2.547 0.007 3.074) 3.992 6.414 ( 2.304 0.218 1.711) 2.878 6.486 ( -1.343 -0.098 -1.657) 2.135 6.599 ( -2.456 0.264 -3.736) 4.479 6.991 ( 0.761 -0.429 1.019) 1.342 7.016 ( 1.194 -0.650 0.289) 1.390 7.901 ( 1.340 0.685 0.826) 1.717 7.939 ( -1.813 -0.681 -1.853) 2.680 8.214 ( 6.821 -0.128 8.501) 10.900 8.477 ( -4.083 0.032 -4.878) 6.362 9.106 ( 5.834 -0.023 6.906) 9.041 9.359 ( -4.873 -0.103 -5.614) 7.434 10.253 ( 4.118 0.259 4.511) 6.114 10.474 ( -5.964 -0.058 -6.917) 9.133 11.319 ( 0.343 -0.431 0.226) 0.596 11.330 ( 0.066 -0.293 -0.141) 0.332 11.866 ( 2.410 0.193 3.011) 3.861 11.967 ( -1.886 0.283 -2.122) 2.853 13.656 ( 1.035 0.034 1.187) 1.576 13.708 ( -1.086 0.123 -1.346) 1.734 14.109 ( 0.910 0.175 1.075) 1.419 14.150 ( -0.802 0.164 -0.968) 1.268 14.442 ( 0.009 0.127 0.034) 0.132 14.443 ( -0.021 0.153 -0.028) 0.157 19.488 ( 1.934 -1.101 2.629) 3.445 19.622 ( -0.529 0.650 -2.497) 2.633 19.900 ( -0.903 0.549 -0.305) 1.100 19.951 ( 0.297 1.559 -0.715) 1.740 20.003 ( -0.337 0.640 0.859) 1.123 20.029 ( 0.676 0.854 0.148) 1.099 21.529 ( 0.954 0.572 1.529) 1.891 21.625 ( -3.291 0.632 -3.505) 4.849 21.883 ( 1.409 1.219 1.658) 2.494 21.941 ( -1.173 0.868 -1.368) 2.001 22.227 ( 4.891 -0.896 5.306) 7.272 22.399 ( -3.339 -2.320 -3.801) 5.566 ======================= Grid point 100 (47/93) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 3.767 2.886 1.434) 4.957 1.376 ( 5.418 -0.267 -5.734) 7.893 1.443 ( 6.043 7.088 6.960) 11.628 1.649 ( -0.975 2.764 -5.834) 6.528 1.726 ( -1.093 -3.960 9.584) 10.428 1.891 ( -5.714 -1.318 -1.087) 5.963 2.010 ( -9.220 1.777 -3.208) 9.922 2.173 ( 9.102 0.977 5.099) 10.479 2.294 ( -3.857 0.382 -2.979) 4.888 2.380 ( 2.693 -2.919 0.107) 3.973 2.579 ( -7.374 -2.665 -0.865) 7.888 2.751 ( 4.099 -1.563 -0.743) 4.450 2.823 ( 1.621 1.859 3.719) 4.462 2.913 ( 3.552 -5.386 3.016) 7.122 3.118 ( 4.015 -1.499 3.657) 5.634 3.209 ( 1.652 -0.495 -3.435) 3.843 3.274 ( -6.005 5.536 -0.264) 8.172 3.507 ( 3.895 1.333 5.195) 6.629 3.543 ( 6.449 2.062 1.560) 6.948 3.630 ( -0.806 -0.206 -1.393) 1.622 3.694 ( -4.674 1.309 -3.967) 6.269 3.875 ( -1.585 -1.544 -3.896) 4.480 4.015 ( 6.417 -0.396 7.519) 9.892 4.217 ( -13.312 -0.599 -15.590) 20.509 4.499 ( 0.180 -1.655 5.070) 5.336 4.737 ( -2.731 -0.197 -5.394) 6.049 5.168 ( -1.637 0.594 -0.754) 1.897 5.179 ( 2.355 1.464 2.246) 3.568 6.089 ( 1.553 0.801 1.987) 2.646 6.108 ( -0.627 0.133 -0.490) 0.807 6.428 ( 2.199 0.207 2.584) 3.399 6.456 ( -1.779 -0.727 -1.994) 2.769 6.493 ( 3.824 -0.879 4.382) 5.882 6.547 ( -3.864 -0.090 -4.631) 6.032 7.004 ( -0.296 -0.383 0.348) 0.596 7.037 ( 0.862 -0.468 0.031) 0.982 7.908 ( 1.504 0.648 1.787) 2.424 7.927 ( -1.607 -0.779 -1.893) 2.603 8.323 ( 6.596 -0.405 7.823) 10.240 8.399 ( -5.732 0.376 -6.721) 8.842 9.199 ( 6.558 0.097 7.589) 10.031 9.277 ( -6.172 0.026 -7.267) 9.534 10.319 ( 5.352 0.184 6.203) 8.195 10.387 ( -5.947 -0.272 -7.006) 9.194 11.329 ( 0.128 -0.229 0.194) 0.326 11.333 ( -0.028 -0.121 -0.056) 0.136 11.900 ( 2.479 0.156 2.916) 3.831 11.931 ( -2.251 0.174 -2.709) 3.527 13.673 ( 1.200 -0.099 1.444) 1.881 13.689 ( -1.239 -0.016 -1.410) 1.877 14.121 ( 0.787 0.018 1.026) 1.293 14.136 ( -0.741 0.011 -0.988) 1.234 14.441 ( -0.008 0.000 0.008) 0.012 14.442 ( 0.001 0.020 -0.008) 0.022 19.533 ( 0.447 -0.831 1.782) 2.017 19.599 ( -0.060 -0.060 -1.170) 1.173 19.885 ( -0.620 -0.015 0.341) 0.707 19.936 ( 0.325 -0.165 -0.511) 0.627 20.007 ( -0.159 -0.175 0.220) 0.323 20.021 ( 0.299 0.108 -0.089) 0.330 21.536 ( 0.482 0.353 1.390) 1.513 21.580 ( -1.154 0.350 -1.827) 2.189 21.874 ( 0.053 0.899 0.660) 1.116 21.922 ( 0.618 0.415 -0.819) 1.106 22.295 ( 2.916 0.111 4.558) 5.413 22.387 ( -3.021 -1.707 -4.126) 5.391 ======================= Grid point 105 (48/93) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.127 0.000 -5.978) 5.979 1.251 ( -14.124 -0.000 -5.823) 15.277 1.260 ( 6.459 0.000 -6.715) 9.317 1.517 ( 2.948 0.000 7.564) 8.118 1.646 ( 1.659 0.000 7.263) 7.450 1.917 ( 16.765 0.000 -6.488) 17.976 2.192 ( -3.082 -0.000 -6.114) 6.847 2.270 ( 4.566 0.000 12.528) 13.334 2.285 ( 3.400 0.000 13.812) 14.224 2.398 ( -0.239 -0.000 -2.946) 2.956 2.556 ( 5.696 0.000 2.269) 6.132 2.591 ( 0.904 0.000 9.050) 9.095 2.762 ( -3.225 -0.000 2.873) 4.319 2.821 ( -2.594 -0.000 9.035) 9.400 3.048 ( 5.429 0.000 5.127) 7.468 3.231 ( -7.523 -0.000 -5.103) 9.090 3.305 ( 0.644 0.000 1.920) 2.025 3.564 ( 2.848 0.000 -6.387) 6.993 3.610 ( -0.813 -0.000 -3.241) 3.341 3.663 ( 0.758 0.000 -0.643) 0.994 3.733 ( -0.352 -0.000 -1.034) 1.092 3.774 ( 2.415 0.000 -2.371) 3.384 3.868 ( -2.851 -0.000 -0.942) 3.002 4.433 ( -0.169 -0.000 0.129) 0.213 4.752 ( -10.337 -0.000 -12.583) 16.285 4.883 ( -14.828 -0.000 -19.659) 24.624 5.107 ( 0.920 0.000 1.426) 1.698 5.157 ( -2.896 -0.000 0.326) 2.914 6.016 ( 7.301 0.000 11.260) 13.420 6.034 ( 2.817 0.000 4.684) 5.466 6.364 ( -0.219 -0.000 -0.620) 0.658 6.456 ( 0.683 0.000 -0.525) 0.862 6.482 ( 1.653 0.000 1.436) 2.190 6.654 ( -1.948 -0.000 -3.144) 3.698 6.961 ( 1.220 0.000 0.730) 1.422 6.984 ( 0.507 0.000 0.297) 0.588 7.917 ( 0.984 0.000 -0.807) 1.273 7.935 ( -1.745 -0.000 -1.362) 2.214 8.132 ( 4.778 0.000 6.866) 8.365 8.514 ( -1.977 -0.000 -2.449) 3.147 9.023 ( 4.180 0.000 5.148) 6.631 9.416 ( -3.311 -0.000 -3.523) 4.835 10.214 ( 2.738 0.000 2.594) 3.771 10.556 ( -4.658 -0.000 -5.098) 6.906 11.301 ( 0.151 0.000 -0.195) 0.247 11.313 ( 0.180 0.000 -0.302) 0.351 11.836 ( 2.017 0.000 2.645) 3.326 12.002 ( -1.132 -0.000 -1.286) 1.713 13.647 ( 0.694 0.000 0.712) 0.994 13.729 ( -0.781 -0.000 -1.132) 1.376 14.106 ( 0.677 0.000 0.727) 0.993 14.169 ( -0.515 -0.000 -0.636) 0.819 14.449 ( 0.044 0.000 0.036) 0.057 14.451 ( -0.041 -0.000 -0.019) 0.045 19.415 ( 1.806 0.000 1.458) 2.321 19.659 ( 0.764 0.000 -3.316) 3.403 19.895 ( 0.490 0.000 0.849) 0.980 19.993 ( -0.946 -0.000 -1.428) 1.713 20.097 ( -1.778 -0.000 0.530) 1.856 20.104 ( 1.663 0.000 0.537) 1.748 21.537 ( 1.024 0.000 0.970) 1.410 21.710 ( -4.137 -0.000 -4.103) 5.827 21.918 ( -0.882 -0.000 0.688) 1.119 21.986 ( -0.738 -0.000 -0.840) 1.119 22.094 ( 7.596 0.000 5.772) 9.540 22.372 ( -3.899 -0.000 -1.928) 4.349 ======================= Grid point 106 (49/93) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -7.046 -2.369 -2.836) 7.956 1.153 ( -9.472 -5.800 -7.729) 13.532 1.325 ( 7.690 -2.403 -3.841) 8.926 1.534 ( -2.119 -0.767 -0.356) 2.282 1.719 ( 4.399 0.975 9.951) 10.923 2.049 ( 12.257 0.931 0.295) 12.296 2.153 ( 0.288 -0.307 0.744) 0.855 2.259 ( -1.551 5.930 1.819) 6.394 2.330 ( -0.828 0.945 4.438) 4.613 2.462 ( 3.393 -1.283 5.564) 6.642 2.553 ( 3.442 4.299 5.261) 7.616 2.671 ( 2.756 -0.129 8.858) 9.278 2.748 ( 0.608 -1.600 1.204) 2.093 2.914 ( -0.830 -0.289 -0.430) 0.978 3.019 ( -4.770 1.893 0.239) 5.138 3.147 ( 3.276 1.463 5.389) 6.474 3.396 ( 0.404 -2.898 4.799) 5.621 3.552 ( 3.750 1.361 -5.937) 7.153 3.585 ( 1.211 -1.290 -2.405) 2.986 3.671 ( -0.969 -0.007 -1.626) 1.892 3.720 ( -1.366 -0.151 1.368) 1.939 3.799 ( 5.830 -1.140 -0.236) 5.945 3.856 ( -1.465 -0.558 -0.149) 1.575 4.429 ( -6.066 0.907 -7.675) 9.824 4.479 ( -18.047 -1.244 -18.595) 25.943 4.740 ( -5.136 -1.414 -10.279) 11.578 5.135 ( -3.099 -0.782 0.529) 3.239 5.153 ( 2.054 -0.705 3.324) 3.971 6.083 ( 2.550 0.184 4.745) 5.390 6.100 ( 1.939 0.121 5.120) 5.476 6.392 ( 4.004 -0.219 3.742) 5.485 6.452 ( 1.036 0.902 0.083) 1.376 6.492 ( -0.251 0.085 -0.708) 0.756 6.612 ( -2.507 0.256 -4.300) 4.984 6.979 ( 1.321 -0.126 0.725) 1.512 6.996 ( 1.217 -0.404 0.080) 1.285 7.913 ( -1.413 -0.214 -1.339) 1.958 7.922 ( 0.707 0.067 -0.614) 0.939 8.219 ( 6.080 0.217 8.235) 10.239 8.474 ( -3.426 -0.091 -4.185) 5.409 9.102 ( 5.880 -0.108 7.160) 9.265 9.355 ( -5.052 -0.071 -5.561) 7.513 10.262 ( 4.325 0.178 4.441) 6.202 10.476 ( -6.065 0.065 -6.844) 9.145 11.305 ( 0.287 -0.257 -0.125) 0.405 11.316 ( 0.250 -0.310 -0.323) 0.513 11.871 ( 2.480 0.075 3.308) 4.135 11.978 ( -1.838 0.228 -2.066) 2.774 13.659 ( 1.040 0.070 1.084) 1.504 13.713 ( -1.076 0.104 -1.503) 1.851 14.116 ( 0.927 0.152 1.053) 1.411 14.158 ( -0.812 0.164 -0.970) 1.276 14.448 ( 0.039 0.143 0.052) 0.157 14.450 ( -0.053 0.120 -0.035) 0.136 19.450 ( 2.317 -0.702 2.306) 3.344 19.641 ( 0.513 0.364 -4.249) 4.295 19.908 ( 0.827 -0.062 1.050) 1.338 19.977 ( -0.909 -0.045 -1.624) 1.862 20.066 ( -1.794 1.712 0.243) 2.492 20.103 ( 1.789 2.058 0.827) 2.849 21.551 ( 1.306 0.461 1.827) 2.293 21.646 ( -4.285 0.397 -3.956) 5.845 21.913 ( -0.015 0.451 1.410) 1.480 21.968 ( -1.968 0.239 -1.248) 2.342 22.200 ( 8.222 -0.246 6.164) 10.279 22.330 ( -4.289 -1.064 -3.626) 5.716 ======================= Grid point 107 (50/93) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -4.917 -5.028 0.503) 7.050 1.204 ( -6.837 -12.767 -1.893) 14.606 1.390 ( 6.448 0.312 -3.652) 7.417 1.558 ( -2.121 -4.953 -2.959) 6.147 1.777 ( 3.618 2.095 9.468) 10.350 2.024 ( -0.655 6.651 0.877) 6.740 2.117 ( -5.885 4.940 -0.902) 7.736 2.187 ( 1.218 -1.462 -2.771) 3.361 2.309 ( -2.937 1.808 2.886) 4.497 2.461 ( -0.728 3.086 -0.860) 3.285 2.596 ( 8.781 1.749 5.290) 10.400 2.706 ( 1.839 4.332 0.215) 4.711 2.797 ( 3.205 -0.495 -1.434) 3.546 2.825 ( -1.126 -3.895 0.058) 4.054 3.083 ( 0.283 -1.367 5.419) 5.596 3.173 ( 1.039 -0.802 2.181) 2.546 3.415 ( -0.498 3.255 1.514) 3.625 3.542 ( 4.172 0.959 0.888) 4.372 3.596 ( -3.188 -0.324 -3.376) 4.654 3.650 ( -0.615 0.621 -2.127) 2.300 3.740 ( -1.120 -1.102 4.043) 4.337 3.811 ( -3.051 -1.753 -8.279) 8.996 3.974 ( 16.233 -0.421 15.653) 22.554 4.143 ( -18.730 -2.738 -21.132) 28.370 4.473 ( 1.611 0.012 3.359) 3.725 4.687 ( -3.545 -2.076 -7.770) 8.789 5.131 ( -3.495 -1.724 -0.058) 3.897 5.200 ( 1.730 -0.425 3.030) 3.515 6.113 ( -0.889 0.218 1.067) 1.406 6.117 ( 1.496 0.559 3.081) 3.470 6.447 ( 1.112 0.598 0.639) 1.415 6.456 ( 2.195 0.595 1.598) 2.779 6.476 ( 1.738 -0.054 1.641) 2.391 6.556 ( -3.315 0.338 -5.296) 6.258 6.990 ( 0.129 -0.249 -0.139) 0.313 7.019 ( 1.635 -0.546 -0.001) 1.723 7.898 ( -2.020 -0.674 -1.751) 2.757 7.929 ( 1.598 0.347 0.578) 1.735 8.315 ( 6.234 -0.059 8.021) 10.159 8.410 ( -5.030 0.216 -6.169) 7.963 9.199 ( 6.516 -0.074 7.792) 10.157 9.275 ( -6.155 -0.142 -6.996) 9.319 10.329 ( 5.567 0.309 6.023) 8.208 10.383 ( -6.150 0.034 -7.057) 9.361 11.314 ( 0.257 -0.483 -0.021) 0.548 11.323 ( 0.157 -0.391 -0.380) 0.567 11.908 ( 2.469 0.209 3.258) 4.093 11.941 ( -2.414 0.335 -2.675) 3.619 13.674 ( 1.195 0.073 1.314) 1.778 13.692 ( -1.222 0.133 -1.603) 2.020 14.127 ( 0.875 0.242 1.081) 1.411 14.140 ( -0.878 0.205 -1.086) 1.411 14.445 ( 0.001 0.195 0.035) 0.198 14.446 ( -0.029 0.184 -0.026) 0.188 19.498 ( 1.833 -0.961 2.371) 3.148 19.607 ( -0.633 0.504 -4.739) 4.808 19.912 ( 0.140 0.822 0.826) 1.173 19.965 ( 0.215 0.169 -1.224) 1.254 20.021 ( -1.271 1.562 0.304) 2.037 20.074 ( 1.289 2.801 0.641) 3.149 21.559 ( 0.448 0.856 1.737) 1.988 21.591 ( -2.222 0.234 -2.184) 3.125 21.910 ( -1.208 0.825 0.300) 1.494 21.939 ( -0.569 0.338 -0.109) 0.670 22.274 ( -0.795 -0.870 -0.627) 1.335 22.328 ( 3.801 -1.204 1.598) 4.295 ======================= Grid point 108 (51/93) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -4.124 -4.355 -4.071) 7.249 1.374 ( -1.757 -0.774 -4.610) 4.993 1.440 ( -0.074 -9.575 3.872) 10.329 1.622 ( 1.565 -3.260 -0.779) 3.699 1.812 ( 0.153 -0.031 0.421) 0.449 1.862 ( -3.194 9.212 6.094) 11.498 1.954 ( -10.014 2.140 -7.448) 12.663 2.202 ( 0.306 -2.145 -5.889) 6.275 2.298 ( 1.955 0.178 6.116) 6.423 2.405 ( 2.988 2.739 0.771) 4.126 2.548 ( -2.089 4.883 -0.757) 5.365 2.693 ( 0.861 -1.211 -5.329) 5.532 2.845 ( -0.667 -1.375 1.930) 2.462 2.920 ( 4.346 -3.185 -0.329) 5.398 3.104 ( 1.085 0.490 0.247) 1.216 3.190 ( -4.181 -0.945 -1.136) 4.435 3.319 ( -3.200 4.427 -3.361) 6.414 3.498 ( -6.775 1.276 -6.078) 9.190 3.586 ( -4.740 0.096 -6.845) 8.326 3.594 ( 3.578 -0.868 4.041) 5.467 3.745 ( 2.273 2.392 4.338) 5.451 3.823 ( 2.390 -1.364 -1.571) 3.169 4.044 ( -5.611 -3.707 -5.256) 8.535 4.233 ( 20.137 0.909 21.335) 29.352 4.512 ( 0.362 -0.341 5.122) 5.146 4.685 ( 1.630 -2.372 -2.288) 3.677 5.133 ( -2.536 -1.444 -1.085) 3.113 5.226 ( 0.663 0.413 2.371) 2.496 6.093 ( -2.176 0.249 -1.338) 2.567 6.122 ( 0.168 1.018 0.717) 1.257 6.419 ( -2.231 0.237 -2.612) 3.443 6.462 ( 0.969 0.266 0.497) 1.121 6.488 ( -3.111 0.380 -4.427) 5.424 6.543 ( 4.286 -0.449 4.343) 6.118 6.990 ( -0.607 -0.359 -1.016) 1.237 7.037 ( 0.711 -0.323 -0.294) 0.834 7.887 ( -1.713 -0.881 -1.608) 2.509 7.941 ( 1.688 0.420 1.397) 2.231 8.313 ( -6.523 0.621 -7.837) 10.215 8.410 ( 5.398 -0.348 6.599) 8.533 9.182 ( -6.463 0.005 -7.480) 9.886 9.295 ( 6.045 0.013 7.040) 9.279 10.300 ( -5.173 -0.164 -5.982) 7.910 10.409 ( 6.190 0.301 6.969) 9.326 11.324 ( 0.118 -0.469 0.049) 0.486 11.327 ( -0.067 -0.275 -0.437) 0.521 11.897 ( -2.661 0.279 -2.926) 3.965 11.941 ( 2.207 0.221 2.734) 3.521 13.671 ( -1.205 0.081 -1.464) 1.897 13.691 ( 1.184 -0.020 1.375) 1.815 14.119 ( -0.987 0.169 -1.087) 1.477 14.140 ( 0.890 0.133 0.989) 1.337 14.442 ( -0.004 0.126 0.021) 0.128 14.443 ( -0.019 0.147 -0.018) 0.149 19.524 ( -0.961 -0.229 -0.790) 1.265 19.582 ( 0.194 -0.846 -1.437) 1.679 19.896 ( -0.012 1.122 1.080) 1.557 19.951 ( 0.476 1.096 -0.697) 1.383 20.005 ( -0.134 -0.100 0.307) 0.349 20.037 ( 0.232 1.917 -0.085) 1.933 21.536 ( -1.853 0.348 -1.254) 2.265 21.591 ( 1.689 0.314 2.343) 2.905 21.871 ( -2.295 0.454 -1.579) 2.822 21.945 ( 1.364 0.580 1.447) 2.072 22.258 ( -4.438 -2.061 -4.305) 6.517 22.399 ( 5.607 0.508 4.060) 6.942 ======================= Grid point 114 (52/93) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -16.835 -0.000 -7.336) 18.364 1.005 ( -8.001 -0.000 -3.800) 8.857 1.354 ( 7.857 0.000 -0.034) 7.857 1.486 ( -2.984 -0.000 -6.876) 7.495 1.856 ( 9.499 0.000 11.931) 15.250 2.005 ( -3.862 -0.000 -8.162) 9.030 2.233 ( -12.689 -0.000 -10.335) 16.365 2.264 ( 4.617 0.000 3.567) 5.835 2.437 ( -2.819 -0.000 5.837) 6.482 2.451 ( 9.716 0.000 10.389) 14.224 2.685 ( 6.476 0.000 0.883) 6.536 2.693 ( -3.197 -0.000 8.339) 8.931 2.802 ( 5.704 0.000 0.012) 5.704 2.877 ( -3.829 -0.000 8.022) 8.889 3.035 ( -4.395 -0.000 0.855) 4.477 3.163 ( 4.462 0.000 -3.124) 5.447 3.434 ( 1.585 0.000 12.559) 12.659 3.551 ( 2.331 0.000 -4.268) 4.863 3.577 ( 1.304 0.000 -2.728) 3.024 3.652 ( 0.707 0.000 -2.938) 3.022 3.733 ( -3.830 -0.000 -7.301) 8.245 3.733 ( 0.105 0.000 -0.535) 0.545 3.983 ( 16.201 0.000 16.304) 22.984 4.082 ( -25.459 -0.000 -28.013) 37.854 4.475 ( 2.774 0.000 3.366) 4.362 4.642 ( -3.755 -0.000 -7.778) 8.637 5.090 ( -4.778 -0.000 -0.076) 4.779 5.185 ( 1.717 0.000 3.176) 3.610 6.117 ( -1.293 -0.000 1.322) 1.849 6.129 ( 1.893 0.000 4.050) 4.470 6.463 ( 5.631 0.000 4.738) 7.359 6.468 ( 0.775 0.000 -0.111) 0.783 6.478 ( -1.093 -0.000 -1.001) 1.482 6.562 ( -3.170 -0.000 -5.475) 6.326 6.996 ( 1.793 0.000 0.257) 1.811 6.998 ( 0.782 0.000 -0.696) 1.047 7.884 ( -2.040 -0.000 -1.566) 2.572 7.934 ( 1.455 0.000 -0.074) 1.457 8.315 ( 5.791 0.000 7.746) 9.671 8.414 ( -4.478 -0.000 -5.575) 7.151 9.197 ( 6.556 0.000 7.920) 10.282 9.270 ( -6.425 -0.000 -7.046) 9.536 10.336 ( 5.717 0.000 6.054) 8.326 10.385 ( -6.226 -0.000 -7.038) 9.397 11.303 ( 0.226 0.000 -0.249) 0.336 11.314 ( 0.346 0.000 -0.430) 0.552 11.912 ( 2.516 0.000 3.414) 4.241 11.950 ( -2.308 -0.000 -2.732) 3.577 13.676 ( 1.233 0.000 1.235) 1.745 13.695 ( -1.224 -0.000 -1.694) 2.090 14.132 ( 1.013 0.000 1.181) 1.556 14.145 ( -1.017 -0.000 -1.206) 1.578 14.450 ( -0.082 -0.000 -0.047) 0.095 14.450 ( 0.053 0.000 0.062) 0.081 19.477 ( 2.282 0.000 2.459) 3.355 19.624 ( 0.909 0.000 -6.236) 6.302 19.924 ( 1.333 0.000 1.424) 1.951 19.959 ( -0.753 -0.000 -1.621) 1.787 20.067 ( -2.046 -0.000 -0.034) 2.046 20.144 ( 1.883 0.000 0.873) 2.075 21.583 ( 1.881 0.000 3.097) 3.624 21.594 ( -3.779 -0.000 -3.232) 4.973 21.921 ( -0.640 -0.000 1.682) 1.800 21.944 ( -2.599 -0.000 -1.044) 2.801 22.256 ( -4.954 -0.000 -4.883) 6.956 22.310 ( 9.204 0.000 5.931) 10.949 ======================= Grid point 115 (53/93) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -12.172 -13.912 -3.073) 18.739 0.948 ( -12.308 -4.861 0.485) 13.242 1.414 ( 1.450 0.375 -5.513) 5.713 1.464 ( 3.198 -3.447 0.156) 4.704 1.875 ( -3.375 3.311 -3.223) 5.722 2.000 ( -21.734 -0.828 -17.152) 27.700 2.053 ( 6.978 -2.881 5.431) 9.299 2.196 ( -3.202 6.095 -1.030) 6.962 2.416 ( 0.413 3.797 4.276) 5.733 2.548 ( 4.443 4.998 6.998) 9.679 2.701 ( -2.762 -1.476 -3.853) 4.965 2.722 ( 8.130 0.599 1.021) 8.216 2.834 ( 2.902 0.412 -0.857) 3.053 2.904 ( 3.733 5.240 9.106) 11.149 3.007 ( -2.660 -2.505 6.444) 7.408 3.210 ( 2.774 -0.153 -1.985) 3.414 3.478 ( -0.993 3.445 -1.516) 3.893 3.535 ( -5.240 -0.905 -1.235) 5.459 3.554 ( -1.637 -0.195 -1.362) 2.138 3.609 ( -2.436 1.711 -8.728) 9.222 3.702 ( 2.121 -4.433 -2.571) 5.546 3.765 ( 0.529 -1.176 1.983) 2.366 3.827 ( -12.548 -6.221 -12.662) 18.880 4.275 ( 23.602 0.611 25.346) 34.639 4.520 ( 2.887 0.528 3.993) 4.956 4.595 ( -1.117 -1.673 -4.402) 4.840 5.062 ( -4.869 -1.598 -0.373) 5.138 5.215 ( 0.669 -0.492 2.567) 2.698 6.101 ( -2.432 0.165 -0.585) 2.507 6.153 ( 0.527 0.518 1.970) 2.104 6.441 ( -2.357 0.574 -2.166) 3.252 6.465 ( -0.883 -0.087 -2.357) 2.518 6.505 ( -2.087 0.328 -4.027) 4.547 6.543 ( 5.623 0.262 4.427) 7.161 6.988 ( 0.102 0.435 -1.199) 1.279 7.020 ( 1.436 -0.644 -0.474) 1.643 7.863 ( -1.884 -0.329 -1.273) 2.298 7.948 ( 1.572 -0.052 0.456) 1.638 8.334 ( -5.526 0.396 -7.009) 8.934 8.400 ( 4.888 -0.116 6.402) 8.056 9.176 ( -6.628 -0.250 -7.382) 9.924 9.293 ( 6.076 -0.045 7.216) 9.433 10.299 ( -5.356 0.041 -6.055) 8.085 10.421 ( 6.377 0.269 6.922) 9.415 11.307 ( 0.144 -0.349 -0.207) 0.431 11.316 ( 0.261 -0.231 -0.545) 0.647 11.909 ( -2.663 0.301 -3.163) 4.146 11.949 ( 2.187 0.129 2.968) 3.689 13.675 ( -1.196 0.084 -1.592) 1.993 13.692 ( 1.200 0.055 1.226) 1.716 14.128 ( -1.075 0.189 -1.245) 1.656 14.146 ( 0.919 0.123 1.087) 1.428 14.448 ( -0.079 0.115 -0.043) 0.146 14.450 ( 0.040 0.150 0.052) 0.164 19.511 ( 1.472 -0.394 1.927) 2.456 19.581 ( -0.212 0.735 -7.614) 7.652 19.935 ( 0.553 0.613 0.850) 1.185 19.956 ( 0.549 -0.568 -0.781) 1.111 20.036 ( -1.807 1.292 -0.057) 2.222 20.142 ( 1.625 2.343 0.742) 2.946 21.549 ( -2.704 0.224 -2.114) 3.440 21.612 ( 1.891 0.767 3.854) 4.361 21.900 ( -3.350 1.003 -0.850) 3.599 21.941 ( 0.176 -0.874 1.903) 2.101 22.194 ( -4.806 -0.983 -5.252) 7.186 22.414 ( 8.443 0.258 4.860) 9.745 ======================= Grid point 116 (54/93) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -10.028 -8.700 -4.880) 14.144 1.131 ( -9.733 -16.796 7.753) 20.903 1.361 ( -2.975 -0.117 -7.299) 7.883 1.573 ( 3.925 -3.574 0.708) 5.355 1.684 ( -24.556 -5.313 -15.605) 29.576 1.840 ( 0.305 1.904 -6.473) 6.754 2.021 ( -3.408 5.933 2.220) 7.193 2.218 ( 10.109 -0.435 3.597) 10.739 2.355 ( 1.626 4.104 2.431) 5.039 2.510 ( 2.796 4.223 3.127) 5.952 2.631 ( -4.570 2.225 -8.994) 10.330 2.707 ( 2.233 6.738 -5.990) 9.289 2.803 ( 0.032 -0.335 2.488) 2.510 2.936 ( 3.615 2.478 4.549) 6.317 3.080 ( -4.279 -4.239 2.877) 6.675 3.145 ( -4.999 2.558 -3.877) 6.824 3.346 ( -1.347 2.767 -5.384) 6.202 3.459 ( -3.785 1.355 -6.490) 7.634 3.536 ( -0.000 1.678 0.886) 1.897 3.609 ( 1.917 -1.273 0.097) 2.303 3.780 ( -2.299 -2.183 5.226) 6.113 3.826 ( 6.430 -3.933 -0.426) 7.549 3.910 ( 0.639 -6.207 0.601) 6.269 4.494 ( 5.127 1.532 3.281) 6.277 4.557 ( 4.947 0.040 10.377) 11.496 4.723 ( 16.503 -1.878 15.326) 22.600 5.067 ( -2.675 -2.684 0.264) 3.798 5.238 ( -0.236 -0.299 2.009) 2.045 6.066 ( -3.119 0.235 -2.104) 3.770 6.128 ( -3.034 1.179 -3.104) 4.498 6.398 ( -1.970 0.711 -1.755) 2.732 6.419 ( -3.126 0.005 -4.831) 5.755 6.495 ( 1.336 -0.003 0.172) 1.347 6.597 ( 3.735 0.328 3.063) 4.841 6.975 ( -0.312 -0.021 -1.570) 1.601 7.034 ( 0.475 -0.243 -0.781) 0.946 7.852 ( -1.487 -0.650 -0.852) 1.833 7.966 ( 1.527 0.027 0.935) 1.791 8.230 ( -6.121 1.002 -7.753) 9.929 8.472 ( 3.648 -0.455 4.702) 5.969 9.090 ( -5.659 -0.170 -6.442) 8.576 9.375 ( 4.733 -0.011 5.428) 7.201 10.231 ( -3.822 -0.074 -4.297) 5.752 10.506 ( 5.955 0.380 6.598) 8.896 11.315 ( 0.057 -0.537 -0.145) 0.559 11.319 ( 0.047 -0.278 -0.512) 0.585 11.863 ( -2.714 0.269 -2.979) 4.039 11.976 ( 1.660 0.241 2.197) 2.764 13.655 ( -0.994 0.107 -1.256) 1.605 13.707 ( 0.973 0.023 1.136) 1.495 14.108 ( -0.951 0.215 -1.077) 1.453 14.155 ( 0.736 0.185 0.881) 1.163 14.444 ( -0.053 0.146 -0.032) 0.159 14.447 ( 0.020 0.227 0.036) 0.231 19.497 ( -2.190 0.444 -5.045) 5.518 19.562 ( 0.510 -1.193 0.196) 1.312 19.929 ( 0.483 1.129 1.212) 1.725 19.961 ( 0.242 0.379 -0.761) 0.884 20.004 ( -0.696 0.379 -0.126) 0.803 20.098 ( 0.932 3.689 0.357) 3.821 21.518 ( -1.687 0.176 -1.189) 2.071 21.633 ( 1.740 0.722 3.969) 4.394 21.844 ( -3.696 0.609 -1.928) 4.213 21.974 ( 1.516 -0.041 2.458) 2.888 22.155 ( -4.324 -2.045 -4.787) 6.767 22.489 ( 6.562 1.083 3.407) 7.473 ======================= Grid point 123 (55/93) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -16.715 -0.000 -1.447) 16.777 0.774 ( -18.504 -0.000 4.059) 18.944 1.368 ( -1.092 -0.000 -6.734) 6.822 1.493 ( -0.414 -0.000 -0.060) 0.418 1.597 ( -30.949 -0.000 -19.322) 36.485 1.843 ( -2.417 -0.000 -7.323) 7.711 2.170 ( 11.241 0.000 7.442) 13.481 2.246 ( -2.605 -0.000 -2.890) 3.891 2.467 ( 3.616 0.000 3.222) 4.843 2.614 ( -2.610 -0.000 -4.391) 5.108 2.689 ( 0.391 0.000 -3.601) 3.622 2.823 ( -1.448 -0.000 0.445) 1.515 2.841 ( 11.881 0.000 3.751) 12.459 2.928 ( -1.584 -0.000 11.518) 11.626 3.165 ( 3.564 0.000 10.062) 10.675 3.192 ( 4.332 0.000 -4.335) 6.128 3.404 ( -14.359 -0.000 -18.998) 23.814 3.505 ( -1.279 -0.000 3.002) 3.264 3.531 ( -2.196 -0.000 -0.682) 2.300 3.561 ( -5.946 -0.000 0.965) 6.024 3.608 ( 1.407 0.000 -4.061) 4.298 3.676 ( 4.090 0.000 -4.760) 6.276 3.774 ( -1.403 -0.000 6.076) 6.236 4.543 ( -0.549 -0.000 -3.143) 3.190 4.554 ( 5.885 0.000 9.829) 11.456 4.680 ( 23.310 0.000 23.600) 33.171 5.000 ( -4.789 -0.000 0.213) 4.794 5.227 ( 0.242 0.000 2.258) 2.270 6.071 ( -3.298 -0.000 -2.013) 3.864 6.152 ( -2.796 -0.000 -2.465) 3.728 6.416 ( -2.856 -0.000 -5.129) 5.870 6.418 ( -2.070 -0.000 -1.085) 2.337 6.490 ( -0.185 -0.000 -1.122) 1.138 6.612 ( 4.953 0.000 2.263) 5.446 6.988 ( -0.177 -0.000 -1.804) 1.813 7.020 ( 1.304 0.000 -0.648) 1.456 7.841 ( -1.548 -0.000 -0.576) 1.652 7.961 ( 1.384 0.000 0.559) 1.492 8.252 ( -5.534 -0.000 -7.235) 9.108 8.464 ( 3.415 0.000 4.433) 5.596 9.082 ( -5.784 -0.000 -6.338) 8.581 9.375 ( 4.768 0.000 5.619) 7.370 10.230 ( -3.976 -0.000 -4.383) 5.918 10.515 ( 6.049 0.000 6.520) 8.893 11.303 ( 0.088 0.000 -0.178) 0.198 11.313 ( 0.249 0.000 -0.635) 0.682 11.872 ( -2.491 -0.000 -3.483) 4.283 11.981 ( 1.624 0.000 2.250) 2.775 13.658 ( -0.989 -0.000 -1.303) 1.636 13.708 ( 0.978 0.000 0.981) 1.385 14.114 ( -0.987 -0.000 -1.158) 1.522 14.160 ( 0.725 0.000 0.892) 1.149 14.448 ( -0.080 -0.000 -0.039) 0.089 14.452 ( 0.037 0.000 0.042) 0.057 19.529 ( 0.913 0.000 1.893) 2.101 19.537 ( -0.325 -0.000 -11.641) 11.646 19.939 ( 0.186 0.000 -1.174) 1.189 19.964 ( 1.262 0.000 1.514) 1.971 20.032 ( -1.826 -0.000 -0.134) 1.831 20.182 ( 1.558 0.000 0.558) 1.655 21.521 ( -1.914 -0.000 -1.333) 2.333 21.663 ( 1.867 0.000 4.363) 4.746 21.901 ( -1.555 -0.000 1.984) 2.521 21.924 ( -1.235 -0.000 1.443) 1.899 22.117 ( -4.233 -0.000 -5.313) 6.793 22.509 ( 7.562 0.000 3.428) 8.303 ======================= Grid point 124 (56/93) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -12.294 -13.755 -2.746) 18.652 0.772 ( -15.996 -14.801 13.280) 25.521 1.136 ( -37.549 -4.861 -21.805) 43.693 1.342 ( -2.900 -1.152 -5.463) 6.291 1.590 ( 4.584 -0.612 3.215) 5.632 1.834 ( 3.183 -1.803 -2.876) 4.653 2.093 ( -4.249 5.950 -2.678) 7.786 2.323 ( 8.213 -1.391 1.980) 8.562 2.457 ( -0.475 3.523 -1.429) 3.832 2.539 ( -0.350 2.845 -8.206) 8.692 2.625 ( 3.593 4.782 -1.263) 6.113 2.780 ( -0.154 2.099 0.414) 2.145 2.924 ( 2.175 5.469 -1.780) 6.149 2.993 ( -2.858 -2.204 4.739) 5.957 3.073 ( 1.117 7.378 -0.494) 7.478 3.147 ( -5.954 4.213 4.060) 8.348 3.284 ( -1.287 -3.310 -5.553) 6.592 3.456 ( -2.721 2.474 -0.145) 3.681 3.552 ( 0.353 -1.615 -4.575) 4.864 3.623 ( 2.241 -2.749 5.922) 6.902 3.707 ( 0.763 -4.181 2.555) 4.959 3.728 ( 3.355 -7.848 -7.464) 11.338 3.873 ( 5.374 -5.127 11.819) 13.959 4.520 ( 0.803 0.997 -1.140) 1.714 4.631 ( 3.224 -0.475 6.629) 7.386 4.908 ( 0.362 -0.990 3.137) 3.310 5.099 ( 17.820 -1.390 19.967) 26.799 5.240 ( -0.346 -0.080 1.462) 1.505 6.027 ( -3.286 0.108 -2.762) 4.294 6.063 ( -8.077 0.766 -9.871) 12.778 6.385 ( -0.444 -0.028 -1.404) 1.473 6.393 ( -1.453 0.806 -0.028) 1.662 6.493 ( 0.599 -0.878 -0.867) 1.371 6.645 ( 2.382 0.569 0.856) 2.594 6.969 ( -0.091 0.410 -1.382) 1.444 7.030 ( 0.718 -0.172 -0.709) 1.023 7.830 ( -1.118 -0.257 0.115) 1.153 7.980 ( 1.339 -0.254 0.682) 1.524 8.164 ( -4.511 0.834 -6.117) 7.646 8.507 ( 1.815 -0.329 2.497) 3.105 9.015 ( -3.755 -0.283 -4.240) 5.671 9.432 ( 2.934 0.047 3.316) 4.428 10.186 ( -2.240 -0.081 -2.366) 3.259 10.588 ( 4.313 0.282 4.590) 6.305 11.307 ( 0.079 -0.361 -0.015) 0.370 11.313 ( 0.191 -0.157 -0.432) 0.498 11.830 ( -2.319 0.240 -2.881) 3.706 12.000 ( 0.967 0.125 1.319) 1.640 13.645 ( -0.626 0.072 -0.792) 1.012 13.720 ( 0.607 0.017 0.914) 1.098 14.100 ( -0.672 0.139 -0.743) 1.012 14.167 ( 0.441 0.127 0.556) 0.721 14.446 ( -0.053 0.099 -0.022) 0.115 14.451 ( 0.020 0.162 0.021) 0.164 19.447 ( -2.911 0.502 -8.742) 9.227 19.551 ( 0.200 -0.763 1.364) 1.576 19.940 ( 0.630 -0.264 -0.718) 0.991 19.978 ( 0.683 0.524 1.641) 1.853 20.005 ( -1.452 0.894 -0.607) 1.810 20.171 ( 1.099 2.656 0.144) 2.878 21.503 ( -1.125 0.051 -0.603) 1.278 21.683 ( 0.679 0.850 3.385) 3.556 21.831 ( -4.162 3.312 0.232) 5.324 21.989 ( 2.341 -1.998 3.097) 4.366 22.069 ( -3.188 -1.083 -4.291) 5.454 22.574 ( 5.786 0.678 1.557) 6.030 ======================= Grid point 132 (57/93) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( -13.754 -0.000 9.757) 16.863 0.530 ( -25.293 -0.000 10.134) 27.247 0.633 ( -36.580 -0.000 -1.947) 36.631 1.325 ( 1.478 0.000 -0.614) 1.601 1.624 ( 0.893 0.000 -0.601) 1.076 1.839 ( 6.093 0.000 0.471) 6.111 2.097 ( -7.457 -0.000 -4.913) 8.930 2.284 ( 1.622 0.000 -0.030) 1.622 2.524 ( 0.408 0.000 -16.057) 16.062 2.562 ( 3.816 0.000 -5.054) 6.333 2.754 ( 6.883 0.000 -0.625) 6.912 2.783 ( 0.134 0.000 3.849) 3.851 2.925 ( -2.316 -0.000 -2.810) 3.642 3.055 ( 2.584 0.000 8.420) 8.808 3.117 ( -3.730 -0.000 -1.727) 4.111 3.208 ( 4.001 0.000 -5.719) 6.980 3.235 ( -3.789 -0.000 -1.819) 4.203 3.466 ( -2.919 -0.000 -4.187) 5.105 3.473 ( -3.294 -0.000 -1.664) 3.691 3.500 ( -2.632 -0.000 -0.559) 2.691 3.635 ( 0.242 0.000 7.501) 7.505 3.762 ( 4.612 0.000 3.409) 5.735 3.953 ( 10.093 0.000 17.848) 20.504 4.536 ( 1.208 0.000 -0.632) 1.363 4.681 ( 2.255 0.000 5.326) 5.783 4.857 ( -4.842 -0.000 -1.506) 5.071 5.245 ( -0.092 -0.000 -0.848) 0.853 5.334 ( 10.801 0.000 10.727) 15.223 5.943 ( -5.924 -0.000 -8.232) 10.141 5.992 ( -1.769 -0.000 -2.000) 2.670 6.386 ( 0.581 0.000 0.768) 0.963 6.401 ( -0.365 -0.000 0.428) 0.562 6.475 ( 0.081 0.000 -0.559) 0.565 6.668 ( 1.657 0.000 2.783) 3.239 6.970 ( 0.289 0.000 -0.323) 0.434 7.034 ( 1.060 0.000 -0.071) 1.062 7.824 ( -0.682 -0.000 1.020) 1.227 7.988 ( 0.665 0.000 0.093) 0.671 8.121 ( -1.400 -0.000 -2.603) 2.955 8.520 ( 0.057 0.000 0.274) 0.279 8.975 ( -1.206 -0.000 -1.363) 1.820 9.461 ( 0.853 0.000 0.845) 1.201 10.164 ( -0.742 -0.000 -0.417) 0.852 10.632 ( 1.550 0.000 1.378) 2.074 11.304 ( 0.106 0.000 0.199) 0.225 11.313 ( 0.388 0.000 0.046) 0.391 11.802 ( -1.426 -0.000 -1.681) 2.205 12.011 ( 0.164 0.000 0.300) 0.342 13.639 ( -0.152 -0.000 -0.162) 0.222 13.733 ( 1.003 0.000 1.805) 2.065 14.094 ( -0.218 -0.000 -0.178) 0.281 14.173 ( 0.109 0.000 0.160) 0.194 14.447 ( -0.034 -0.000 0.001) 0.034 14.452 ( 0.007 0.000 -0.007) 0.010 19.393 ( 0.434 0.000 0.780) 0.892 19.553 ( -0.225 -0.000 1.646) 1.661 19.939 ( 0.805 0.000 -0.374) 0.888 19.991 ( -0.296 -0.000 -0.390) 0.489 20.006 ( -0.711 -0.000 1.359) 1.533 20.203 ( 0.654 0.000 -0.357) 0.745 21.494 ( -0.555 -0.000 -0.080) 0.560 21.695 ( -0.991 -0.000 0.565) 1.141 21.910 ( -1.473 -0.000 0.255) 1.495 21.959 ( -0.876 -0.000 -2.458) 2.609 22.022 ( 0.763 0.000 0.539) 0.935 22.620 ( 3.366 0.000 -0.652) 3.428 ======================= Grid point 133 (58/93) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 1.373 0.000 17.349) 17.404 0.887 ( 2.374 0.000 12.221) 12.450 1.141 ( 3.286 0.000 -9.631) 10.176 1.265 ( -5.340 -0.000 -9.992) 11.330 1.754 ( 11.268 0.000 28.477) 30.625 1.970 ( 5.145 0.000 3.836) 6.418 2.273 ( -3.473 -0.000 -1.521) 3.791 2.307 ( 6.531 0.000 4.427) 7.890 2.445 ( -5.899 -0.000 -1.930) 6.207 2.468 ( 2.836 0.000 -6.871) 7.433 2.584 ( -3.895 -0.000 -0.582) 3.938 2.653 ( -2.913 -0.000 -8.646) 9.123 2.820 ( -2.182 -0.000 -1.992) 2.955 2.833 ( 0.354 0.000 -6.194) 6.204 3.146 ( -0.538 -0.000 0.211) 0.578 3.184 ( -1.233 -0.000 -3.935) 4.124 3.448 ( 7.456 0.000 4.102) 8.510 3.476 ( -2.190 -0.000 4.900) 5.367 3.485 ( -0.008 -0.000 4.540) 4.540 3.596 ( 11.485 0.000 7.068) 13.485 3.750 ( 3.255 0.000 7.874) 8.520 3.855 ( 1.626 0.000 4.267) 4.566 3.935 ( -2.980 -0.000 -1.781) 3.472 4.273 ( -23.552 -0.000 -29.875) 38.042 4.609 ( 3.676 0.000 3.506) 5.080 4.693 ( -7.358 -0.000 -5.070) 8.935 4.965 ( 2.274 0.000 5.481) 5.934 5.076 ( -1.743 -0.000 -5.132) 5.420 6.042 ( 2.110 0.000 2.276) 3.104 6.087 ( 0.306 0.000 -1.577) 1.606 6.442 ( 0.883 0.000 2.602) 2.748 6.474 ( 0.570 0.000 0.315) 0.652 6.541 ( 3.581 0.000 4.418) 5.686 6.652 ( -3.884 -0.000 -5.762) 6.949 7.059 ( 1.106 0.000 1.755) 2.075 7.074 ( 0.065 0.000 0.276) 0.284 7.896 ( 0.216 0.000 2.837) 2.845 7.944 ( -0.154 -0.000 -1.805) 1.812 8.300 ( 6.317 0.000 5.981) 8.700 8.413 ( -4.675 -0.000 -4.877) 6.756 9.143 ( 6.459 0.000 7.697) 10.048 9.303 ( -5.833 -0.000 -7.371) 9.400 10.297 ( 4.706 0.000 6.300) 7.864 10.441 ( -5.925 -0.000 -7.558) 9.603 11.326 ( 0.192 0.000 0.727) 0.752 11.335 ( 0.046 0.000 -0.028) 0.054 11.887 ( 3.105 0.000 2.732) 4.136 11.945 ( -2.483 -0.000 -2.786) 3.732 13.682 ( 1.339 0.000 1.830) 2.268 13.720 ( -1.433 -0.000 -1.858) 2.347 14.124 ( 1.009 0.000 1.212) 1.577 14.148 ( -0.917 -0.000 -1.101) 1.432 14.448 ( 0.040 0.000 0.086) 0.095 14.450 ( -0.042 -0.000 -0.094) 0.103 19.614 ( -2.132 -0.000 3.202) 3.847 19.687 ( 4.034 0.000 -3.838) 5.569 19.968 ( 0.815 0.000 0.842) 1.172 19.986 ( 0.063 0.000 -0.905) 0.907 20.089 ( 1.249 0.000 3.143) 3.382 20.150 ( -0.965 -0.000 -2.677) 2.845 21.526 ( 1.799 0.000 1.826) 2.564 21.573 ( -3.744 -0.000 -2.789) 4.669 21.801 ( 1.632 0.000 2.338) 2.851 21.848 ( -1.643 -0.000 -2.119) 2.682 22.279 ( 3.403 0.000 9.335) 9.936 22.464 ( -3.151 -0.000 -8.369) 8.943 ======================= Grid point 134 (59/93) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 5.847 -7.264 17.337) 19.685 0.992 ( 1.763 -7.190 -5.935) 9.489 1.160 ( -1.704 -1.002 -10.038) 10.231 1.194 ( 6.971 -0.995 0.711) 7.077 1.931 ( -0.229 0.444 5.357) 5.381 1.998 ( 1.118 -0.168 -5.711) 5.822 2.145 ( -2.645 7.350 4.730) 9.132 2.209 ( -1.259 5.805 -5.375) 8.011 2.429 ( -2.656 -0.500 6.013) 6.592 2.513 ( -0.031 -0.882 -5.091) 5.167 2.602 ( -7.088 -4.117 -3.904) 9.079 2.684 ( 2.930 -7.446 2.684) 8.440 2.822 ( 2.928 -1.675 2.176) 4.014 2.855 ( 3.178 -2.263 -3.016) 4.931 3.092 ( -7.596 2.096 -1.722) 8.066 3.187 ( 5.357 -1.406 1.556) 5.753 3.394 ( -7.993 5.556 -2.463) 10.041 3.494 ( 5.612 2.933 0.764) 6.378 3.529 ( 0.940 -0.322 5.510) 5.599 3.583 ( -0.544 1.500 -6.294) 6.493 3.862 ( -2.928 0.817 -0.765) 3.135 3.882 ( -3.333 0.443 -5.457) 6.410 3.979 ( -9.940 -1.973 -14.491) 17.684 4.045 ( 20.760 -1.743 26.526) 33.729 4.625 ( -5.554 -0.608 -2.941) 6.314 4.678 ( 5.263 -0.588 5.241) 7.451 5.032 ( 1.899 -1.904 4.023) 4.839 5.051 ( -0.544 -1.703 -4.339) 4.692 6.068 ( 0.506 -0.237 0.876) 1.039 6.069 ( -1.210 -0.247 -2.475) 2.766 6.462 ( 0.486 0.117 1.142) 1.247 6.469 ( 0.003 0.045 -0.989) 0.990 6.571 ( -5.285 0.872 -5.546) 7.710 6.594 ( 3.636 0.715 5.243) 6.420 7.055 ( -1.160 0.985 0.138) 1.528 7.066 ( -0.182 0.549 -0.190) 0.609 7.914 ( 0.454 -0.130 2.549) 2.593 7.931 ( -0.284 0.116 -2.137) 2.159 8.338 ( -6.132 -0.036 -6.168) 8.698 8.382 ( 5.417 -0.058 5.326) 7.597 9.208 ( -6.638 -0.144 -8.126) 10.494 9.244 ( 6.458 -0.217 7.714) 10.063 10.350 ( -5.359 0.233 -6.873) 8.719 10.377 ( 5.696 0.182 7.334) 9.288 11.331 ( -0.067 -0.071 0.451) 0.461 11.334 ( -0.214 -0.071 -0.326) 0.396 11.905 ( -2.755 0.089 -3.177) 4.206 11.925 ( 2.825 0.212 2.732) 3.936 13.694 ( -1.535 0.323 -1.721) 2.329 13.701 ( 1.296 0.273 1.822) 2.252 14.132 ( -0.969 0.143 -1.169) 1.525 14.138 ( 1.023 0.120 1.144) 1.539 14.448 ( 0.004 0.132 0.020) 0.133 14.448 ( 0.008 0.123 -0.022) 0.126 19.596 ( -3.728 0.899 1.701) 4.195 19.668 ( 1.805 1.776 -2.924) 3.868 19.966 ( -0.974 0.625 0.247) 1.183 19.979 ( -0.028 -0.022 -0.673) 0.674 20.089 ( 0.755 2.695 2.945) 4.063 20.103 ( -0.601 2.303 -2.696) 3.597 21.538 ( -1.782 -0.037 -1.678) 2.448 21.559 ( 2.882 0.056 2.567) 3.860 21.836 ( -0.268 -0.937 -1.350) 1.665 21.845 ( 2.307 -1.137 1.249) 2.859 22.355 ( 2.132 0.103 8.024) 8.303 22.380 ( -4.039 0.221 -7.912) 8.886 ======================= Grid point 135 (60/93) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -0.948 -1.999 -7.047) 7.386 1.135 ( 2.496 -9.616 -8.737) 13.230 1.270 ( 8.484 -10.227 6.773) 14.915 1.290 ( 5.776 -0.270 1.770) 6.047 1.855 ( -8.083 1.025 -1.852) 8.356 1.937 ( -3.574 0.390 -9.795) 10.433 1.998 ( -3.751 5.264 0.609) 6.493 2.163 ( 0.113 -0.628 -1.141) 1.307 2.434 ( 1.475 1.236 1.209) 2.273 2.469 ( -1.946 4.412 1.158) 4.959 2.553 ( -6.582 -1.008 -3.508) 7.526 2.847 ( -3.009 -4.801 -1.363) 5.827 2.880 ( 1.745 -0.247 0.893) 1.975 2.953 ( 4.307 -3.777 0.142) 5.731 3.007 ( -6.796 -3.538 -1.726) 7.854 3.147 ( -11.103 6.514 -5.377) 13.951 3.279 ( 4.521 2.812 2.130) 5.735 3.427 ( 5.272 1.303 -1.595) 5.660 3.532 ( 1.959 4.816 1.916) 5.541 3.602 ( 2.626 -0.703 -0.386) 2.745 3.743 ( -6.921 -1.940 -9.158) 11.642 3.830 ( -2.478 0.744 1.863) 3.188 4.003 ( 1.882 -2.789 1.067) 3.529 4.398 ( 21.880 0.162 26.413) 34.299 4.573 ( -4.153 -0.142 -2.976) 5.111 4.780 ( 7.632 -0.103 9.405) 12.112 5.051 ( -1.059 -2.445 -4.218) 4.989 5.128 ( 2.496 -3.125 3.273) 5.168 6.042 ( -2.280 -0.612 -3.298) 4.056 6.074 ( -1.744 -0.412 -1.142) 2.125 6.437 ( -1.036 0.795 -2.424) 2.753 6.466 ( -3.509 0.619 -3.293) 4.852 6.497 ( -0.526 0.568 0.279) 0.823 6.629 ( 2.694 1.159 3.989) 4.951 7.015 ( -2.358 0.936 -1.829) 3.128 7.051 ( -0.569 0.509 -0.396) 0.860 7.910 ( -0.541 0.410 -2.181) 2.285 7.938 ( 0.877 -0.322 2.175) 2.367 8.244 ( -7.026 0.218 -6.988) 9.912 8.453 ( 4.360 -0.328 4.496) 6.271 9.114 ( -6.109 -0.260 -7.361) 9.570 9.338 ( 5.266 -0.213 6.341) 8.246 10.271 ( -4.143 0.276 -5.369) 6.787 10.463 ( 5.867 0.237 7.305) 9.372 11.331 ( -0.367 -0.054 -0.203) 0.423 11.332 ( -0.244 -0.145 -0.183) 0.338 11.864 ( -2.528 -0.044 -3.082) 3.987 11.957 ( 2.268 0.179 2.379) 3.291 13.667 ( -1.276 0.287 -1.406) 1.920 13.713 ( 1.081 0.387 1.410) 1.819 14.114 ( -0.927 0.207 -1.135) 1.480 14.150 ( 0.902 0.179 0.999) 1.357 14.444 ( -0.028 0.174 -0.043) 0.181 14.446 ( 0.048 0.184 0.045) 0.195 19.542 ( -4.423 0.887 -1.303) 4.696 19.640 ( 1.328 1.252 -1.502) 2.363 19.946 ( -1.000 0.708 0.690) 1.406 19.967 ( 0.202 0.870 -1.162) 1.466 20.043 ( -0.053 2.606 0.339) 2.629 20.052 ( 0.225 2.559 0.300) 2.587 21.520 ( -0.928 -0.072 -1.259) 1.565 21.600 ( 3.495 0.183 3.204) 4.745 21.840 ( -0.147 -0.824 -2.156) 2.313 21.899 ( 2.773 -0.876 2.147) 3.615 22.284 ( -5.388 0.191 -7.329) 9.098 22.420 ( 1.875 0.032 6.684) 6.942 ======================= Grid point 136 (61/93) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -0.325 -2.311 -9.294) 9.583 1.246 ( -2.224 -2.558 -7.087) 7.856 1.335 ( 6.741 -5.445 -6.269) 10.695 1.525 ( 2.582 -5.977 4.771) 8.072 1.760 ( -10.053 1.472 1.701) 10.301 1.859 ( -3.874 2.343 1.348) 4.724 1.939 ( 2.476 -1.687 -1.107) 3.194 2.203 ( -1.633 -5.217 -4.533) 7.101 2.336 ( -0.766 7.910 -0.655) 7.974 2.424 ( -0.475 -0.204 -1.160) 1.270 2.536 ( 0.523 -0.486 -0.571) 0.914 2.752 ( -9.339 1.621 -8.487) 12.723 2.848 ( -6.168 2.646 0.580) 6.736 2.944 ( -5.380 -0.194 1.078) 5.490 3.057 ( 6.580 -0.679 -1.276) 6.737 3.089 ( -0.969 -1.316 -0.083) 1.636 3.207 ( -1.393 1.800 -0.114) 2.279 3.411 ( 2.328 7.266 -6.740) 10.181 3.541 ( 6.077 -3.286 1.428) 7.054 3.579 ( -2.183 0.936 -0.606) 2.452 3.775 ( 0.722 -3.371 3.066) 4.614 3.829 ( -1.085 -0.451 3.738) 3.918 4.068 ( 1.052 -1.755 0.828) 2.208 4.517 ( -0.809 1.078 -1.824) 2.268 4.680 ( 12.743 0.019 15.633) 20.169 4.914 ( 10.522 1.062 13.602) 17.230 5.072 ( 1.159 -1.960 -0.613) 2.358 5.220 ( 2.535 -2.511 3.306) 4.865 6.012 ( -4.414 -0.661 -5.022) 6.718 6.035 ( -4.251 -0.614 -4.503) 6.223 6.397 ( -1.086 1.217 -1.756) 2.397 6.405 ( -2.007 0.560 -2.208) 3.036 6.503 ( 0.326 0.001 1.027) 1.078 6.644 ( 1.818 1.051 2.345) 3.148 6.972 ( -2.008 0.373 -1.942) 2.818 7.035 ( -0.782 0.206 -0.824) 1.154 7.885 ( -0.545 0.536 -1.613) 1.785 7.963 ( 1.006 -0.324 1.652) 1.961 8.142 ( -6.323 0.313 -6.553) 9.112 8.514 ( 3.036 -0.377 3.298) 4.498 9.039 ( -4.361 -0.288 -5.255) 6.835 9.407 ( 3.487 -0.133 4.234) 5.487 10.213 ( -2.715 0.242 -3.478) 4.419 10.543 ( 4.858 0.120 5.893) 7.638 11.325 ( -0.532 0.071 -0.467) 0.711 11.333 ( -0.130 -0.125 -0.161) 0.242 11.832 ( -1.881 -0.192 -2.329) 3.000 11.982 ( 1.510 0.069 1.663) 2.247 13.647 ( -0.872 0.161 -0.989) 1.328 13.722 ( 0.792 0.263 0.934) 1.253 14.098 ( -0.719 0.161 -0.873) 1.143 14.158 ( 0.636 0.126 0.706) 0.958 14.441 ( -0.015 0.099 -0.007) 0.100 14.443 ( 0.029 0.151 0.010) 0.154 19.489 ( -3.111 0.168 -2.322) 3.885 19.627 ( 0.916 0.740 -0.610) 1.326 19.929 ( 0.458 1.412 0.825) 1.698 19.948 ( 0.032 0.545 -0.272) 0.610 20.004 ( -0.367 1.852 0.898) 2.091 20.023 ( -0.134 0.505 -0.859) 1.006 21.509 ( -0.578 0.015 -0.832) 1.013 21.647 ( 3.532 -0.026 3.609) 5.049 21.830 ( -0.913 0.147 -2.623) 2.782 21.944 ( 2.265 -0.488 1.827) 2.951 22.207 ( -4.686 -0.209 -5.088) 6.921 22.462 ( 1.374 -0.016 4.155) 4.376 ======================= Grid point 137 (62/93) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -5.722 0.119 -5.976) 8.275 1.195 ( -1.765 0.878 -4.011) 4.469 1.402 ( -4.833 0.417 -6.646) 8.228 1.591 ( 2.402 -0.542 1.225) 2.751 1.715 ( 1.569 -1.664 2.145) 3.136 1.828 ( -3.056 -1.918 -0.344) 3.625 1.998 ( 1.949 2.377 3.715) 4.821 2.226 ( 1.855 2.544 -1.009) 3.307 2.247 ( -3.174 -4.365 -5.656) 7.818 2.450 ( -0.605 -3.074 3.290) 4.543 2.522 ( 2.115 3.503 1.634) 4.407 2.576 ( -3.665 5.685 -7.201) 9.880 2.819 ( -4.390 -3.446 5.291) 7.690 2.974 ( -0.038 1.752 3.289) 3.727 3.049 ( -1.134 -5.321 -5.431) 7.687 3.088 ( 5.134 3.246 -1.133) 6.179 3.188 ( -4.887 0.208 1.206) 5.038 3.307 ( 1.846 0.444 -7.494) 7.731 3.548 ( -0.293 0.794 1.327) 1.574 3.617 ( 0.711 -0.631 0.039) 0.951 3.845 ( 1.538 -1.590 0.536) 2.276 3.867 ( 0.680 -1.163 3.172) 3.446 4.082 ( 0.134 1.115 0.645) 1.295 4.491 ( 0.156 0.423 -1.343) 1.417 4.795 ( 4.204 1.284 7.862) 9.008 4.985 ( -0.032 0.017 -0.586) 0.587 5.173 ( 6.438 -0.774 6.649) 9.288 5.313 ( 6.863 -0.432 8.832) 11.193 5.911 ( -8.572 -0.649 -10.079) 13.247 6.008 ( -1.682 -0.328 -1.683) 2.402 6.370 ( -0.460 0.345 -0.443) 0.726 6.383 ( -0.074 0.280 -0.253) 0.385 6.510 ( 0.365 -0.009 0.387) 0.532 6.652 ( 0.957 0.380 1.224) 1.600 6.949 ( -0.607 0.044 -1.135) 1.287 7.023 ( -0.466 0.022 -0.579) 0.744 7.866 ( -0.401 0.457 -0.452) 0.758 7.982 ( 0.729 -0.152 0.825) 1.111 8.068 ( -3.378 -0.210 -3.844) 5.122 8.550 ( 1.352 0.014 1.572) 2.073 8.994 ( -2.098 -0.101 -2.519) 3.280 9.447 ( 1.605 -0.070 1.857) 2.456 10.179 ( -1.221 0.142 -1.455) 1.905 10.600 ( 2.556 -0.071 2.981) 3.927 11.317 ( -0.255 0.093 -0.337) 0.433 11.332 ( -0.037 0.100 0.011) 0.107 11.813 ( -1.013 -0.092 -1.187) 1.563 11.997 ( 0.640 -0.057 0.731) 0.973 13.636 ( -0.392 0.025 -0.454) 0.600 13.727 ( 0.384 0.085 0.496) 0.633 14.088 ( -0.362 0.014 -0.424) 0.558 14.164 ( 0.287 0.000 0.329) 0.437 14.441 ( -0.004 -0.020 0.000) 0.021 14.442 ( 0.005 0.018 0.000) 0.018 19.457 ( -1.283 0.273 -1.139) 1.737 19.618 ( 0.287 0.619 0.138) 0.697 19.919 ( 0.234 0.192 0.531) 0.612 19.945 ( 0.410 0.187 0.366) 0.581 19.990 ( -0.313 -0.597 -0.202) 0.704 20.013 ( -0.129 0.123 -0.362) 0.403 21.501 ( -0.365 0.039 -0.326) 0.491 21.697 ( 2.787 -0.219 3.568) 4.533 21.793 ( -2.130 0.551 -2.964) 3.692 21.974 ( 0.784 -0.515 0.833) 1.254 22.156 ( -2.168 0.489 -2.071) 3.038 22.494 ( 1.419 -0.571 1.358) 2.045 ======================= Grid point 138 (63/93) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -9.994 3.292 2.232) 10.757 1.118 ( -3.618 7.994 3.198) 9.340 1.265 ( -5.182 1.187 -0.946) 5.400 1.610 ( 3.526 1.553 -1.575) 4.162 1.809 ( 7.628 3.910 -0.137) 8.572 1.850 ( 0.855 0.812 1.373) 1.810 1.902 ( -3.026 1.920 2.501) 4.370 2.212 ( 3.144 1.361 -6.463) 7.315 2.297 ( -1.565 -6.505 -0.643) 6.721 2.398 ( -2.508 3.558 1.345) 4.556 2.531 ( 2.972 -1.114 -0.295) 3.188 2.598 ( 2.445 -5.895 6.804) 9.329 2.855 ( 3.062 3.413 -0.447) 4.606 2.962 ( 0.889 -2.973 4.816) 5.729 3.042 ( -2.500 0.092 -2.474) 3.519 3.094 ( -4.661 1.547 -2.518) 5.518 3.260 ( 2.127 -9.287 3.982) 10.326 3.301 ( 3.366 -0.156 -4.711) 5.792 3.542 ( -3.420 -0.393 1.344) 3.696 3.600 ( -1.693 0.728 -1.685) 2.497 3.863 ( 1.934 1.364 -3.765) 4.447 3.878 ( 0.847 0.940 -1.026) 1.629 4.052 ( 0.299 2.729 2.260) 3.556 4.490 ( 0.564 -0.530 -0.085) 0.779 4.816 ( -1.225 1.070 3.210) 3.599 4.957 ( -1.230 1.310 -0.815) 1.974 5.210 ( -1.110 -0.409 -2.389) 2.666 5.365 ( -4.209 0.712 -5.196) 6.725 5.863 ( 3.301 -0.766 2.607) 4.275 5.994 ( -0.280 0.368 0.009) 0.462 6.371 ( -0.266 -0.616 0.781) 1.030 6.385 ( 0.329 -0.219 0.449) 0.598 6.512 ( 0.871 0.432 -0.124) 0.980 6.662 ( 0.149 -0.519 0.559) 0.778 6.948 ( 1.109 -0.085 0.040) 1.113 7.022 ( 0.237 -0.149 0.184) 0.335 7.858 ( -0.198 0.250 0.924) 0.977 7.987 ( -0.078 0.058 -0.557) 0.565 8.060 ( 1.190 -0.890 0.798) 1.687 8.552 ( -0.468 0.529 -0.383) 0.804 8.980 ( 0.347 0.165 0.412) 0.563 9.457 ( -0.294 -0.008 -0.605) 0.673 10.172 ( 0.284 0.008 0.580) 0.646 10.617 ( -0.568 -0.239 -0.905) 1.095 11.316 ( 0.325 0.027 0.239) 0.405 11.328 ( 0.052 0.334 0.215) 0.401 11.806 ( 0.047 0.133 0.154) 0.208 12.002 ( -0.260 -0.159 -0.299) 0.427 13.635 ( 0.131 -0.094 0.169) 0.233 13.730 ( -0.077 -0.111 0.089) 0.161 14.087 ( 0.079 -0.139 0.133) 0.208 14.166 ( -0.093 -0.124 -0.088) 0.178 14.441 ( -0.001 -0.084 -0.010) 0.084 14.443 ( -0.013 -0.171 0.005) 0.172 19.446 ( 0.922 0.585 1.295) 1.694 19.610 ( -0.348 0.531 0.892) 1.095 19.932 ( -0.868 -1.538 0.242) 1.782 19.946 ( 0.791 0.364 0.085) 0.875 20.006 ( 0.214 -0.088 0.483) 0.536 20.026 ( 0.051 -2.962 -0.932) 3.105 21.498 ( -0.140 0.009 0.212) 0.254 21.714 ( -2.053 0.230 -1.757) 2.712 21.772 ( 0.415 -0.188 2.036) 2.087 21.980 ( -1.633 -0.590 -1.344) 2.196 22.132 ( 1.561 1.612 1.812) 2.885 22.522 ( 1.357 -1.220 -1.532) 2.383 ======================= Grid point 139 (64/93) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -3.707 4.993 13.832) 15.165 0.902 ( -6.287 11.992 9.994) 16.829 1.286 ( 1.097 -2.303 1.800) 3.121 1.479 ( -4.815 11.401 -2.033) 12.542 1.679 ( 1.851 8.693 8.392) 12.223 1.884 ( 2.057 0.295 -3.679) 4.225 1.950 ( 4.204 -2.855 3.823) 6.360 2.182 ( 3.523 -1.597 -5.268) 6.535 2.413 ( 1.595 -2.856 -0.686) 3.343 2.439 ( 3.969 -3.570 5.419) 7.607 2.591 ( 2.146 -4.667 -2.859) 5.879 2.727 ( 5.637 0.256 3.679) 6.736 2.901 ( 1.950 -4.433 6.841) 8.381 2.937 ( -3.503 2.391 -3.454) 5.469 2.994 ( -1.445 2.910 -1.823) 3.726 3.122 ( 2.266 -3.402 2.273) 4.677 3.288 ( 1.630 -1.378 -3.219) 3.863 3.427 ( -4.614 -1.140 3.178) 5.717 3.547 ( -3.650 -7.053 -2.140) 8.225 3.568 ( 0.280 1.103 0.866) 1.430 3.774 ( 1.935 6.203 -6.868) 9.455 3.844 ( 0.536 2.675 -0.140) 2.732 4.023 ( -0.994 1.135 0.121) 1.514 4.519 ( 1.379 -1.208 1.307) 2.252 4.758 ( -8.458 0.208 -5.807) 10.262 4.927 ( 0.515 2.366 2.876) 3.760 5.136 ( -12.096 -0.058 -17.458) 21.239 5.206 ( -5.939 2.202 -6.413) 9.014 5.972 ( 6.750 -0.321 6.184) 9.160 5.999 ( 3.297 0.426 3.229) 4.634 6.392 ( -0.102 -0.855 1.823) 2.016 6.405 ( 1.452 -0.630 1.766) 2.371 6.509 ( 0.910 0.661 -0.143) 1.134 6.680 ( -0.306 -1.386 -0.551) 1.522 6.971 ( 2.081 -0.458 1.656) 2.699 7.035 ( 1.018 -0.413 0.870) 1.402 7.863 ( 0.016 0.027 2.129) 2.129 7.975 ( -0.505 0.242 -1.527) 1.626 8.121 ( 4.932 -0.988 4.469) 6.728 8.521 ( -2.100 0.721 -2.112) 3.064 9.000 ( 2.927 0.259 3.413) 4.504 9.436 ( -2.278 0.065 -3.092) 3.841 10.189 ( 1.743 -0.057 2.580) 3.114 10.590 ( -3.453 -0.341 -4.479) 5.666 11.321 ( 0.380 0.171 0.540) 0.682 11.326 ( 0.406 0.208 0.514) 0.687 11.814 ( 1.390 0.121 1.649) 2.160 11.995 ( -1.124 -0.188 -1.306) 1.734 13.644 ( 0.653 -0.171 0.820) 1.062 13.732 ( -0.431 -0.424 -0.329) 0.688 14.095 ( 0.491 -0.198 0.655) 0.843 14.165 ( -0.445 -0.176 -0.494) 0.688 14.444 ( 0.006 -0.144 0.021) 0.146 14.447 ( -0.026 -0.216 -0.032) 0.220 19.484 ( 4.820 -0.992 4.256) 6.506 19.605 ( -0.799 0.230 1.719) 1.909 19.947 ( 0.871 0.241 0.271) 0.943 19.956 ( -0.923 -1.530 -0.035) 1.787 20.017 ( 0.227 -0.634 1.421) 1.572 20.089 ( 0.051 -4.096 -1.688) 4.431 21.500 ( 0.174 0.016 0.671) 0.693 21.669 ( -3.965 -0.258 -3.288) 5.158 21.792 ( -0.024 0.204 2.598) 2.606 21.953 ( -2.376 0.362 -3.030) 3.867 22.148 ( 3.561 1.247 5.480) 6.654 22.538 ( 0.444 -1.215 -4.476) 4.659 ======================= Grid point 140 (65/93) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -3.952 8.286 15.068) 17.644 0.820 ( 4.189 4.804 19.486) 20.502 1.237 ( -3.240 5.563 -7.847) 10.150 1.326 ( -2.512 -1.490 -2.828) 4.065 1.608 ( 4.020 8.014 21.155) 22.976 1.899 ( 4.244 -0.444 1.753) 4.613 2.100 ( 6.201 -5.679 6.039) 10.352 2.266 ( 4.925 -4.101 -2.848) 7.013 2.455 ( -1.679 -1.797 -3.474) 4.257 2.501 ( 4.974 2.422 4.323) 7.021 2.657 ( -3.334 -2.609 -7.178) 8.334 2.738 ( -0.108 3.324 -1.473) 3.638 2.842 ( -3.274 0.384 -1.407) 3.585 2.923 ( -1.426 2.522 -7.230) 7.789 3.039 ( 5.657 -4.611 3.798) 8.227 3.253 ( 11.791 -3.488 7.581) 14.445 3.297 ( -6.992 2.058 -7.275) 10.298 3.390 ( -1.592 -3.205 7.284) 8.115 3.522 ( -1.777 2.049 0.965) 2.879 3.593 ( 4.801 8.588 3.930) 10.595 3.710 ( -3.135 -6.058 -4.480) 8.161 3.824 ( 0.986 0.846 3.513) 3.745 3.981 ( -2.904 0.765 -2.502) 3.909 4.564 ( 2.458 -0.654 2.256) 3.400 4.595 ( -17.219 -0.660 -19.138) 25.753 4.840 ( -11.671 1.834 -12.709) 17.352 4.949 ( -0.218 2.651 2.189) 3.444 5.130 ( -2.428 0.919 -4.593) 5.276 6.011 ( 2.492 0.239 2.371) 3.448 6.069 ( 4.051 -0.005 2.382) 4.700 6.418 ( 0.367 -0.546 2.497) 2.582 6.448 ( 2.993 -0.049 3.590) 4.675 6.507 ( 0.856 0.125 0.526) 1.013 6.690 ( -1.475 -1.278 -3.674) 4.160 7.019 ( 2.215 -1.150 2.739) 3.706 7.059 ( 1.128 -0.484 0.915) 1.532 7.878 ( 0.141 -0.041 2.797) 2.801 7.957 ( -0.350 0.226 -1.718) 1.768 8.212 ( 6.386 -0.276 5.815) 8.641 8.472 ( -3.345 0.358 -3.469) 4.833 9.057 ( 5.196 0.186 6.060) 7.984 9.383 ( -4.219 0.100 -5.468) 6.907 10.232 ( 3.270 -0.082 4.600) 5.644 10.527 ( -5.307 -0.318 -6.800) 8.632 11.322 ( 0.244 0.203 0.687) 0.757 11.332 ( 0.454 0.003 0.421) 0.619 11.844 ( 2.718 -0.176 2.619) 3.779 11.976 ( -1.889 -0.128 -2.149) 2.864 13.660 ( 1.096 -0.161 1.419) 1.800 13.733 ( -0.840 -0.571 -1.189) 1.563 14.109 ( 0.803 -0.132 1.031) 1.313 14.159 ( -0.729 -0.126 -0.845) 1.123 14.447 ( 0.022 -0.111 0.061) 0.129 14.450 ( -0.038 -0.145 -0.073) 0.167 19.603 ( 2.859 -1.958 2.503) 4.275 19.613 ( 3.813 -1.624 1.634) 4.455 19.955 ( 1.085 0.106 0.661) 1.275 19.975 ( 0.503 -0.807 0.216) 0.975 20.049 ( 0.020 -1.475 2.411) 2.827 20.143 ( -0.434 -2.789 -2.267) 3.620 21.508 ( 0.754 0.041 1.119) 1.349 21.623 ( -4.589 -0.584 -3.466) 5.781 21.792 ( -0.186 0.694 1.898) 2.030 21.896 ( -2.358 1.599 -2.875) 4.047 22.203 ( 3.733 0.377 8.149) 8.972 22.520 ( -1.304 -0.586 -6.893) 7.040 ======================= Grid point 142 (66/93) ======================= q-point: ( 0.12 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 6.134 0.000 -13.115) 14.479 1.017 ( 11.657 0.000 16.358) 20.086 1.057 ( -1.565 -0.000 -15.075) 15.156 1.288 ( 6.328 0.000 8.623) 10.696 1.882 ( -3.328 -0.000 -22.591) 22.835 1.903 ( -6.959 -0.000 -3.757) 7.908 2.231 ( -7.495 -0.000 -5.397) 9.236 2.264 ( -2.716 -0.000 0.313) 2.734 2.368 ( -2.980 -0.000 0.867) 3.103 2.519 ( 2.579 0.000 -2.002) 3.265 2.544 ( 0.635 0.000 15.669) 15.682 2.596 ( -1.540 -0.000 1.244) 1.980 2.852 ( -0.213 -0.000 -0.678) 0.711 2.852 ( 4.138 0.000 1.481) 4.396 3.136 ( -1.585 -0.000 4.509) 4.780 3.146 ( 0.067 0.000 -0.828) 0.831 3.337 ( -12.978 -0.000 -9.481) 16.072 3.525 ( -0.404 -0.000 -0.298) 0.502 3.538 ( 4.090 0.000 -0.229) 4.097 3.567 ( 0.092 0.000 -7.699) 7.699 3.772 ( -0.637 -0.000 -3.603) 3.659 3.854 ( -2.161 -0.000 -2.360) 3.200 3.952 ( 1.477 0.000 2.852) 3.211 4.399 ( 24.250 0.000 29.903) 38.500 4.564 ( -4.256 -0.000 -1.505) 4.514 4.758 ( 7.371 0.000 7.584) 10.576 4.996 ( -0.653 -0.000 -6.121) 6.156 5.064 ( 2.652 0.000 5.168) 5.809 6.031 ( -2.347 -0.000 -3.502) 4.216 6.066 ( -1.638 -0.000 -0.804) 1.825 6.456 ( -0.202 -0.000 -1.938) 1.948 6.466 ( -1.860 -0.000 -1.907) 2.664 6.514 ( -3.156 -0.000 -2.329) 3.922 6.653 ( 2.259 0.000 4.417) 4.961 7.044 ( -2.423 -0.000 -1.749) 2.988 7.063 ( -1.521 -0.000 -0.306) 1.552 7.918 ( -0.096 -0.000 -2.353) 2.354 7.929 ( 0.415 0.000 2.179) 2.219 8.248 ( -6.705 -0.000 -6.422) 9.284 8.446 ( 4.055 0.000 3.926) 5.644 9.108 ( -6.105 -0.000 -7.443) 9.626 9.332 ( 5.352 0.000 6.542) 8.453 10.277 ( -4.188 -0.000 -5.581) 6.978 10.469 ( 5.761 0.000 7.482) 9.443 11.327 ( -0.383 -0.000 -0.561) 0.679 11.330 ( -0.408 -0.000 0.117) 0.425 11.865 ( -2.706 -0.000 -3.114) 4.125 11.962 ( 2.335 0.000 2.234) 3.231 13.674 ( -1.438 -0.000 -1.601) 2.152 13.723 ( 0.979 0.000 1.679) 1.943 14.119 ( -0.888 -0.000 -1.145) 1.449 14.154 ( 0.911 0.000 0.997) 1.351 14.449 ( -0.025 -0.000 -0.083) 0.087 14.450 ( 0.051 0.000 0.087) 0.101 19.571 ( -6.192 -0.000 0.535) 6.215 19.672 ( 0.693 0.000 -3.819) 3.881 19.953 ( -1.940 -0.000 -1.099) 2.230 19.978 ( 0.060 0.000 0.280) 0.286 20.104 ( -0.492 -0.000 -2.787) 2.830 20.136 ( 0.141 0.000 2.666) 2.670 21.519 ( -0.669 -0.000 -1.230) 1.400 21.610 ( 4.239 0.000 4.064) 5.872 21.815 ( 0.718 0.000 -1.750) 1.892 21.873 ( 3.465 0.000 1.863) 3.934 22.290 ( -5.624 -0.000 -8.780) 10.427 22.421 ( 1.336 0.000 8.125) 8.234 ======================= Grid point 143 (67/93) ======================= q-point: ( 0.25 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 7.783 -6.175 -12.763) 16.174 0.987 ( 3.436 -1.659 -13.697) 14.218 1.259 ( 11.108 -4.879 13.348) 18.037 1.347 ( 1.312 0.440 1.631) 2.139 1.767 ( -2.646 -2.195 -17.981) 18.306 1.831 ( -3.387 -0.600 -2.828) 4.453 2.077 ( -2.591 5.015 -6.535) 8.636 2.151 ( -5.131 5.065 2.187) 7.534 2.397 ( -4.211 -1.946 0.222) 4.644 2.467 ( -6.195 -1.461 -5.468) 8.391 2.606 ( 1.706 3.238 10.745) 11.352 2.701 ( -4.556 -3.184 -3.009) 6.320 2.816 ( -5.265 -2.641 2.493) 6.396 2.904 ( 1.357 -2.611 1.877) 3.490 3.029 ( 1.090 4.338 -0.018) 4.472 3.160 ( -5.578 4.673 -3.116) 7.916 3.315 ( 3.822 -6.429 6.184) 9.705 3.484 ( 1.575 4.018 -6.458) 7.767 3.557 ( 1.317 -1.864 -1.108) 2.537 3.601 ( 2.255 -3.672 -1.952) 4.731 3.725 ( 1.817 6.147 1.411) 6.564 3.821 ( -2.024 0.083 -1.242) 2.376 3.988 ( 0.315 -1.430 2.044) 2.514 4.529 ( -3.154 -0.141 -0.967) 3.302 4.701 ( 14.727 0.567 16.352) 22.014 4.907 ( 9.188 -1.003 10.294) 13.834 4.993 ( 4.736 -1.911 2.104) 5.523 5.129 ( 2.711 -1.486 4.788) 5.700 5.995 ( -2.376 -0.224 -3.079) 3.895 6.020 ( -5.800 -0.182 -5.175) 7.775 6.422 ( -2.632 0.281 -2.115) 3.388 6.440 ( -0.293 0.685 -1.935) 2.074 6.497 ( -0.930 -0.232 -0.670) 1.170 6.680 ( 1.013 0.647 2.588) 2.854 6.999 ( -2.744 0.974 -2.325) 3.726 7.042 ( -1.933 0.086 -0.932) 2.148 7.902 ( -0.007 0.325 -2.313) 2.336 7.948 ( 0.591 -0.379 1.832) 1.962 8.158 ( -6.063 0.288 -5.387) 8.116 8.496 ( 2.849 -0.378 2.687) 3.934 9.030 ( -4.358 -0.167 -5.260) 6.833 9.402 ( 3.627 -0.093 4.500) 5.780 10.221 ( -2.721 0.130 -3.836) 4.705 10.550 ( 4.611 0.184 6.059) 7.616 11.323 ( -0.353 -0.185 -0.550) 0.680 11.325 ( -0.682 -0.068 -0.334) 0.762 11.829 ( -1.962 -0.011 -2.445) 3.135 11.988 ( 1.644 0.178 1.638) 2.327 13.654 ( -1.021 0.157 -1.140) 1.538 13.734 ( 0.561 0.310 1.001) 1.189 14.105 ( -0.667 0.153 -0.887) 1.120 14.164 ( 0.659 0.130 0.696) 0.967 14.447 ( -0.008 0.124 -0.053) 0.135 14.450 ( 0.042 0.134 0.061) 0.153 19.502 ( -6.102 0.584 -2.259) 6.533 19.652 ( 0.708 0.547 -2.963) 3.095 19.933 ( -1.806 -0.231 -0.538) 1.899 19.981 ( 0.843 0.254 0.213) 0.906 20.070 ( -0.195 1.684 -2.290) 2.850 20.122 ( -0.427 2.691 2.336) 3.589 21.511 ( -0.054 0.045 -0.819) 0.822 21.663 ( 4.321 0.743 4.008) 5.940 21.824 ( 1.720 -0.308 -1.010) 2.019 21.921 ( 3.129 -0.855 1.903) 3.761 22.194 ( -6.003 -0.113 -7.534) 9.634 22.464 ( -0.190 0.079 6.166) 6.169 ======================= Grid point 144 (68/93) ======================= q-point: ( 0.38 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 5.923 -0.813 -6.812) 9.064 1.120 ( 7.272 -6.746 -7.675) 12.542 1.318 ( 3.030 -0.621 -3.404) 4.599 1.486 ( 2.278 -3.931 7.048) 8.385 1.702 ( -5.266 -1.201 -3.330) 6.345 1.849 ( 0.099 -3.547 -4.386) 5.641 1.975 ( 5.018 4.584 -0.285) 6.803 2.080 ( -3.672 -1.026 1.756) 4.198 2.344 ( -8.043 0.159 -3.420) 8.742 2.449 ( -0.137 -0.141 -2.287) 2.295 2.552 ( -0.654 2.844 -3.181) 4.317 2.638 ( -4.399 -0.403 5.206) 6.827 2.856 ( -6.789 -1.013 -0.755) 6.906 2.936 ( -0.679 6.163 0.571) 6.227 3.026 ( 2.759 -6.072 0.838) 6.722 3.086 ( -0.773 0.097 4.471) 4.539 3.311 ( 3.057 7.230 -3.701) 8.678 3.505 ( -0.096 2.647 -4.775) 5.460 3.556 ( 0.194 -0.290 1.718) 1.753 3.607 ( 3.954 2.192 1.101) 4.653 3.717 ( 1.272 -4.104 1.640) 4.599 3.818 ( -1.598 -1.329 1.803) 2.752 4.026 ( -1.076 -2.419 -0.169) 2.653 4.501 ( -2.043 0.066 -1.407) 2.481 4.833 ( 6.870 0.577 5.533) 8.840 4.949 ( -0.683 -1.922 -3.674) 4.202 5.162 ( 5.566 0.009 8.353) 10.037 5.251 ( 9.551 -2.420 12.684) 16.061 5.906 ( -8.337 0.247 -8.050) 11.592 5.988 ( -0.848 -0.683 -1.015) 1.489 6.396 ( -0.602 0.521 -0.411) 0.896 6.411 ( 0.300 1.277 -1.384) 1.907 6.492 ( -1.296 -0.841 -0.622) 1.666 6.677 ( 0.033 0.872 0.484) 0.998 6.954 ( -1.500 0.471 -1.551) 2.208 7.022 ( -1.380 -0.063 -0.658) 1.530 7.884 ( 0.163 0.469 -1.755) 1.824 7.970 ( 0.504 -0.459 1.313) 1.479 8.082 ( -3.710 0.704 -2.909) 4.767 8.536 ( 1.503 -0.621 1.359) 2.119 8.986 ( -1.898 -0.268 -2.289) 2.986 9.444 ( 1.601 -0.063 2.105) 2.645 10.186 ( -1.200 0.165 -1.893) 2.247 10.602 ( 2.315 0.177 3.176) 3.935 11.317 ( -0.667 -0.071 -0.522) 0.850 11.325 ( -0.177 -0.382 -0.340) 0.541 11.809 ( -0.732 -0.120 -1.055) 1.290 12.002 ( 0.826 0.234 0.851) 1.209 13.640 ( -0.487 0.162 -0.554) 0.755 13.735 ( 0.253 0.299 0.282) 0.482 14.094 ( -0.321 0.226 -0.463) 0.607 14.168 ( 0.323 0.188 0.325) 0.495 14.444 ( 0.006 0.163 -0.012) 0.163 14.447 ( 0.027 0.204 0.020) 0.207 19.448 ( -2.852 -0.443 -2.187) 3.621 19.636 ( 0.739 0.372 -2.012) 2.176 19.927 ( -1.264 -0.670 -0.089) 1.433 19.980 ( 1.622 1.605 0.349) 2.308 20.025 ( -0.645 1.123 -1.706) 2.142 20.067 ( -0.579 3.656 1.762) 4.100 21.506 ( 0.186 0.176 -0.423) 0.495 21.703 ( 3.511 0.601 3.051) 4.690 21.824 ( 0.853 0.988 -2.103) 2.475 21.969 ( 2.367 -0.375 2.357) 3.361 22.125 ( -4.577 -1.285 -4.656) 6.654 22.483 ( -1.228 -0.056 3.421) 3.635 ======================= Grid point 145 (69/93) ======================= q-point: ( 0.50 0.12 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 1.893 2.305 1.561) 3.366 1.184 ( 2.941 -0.578 -0.825) 3.109 1.418 ( 9.412 0.010 -0.750) 9.441 1.549 ( -2.300 -3.135 0.213) 3.894 1.685 ( -2.288 -2.413 2.498) 4.159 1.858 ( 1.891 0.960 0.799) 2.266 2.013 ( 3.608 -2.000 -3.188) 5.213 2.120 ( -0.811 -2.410 3.482) 4.311 2.260 ( -4.275 0.347 1.332) 4.491 2.439 ( 0.880 1.578 1.926) 2.640 2.521 ( -0.443 -1.923 -5.907) 6.228 2.651 ( 2.859 4.342 -2.967) 5.985 2.798 ( -0.316 -3.044 4.678) 5.591 2.869 ( -7.352 -1.594 3.109) 8.139 3.072 ( 0.332 3.560 -0.923) 3.692 3.142 ( 0.128 -1.823 3.439) 3.895 3.241 ( 5.183 3.471 1.556) 6.430 3.311 ( -1.911 5.997 -8.224) 10.356 3.581 ( 2.492 1.331 -0.888) 2.962 3.620 ( -0.778 0.722 1.285) 1.667 3.809 ( -0.030 -3.623 0.871) 3.727 3.858 ( -0.149 -1.916 2.849) 3.437 4.053 ( -1.953 -2.548 -1.590) 3.582 4.479 ( -1.385 -0.162 -1.453) 2.014 4.856 ( -0.180 0.579 -3.179) 3.236 4.970 ( 1.258 -0.533 1.181) 1.806 5.199 ( -1.022 -0.069 -0.127) 1.033 5.357 ( -4.245 -1.259 -3.454) 5.616 5.853 ( 3.316 0.231 4.883) 5.907 5.998 ( 0.755 -0.214 1.250) 1.476 6.379 ( 0.008 0.810 -0.291) 0.860 6.389 ( 0.111 0.607 -0.847) 1.048 6.502 ( -0.282 -0.955 0.005) 0.996 6.660 ( -0.872 0.405 -0.849) 1.283 6.943 ( 0.409 -0.153 -0.094) 0.447 7.015 ( -0.573 -0.232 0.087) 0.624 7.871 ( 0.378 0.409 -0.664) 0.867 7.982 ( -0.317 -0.310 -0.010) 0.443 8.051 ( 0.583 0.449 1.444) 1.621 8.554 ( -0.184 -0.387 -0.397) 0.584 8.981 ( 0.655 -0.131 0.774) 1.022 9.455 ( -0.396 -0.071 -0.351) 0.534 10.174 ( 0.320 0.126 0.104) 0.359 10.614 ( -0.774 0.075 -0.651) 1.014 11.313 ( -0.196 -0.168 -0.124) 0.286 11.329 ( -0.033 -0.297 -0.142) 0.331 11.808 ( 0.450 -0.023 0.472) 0.653 12.003 ( -0.062 0.200 -0.099) 0.232 13.635 ( 0.059 0.086 0.070) 0.126 13.731 ( -0.138 0.150 -0.241) 0.315 14.088 ( 0.117 0.169 0.081) 0.221 14.167 ( -0.059 0.141 -0.088) 0.176 14.441 ( 0.009 0.099 0.016) 0.100 14.444 ( 0.013 0.169 -0.011) 0.170 19.443 ( -0.171 -0.796 -0.019) 0.815 19.627 ( 0.354 0.301 -1.250) 1.334 19.932 ( -0.883 -0.852 -0.162) 1.237 19.947 ( 0.503 2.317 -0.305) 2.390 20.009 ( -0.065 0.887 -0.254) 0.925 20.015 ( -0.123 1.465 0.886) 1.716 21.503 ( 0.348 0.250 0.072) 0.434 21.725 ( -0.018 0.326 -0.301) 0.444 21.793 ( 1.467 1.403 -0.479) 2.086 21.985 ( -0.069 0.807 0.641) 1.033 22.124 ( -0.265 -2.048 0.000) 2.065 22.488 ( -1.453 -0.615 0.427) 1.634 ======================= Grid point 146 (70/93) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 1.403 4.526 9.080) 10.242 1.227 ( 4.687 0.168 2.672) 5.398 1.349 ( -1.332 10.248 5.437) 11.677 1.587 ( 0.413 -3.000 -1.514) 3.386 1.824 ( 7.181 -4.927 -0.260) 8.713 1.889 ( 5.182 0.110 2.495) 5.753 1.979 ( -3.362 3.269 -4.338) 6.388 2.170 ( -0.958 -4.157 0.455) 4.291 2.279 ( 3.565 2.246 3.337) 5.375 2.427 ( -4.859 1.007 0.020) 4.962 2.474 ( 0.106 -0.924 2.817) 2.967 2.656 ( 7.173 -1.025 2.053) 7.531 2.875 ( -2.078 -4.395 2.340) 5.395 2.963 ( -3.054 -1.760 -1.252) 3.740 3.007 ( 3.816 -1.083 4.614) 6.085 3.098 ( 1.476 6.313 -4.393) 7.831 3.183 ( -0.966 -2.072 5.462) 5.921 3.324 ( 6.717 0.346 -1.869) 6.981 3.542 ( -5.043 3.223 1.543) 6.180 3.593 ( 0.825 -0.021 -2.297) 2.441 3.850 ( -0.050 -1.203 -2.521) 2.794 3.879 ( -0.640 -0.027 -0.843) 1.059 4.068 ( -1.966 -1.200 -0.735) 2.418 4.473 ( -1.096 -0.974 -0.017) 1.466 4.784 ( -6.540 1.088 -8.311) 10.632 4.971 ( -3.308 -0.033 -3.339) 4.700 5.131 ( -6.655 0.187 -9.232) 11.383 5.270 ( -5.602 0.540 -4.422) 7.157 5.965 ( 8.705 0.109 9.936) 13.211 6.018 ( 2.006 0.460 2.867) 3.529 6.373 ( 0.611 0.160 0.891) 1.092 6.386 ( 0.649 -0.296 0.484) 0.862 6.512 ( -0.158 -0.478 -0.795) 0.941 6.643 ( -1.601 -0.485 -1.605) 2.318 6.961 ( 1.841 -0.323 0.969) 2.105 7.021 ( 0.106 -0.379 0.721) 0.821 7.869 ( 0.583 0.251 0.700) 0.944 7.977 ( -0.950 -0.149 -1.138) 1.490 8.093 ( 4.672 -0.260 5.511) 7.230 8.540 ( -2.006 0.128 -2.367) 3.106 9.009 ( 3.075 0.147 3.630) 4.759 9.436 ( -2.311 -0.047 -2.808) 3.637 10.188 ( 1.827 0.019 2.148) 2.820 10.581 ( -3.665 -0.094 -4.280) 5.635 11.318 ( 0.329 -0.243 0.391) 0.565 11.332 ( 0.041 -0.047 0.057) 0.085 11.820 ( 1.435 0.188 1.709) 2.239 11.993 ( -0.941 0.103 -1.111) 1.460 13.639 ( 0.566 -0.037 0.674) 0.881 13.725 ( -0.591 -0.025 -0.663) 0.888 14.091 ( 0.540 0.018 0.618) 0.821 14.161 ( -0.431 0.015 -0.498) 0.659 14.441 ( 0.008 -0.005 0.008) 0.012 14.442 ( -0.001 0.023 -0.008) 0.025 19.467 ( 1.678 -0.539 2.139) 2.771 19.616 ( -0.291 0.303 -0.540) 0.684 19.917 ( -0.638 0.537 -0.270) 0.877 19.940 ( -0.593 -0.961 -0.713) 1.335 19.995 ( 0.571 0.072 0.467) 0.741 20.013 ( 0.183 0.024 0.179) 0.257 21.504 ( 0.557 0.228 0.661) 0.894 21.681 ( -3.232 0.716 -3.767) 5.015 21.807 ( 2.699 0.604 2.713) 3.874 21.959 ( -1.811 0.644 -1.104) 2.217 22.173 ( 2.679 -0.685 3.373) 4.362 22.488 ( -1.448 -1.283 -2.399) 3.082 ======================= Grid point 147 (71/93) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 4.528 4.779 12.321) 13.970 1.161 ( 0.271 12.342 10.472) 16.188 1.279 ( 1.840 -0.585 -0.426) 1.977 1.554 ( -2.124 6.368 -9.484) 11.620 1.840 ( -2.532 2.160 4.541) 5.630 1.921 ( 5.232 1.654 2.381) 5.981 1.976 ( 7.057 -2.105 -0.146) 7.366 2.183 ( -2.797 1.216 -2.752) 4.108 2.358 ( 3.754 -6.662 2.206) 7.958 2.376 ( -2.610 -0.730 1.491) 3.093 2.582 ( 6.265 -1.609 4.343) 7.791 2.797 ( 4.677 -5.383 7.165) 10.109 2.878 ( -2.920 3.877 1.512) 5.084 2.945 ( -4.287 -2.707 -1.251) 5.222 3.024 ( 2.314 1.772 4.743) 5.567 3.124 ( 8.391 -2.336 1.854) 8.905 3.296 ( 2.989 2.057 -5.021) 6.195 3.359 ( 4.011 -7.326 4.029) 9.273 3.419 ( -7.963 3.222 -0.436) 8.601 3.598 ( 0.543 0.838 0.572) 1.151 3.806 ( -1.534 1.530 -4.942) 5.396 3.873 ( 0.954 0.358 -1.664) 1.951 4.037 ( -3.149 1.588 -1.267) 3.748 4.498 ( -2.743 -2.474 -1.637) 4.040 4.602 ( -12.933 1.294 -14.085) 19.166 4.867 ( -9.625 -0.933 -12.294) 15.641 5.066 ( 1.705 2.866 1.772) 3.776 5.197 ( -2.793 2.173 -2.012) 4.071 6.031 ( 2.517 0.806 2.964) 3.971 6.070 ( 4.295 0.138 3.934) 5.826 6.394 ( 1.153 -0.580 2.352) 2.683 6.424 ( 3.187 -0.933 3.596) 4.895 6.508 ( -0.752 -0.283 -1.704) 1.884 6.632 ( -2.458 -1.382 -2.664) 3.879 6.991 ( 2.107 -0.372 1.761) 2.772 7.037 ( 0.395 -0.606 0.653) 0.975 7.879 ( 0.721 0.090 1.940) 2.072 7.962 ( -1.028 -0.048 -1.743) 2.024 8.188 ( 6.765 -0.678 7.260) 9.947 8.492 ( -3.683 0.487 -4.106) 5.538 9.067 ( 5.240 0.292 6.102) 8.048 9.387 ( -4.202 0.057 -5.202) 6.687 10.228 ( 3.279 -0.082 4.182) 5.315 10.514 ( -5.441 -0.270 -6.598) 8.556 11.328 ( 0.349 -0.099 0.462) 0.587 11.333 ( 0.144 0.091 0.255) 0.307 11.844 ( 2.274 0.194 2.622) 3.476 11.972 ( -1.737 -0.007 -2.061) 2.695 13.653 ( 0.993 -0.178 1.198) 1.567 13.716 ( -0.972 -0.264 -1.008) 1.425 14.103 ( 0.848 -0.128 1.015) 1.329 14.154 ( -0.735 -0.120 -0.853) 1.132 14.442 ( 0.024 -0.089 0.011) 0.093 14.443 ( -0.028 -0.150 -0.017) 0.154 19.518 ( 3.342 -1.191 3.436) 4.939 19.606 ( -0.937 0.092 0.137) 0.951 19.918 ( -0.841 -1.299 0.464) 1.616 19.953 ( 0.092 -1.061 -0.785) 1.323 20.016 ( -0.005 -0.379 0.503) 0.629 20.019 ( 0.368 -1.879 -0.631) 2.016 21.512 ( 0.893 0.183 1.242) 1.541 21.622 ( -3.301 0.448 -3.434) 4.785 21.827 ( 1.616 0.912 2.538) 3.144 21.925 ( -1.872 0.365 -2.188) 2.903 22.226 ( 3.632 0.427 5.812) 6.867 22.479 ( -2.001 -1.448 -5.055) 5.626 ======================= Grid point 148 (72/93) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 1.745 8.694 14.623) 17.102 1.075 ( 7.115 6.841 12.761) 16.133 1.258 ( -2.638 1.457 -10.205) 10.640 1.286 ( -1.757 8.806 -11.044) 14.234 1.865 ( 3.244 1.737 11.949) 12.503 1.959 ( 4.828 0.380 3.519) 5.986 2.056 ( 1.701 -2.249 1.940) 3.423 2.163 ( -2.793 -4.566 -6.118) 8.129 2.400 ( -1.588 -2.336 3.289) 4.336 2.500 ( 1.109 -5.121 -4.177) 6.701 2.670 ( 8.913 2.297 6.043) 11.011 2.765 ( -8.589 1.785 -1.609) 8.919 2.876 ( -2.147 4.130 -0.435) 4.675 2.921 ( 2.049 2.177 -1.562) 3.373 3.101 ( 7.563 -0.449 6.684) 10.103 3.199 ( -7.400 0.860 -4.901) 8.917 3.313 ( 5.706 -6.457 4.093) 9.540 3.337 ( 1.773 -1.793 -1.188) 2.787 3.545 ( -0.083 -0.623 0.147) 0.645 3.555 ( -0.864 -3.118 -0.460) 3.268 3.784 ( 5.180 1.138 5.810) 7.866 3.871 ( 2.791 1.199 2.489) 3.927 3.967 ( -2.111 2.276 0.149) 3.107 4.284 ( -20.170 0.419 -25.483) 32.502 4.596 ( 3.379 -0.878 5.790) 6.762 4.737 ( -7.209 1.059 -7.933) 10.771 5.043 ( 2.439 3.501 4.069) 5.896 5.121 ( -1.802 2.296 -3.404) 4.484 6.051 ( 2.024 0.566 2.390) 3.183 6.092 ( 0.419 0.276 -0.986) 1.107 6.432 ( 1.498 -0.518 3.012) 3.404 6.481 ( 0.210 -0.065 -0.324) 0.391 6.516 ( 3.165 -1.193 3.616) 4.951 6.615 ( -3.871 -1.640 -4.532) 6.182 7.028 ( 1.221 -0.844 2.147) 2.610 7.054 ( 0.109 -0.837 -0.205) 0.869 7.897 ( 0.677 0.054 2.620) 2.707 7.945 ( -0.709 -0.055 -2.019) 2.141 8.295 ( 6.614 -0.346 6.684) 9.410 8.420 ( -5.034 0.356 -5.332) 7.342 9.150 ( 6.547 0.285 7.618) 10.049 9.307 ( -5.845 0.162 -7.196) 9.272 10.292 ( 4.681 -0.177 6.061) 7.661 10.432 ( -5.907 -0.350 -7.354) 9.439 11.331 ( 0.094 0.164 0.478) 0.514 11.336 ( 0.117 0.001 0.076) 0.139 11.881 ( 2.840 -0.093 3.014) 4.142 11.942 ( -2.371 -0.085 -2.801) 3.671 13.675 ( 1.273 -0.291 1.600) 2.065 13.707 ( -1.292 -0.466 -1.396) 1.958 14.120 ( 1.005 -0.183 1.210) 1.583 14.144 ( -0.922 -0.181 -1.106) 1.451 14.444 ( 0.036 -0.159 0.051) 0.170 14.446 ( -0.037 -0.195 -0.057) 0.206 19.592 ( -0.463 -1.402 1.868) 2.381 19.610 ( 2.265 -1.727 0.389) 2.875 19.948 ( -0.596 -1.575 1.348) 2.157 19.971 ( 1.064 -0.752 -0.534) 1.408 20.029 ( -0.386 -1.442 1.415) 2.057 20.065 ( -0.138 -3.301 -1.972) 3.848 21.527 ( 1.517 0.098 1.830) 2.379 21.573 ( -2.714 0.199 -2.674) 3.815 21.832 ( 1.495 1.242 2.433) 3.114 21.885 ( -1.463 0.995 -2.899) 3.397 22.286 ( 3.515 0.379 7.917) 8.671 22.446 ( -3.219 -0.937 -7.350) 8.078 ======================= Grid point 151 (73/93) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 9.878 0.000 -13.275) 16.547 0.983 ( 13.475 0.000 -6.037) 14.766 1.324 ( -4.884 -0.000 -3.323) 5.907 1.392 ( 11.796 0.000 9.868) 15.379 1.646 ( 5.186 0.000 -20.490) 21.136 1.764 ( -7.474 -0.000 -2.543) 7.895 2.108 ( 4.455 0.000 3.162) 5.464 2.243 ( -3.142 -0.000 2.731) 4.163 2.313 ( -9.269 -0.000 -7.859) 12.152 2.324 ( -2.438 -0.000 2.200) 3.284 2.624 ( -7.790 -0.000 -1.950) 8.031 2.710 ( -3.393 -0.000 12.025) 12.494 2.784 ( 1.071 0.000 6.380) 6.469 2.896 ( -2.155 -0.000 3.021) 3.711 3.072 ( -3.247 -0.000 -1.750) 3.689 3.231 ( 4.033 0.000 4.877) 6.328 3.234 ( 2.701 0.000 0.107) 2.703 3.503 ( 1.981 0.000 -6.814) 7.096 3.559 ( 4.194 0.000 -0.420) 4.215 3.596 ( 3.194 0.000 -1.140) 3.391 3.789 ( -1.985 -0.000 -3.253) 3.811 3.791 ( -1.382 -0.000 -0.605) 1.508 3.976 ( -2.176 -0.000 1.483) 2.634 4.500 ( -2.910 -0.000 -0.310) 2.927 4.837 ( 6.657 0.000 3.369) 7.461 4.894 ( -0.393 -0.000 -4.835) 4.851 5.163 ( 2.028 0.000 4.533) 4.966 5.195 ( 14.545 0.000 19.560) 24.375 5.914 ( -8.319 -0.000 -7.318) 11.080 5.972 ( -0.452 -0.000 -0.699) 0.833 6.406 ( -0.462 -0.000 -0.096) 0.472 6.440 ( 0.407 0.000 -1.435) 1.491 6.471 ( -2.105 -0.000 -1.873) 2.818 6.697 ( -0.286 -0.000 0.542) 0.612 6.976 ( -2.189 -0.000 -1.822) 2.848 7.018 ( -2.204 -0.000 -0.778) 2.337 7.895 ( 0.426 0.000 -2.268) 2.308 7.958 ( 0.478 0.000 1.586) 1.656 8.097 ( -3.583 -0.000 -2.429) 4.329 8.521 ( 1.538 0.000 1.187) 1.942 8.980 ( -1.939 -0.000 -2.269) 2.985 9.444 ( 1.755 0.000 2.333) 2.919 10.189 ( -1.187 -0.000 -2.115) 2.425 10.607 ( 2.114 0.000 3.243) 3.871 11.315 ( -0.256 -0.000 -0.560) 0.616 11.315 ( -0.836 -0.000 -0.574) 1.015 11.807 ( -0.747 -0.000 -1.117) 1.344 12.007 ( 0.868 0.000 0.815) 1.191 13.644 ( -0.557 -0.000 -0.638) 0.847 13.743 ( -0.012 -0.000 0.256) 0.256 14.099 ( -0.311 -0.000 -0.480) 0.573 14.172 ( 0.345 0.000 0.318) 0.469 14.448 ( 0.017 0.000 -0.038) 0.041 14.452 ( 0.022 0.000 0.049) 0.054 19.441 ( -4.892 -0.000 -3.021) 5.750 19.644 ( 0.584 0.000 -3.282) 3.333 19.914 ( -1.556 -0.000 -0.210) 1.570 19.993 ( 1.045 0.000 0.383) 1.113 20.073 ( 0.085 0.000 -2.157) 2.159 20.152 ( -1.196 -0.000 1.934) 2.273 21.510 ( 0.474 0.000 -0.465) 0.664 21.722 ( 3.098 0.000 2.057) 3.719 21.856 ( 3.796 0.000 3.240) 4.990 21.943 ( 2.873 0.000 0.594) 2.934 22.101 ( -6.097 -0.000 -6.544) 8.944 22.484 ( -2.180 -0.000 4.355) 4.870 ======================= Grid point 152 (74/93) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 8.852 -4.699 -9.673) 13.928 1.150 ( 18.149 -0.274 7.144) 19.506 1.282 ( 0.008 -2.859 -1.384) 3.177 1.496 ( 1.347 0.143 1.842) 2.287 1.609 ( 4.438 -3.000 -15.898) 16.776 1.720 ( -5.181 -2.685 -2.462) 6.334 2.143 ( 9.069 3.773 5.317) 11.169 2.151 ( -1.091 5.135 5.387) 7.522 2.260 ( -4.032 0.019 1.818) 4.423 2.403 ( 1.190 -3.809 0.664) 4.045 2.521 ( -6.388 0.958 -1.582) 6.650 2.705 ( -3.158 2.215 9.098) 9.882 2.831 ( -3.931 2.252 4.438) 6.342 2.942 ( 2.108 -5.647 4.027) 7.249 3.025 ( -1.824 3.003 0.009) 3.514 3.140 ( 0.454 5.075 2.193) 5.547 3.395 ( 3.025 -2.247 -3.294) 5.005 3.475 ( 0.257 -1.376 -1.470) 2.030 3.557 ( 0.654 1.780 -1.524) 2.433 3.640 ( 4.131 -1.233 -1.532) 4.575 3.728 ( -1.200 2.580 -2.318) 3.670 3.771 ( -1.725 -1.928 -1.753) 3.125 3.969 ( -3.283 -1.626 -0.762) 3.742 4.475 ( -2.487 -0.064 -0.619) 2.563 4.836 ( -1.500 -1.223 -8.140) 8.367 4.939 ( 4.643 -0.708 3.601) 5.918 5.197 ( -0.014 -0.115 2.500) 2.503 5.302 ( -5.499 -1.106 -3.798) 6.774 5.868 ( 3.101 0.373 6.157) 6.904 5.985 ( 1.711 -0.303 2.161) 2.773 6.396 ( -0.957 0.218 -1.518) 1.808 6.428 ( 0.453 0.867 -1.286) 1.616 6.461 ( -0.361 -0.834 0.585) 1.081 6.682 ( -1.274 0.529 -1.550) 2.075 6.950 ( -0.517 0.547 -0.448) 0.875 7.004 ( -1.386 -0.396 -0.133) 1.448 7.885 ( 0.764 0.301 -1.783) 1.963 7.968 ( -0.478 -0.338 0.379) 0.697 8.076 ( 0.253 0.532 1.970) 2.056 8.535 ( 0.115 -0.424 -0.326) 0.547 8.973 ( 0.751 -0.192 0.972) 1.243 9.455 ( -0.370 0.062 -0.144) 0.402 10.178 ( 0.395 0.069 -0.206) 0.451 10.619 ( -0.945 0.110 -0.461) 1.057 11.307 ( -0.555 -0.105 -0.420) 0.704 11.314 ( -0.117 -0.355 -0.427) 0.568 11.806 ( 0.718 -0.051 0.647) 0.968 12.012 ( 0.036 0.175 -0.047) 0.185 13.639 ( -0.009 0.090 -0.021) 0.092 13.739 ( -0.317 0.171 -0.470) 0.592 14.095 ( 0.123 0.152 0.032) 0.198 14.173 ( -0.015 0.139 -0.089) 0.166 14.447 ( 0.035 0.120 -0.003) 0.125 14.450 ( 0.004 0.141 0.017) 0.142 19.408 ( -1.112 -0.701 -1.199) 1.779 19.631 ( 0.569 -0.003 -3.032) 3.085 19.907 ( -0.961 -0.404 0.294) 1.083 20.002 ( 0.457 -0.181 -0.182) 0.525 20.048 ( 0.728 2.023 -1.355) 2.541 20.126 ( -1.497 2.405 1.486) 3.199 21.512 ( 0.772 0.174 -0.042) 0.793 21.740 ( 0.906 0.375 -0.485) 1.094 21.876 ( 2.980 2.887 1.362) 4.367 21.987 ( 2.113 -1.301 2.113) 3.260 22.042 ( -3.048 -1.486 -2.999) 4.527 22.476 ( -3.627 -0.062 1.872) 4.081 ======================= Grid point 153 (75/93) ======================= q-point: ( 0.50 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 5.620 -1.120 -1.771) 5.998 1.224 ( 2.613 -0.418 1.887) 3.250 1.473 ( -4.926 -1.854 -0.542) 5.291 1.524 ( 18.358 -3.761 12.368) 22.452 1.651 ( 1.651 -2.264 -1.374) 3.120 1.727 ( -2.181 -5.518 -8.329) 10.226 2.106 ( 6.333 4.838 3.645) 8.763 2.175 ( -1.295 3.992 2.303) 4.787 2.273 ( 6.155 -1.962 8.944) 11.033 2.414 ( -3.890 -0.529 -2.535) 4.673 2.518 ( 2.177 1.164 2.312) 3.382 2.722 ( -0.407 -0.953 7.465) 7.537 2.743 ( -2.747 2.978 -3.356) 5.261 2.886 ( -4.093 4.774 -1.089) 6.382 3.089 ( 3.120 -3.640 2.101) 5.235 3.143 ( -2.061 0.048 9.342) 9.567 3.345 ( 5.823 4.020 -3.978) 8.117 3.383 ( -2.078 5.757 -5.314) 8.106 3.604 ( 0.946 -0.978 -0.630) 1.500 3.650 ( 0.326 2.311 -0.205) 2.343 3.723 ( 0.174 -4.586 -1.419) 4.804 3.821 ( -0.509 -3.570 2.453) 4.362 3.967 ( -3.477 -2.427 -3.291) 5.367 4.455 ( -1.811 -0.109 -0.508) 1.885 4.790 ( -3.850 -0.987 -9.210) 10.031 4.957 ( -7.102 -0.295 -8.612) 11.167 5.135 ( -6.566 -0.310 -7.306) 9.828 5.242 ( -3.563 -1.585 -1.378) 4.136 5.981 ( 8.771 0.636 12.250) 15.080 6.026 ( 2.810 -0.000 3.885) 4.795 6.378 ( -0.695 -0.190 -0.791) 1.071 6.406 ( 0.665 1.279 -0.546) 1.541 6.485 ( 0.436 -0.767 0.564) 1.047 6.646 ( -1.933 0.488 -2.709) 3.364 6.950 ( 1.196 -0.083 0.759) 1.419 7.005 ( -0.635 -0.531 0.444) 0.940 7.880 ( 1.062 0.312 -0.813) 1.373 7.965 ( -1.401 -0.441 -0.855) 1.699 8.105 ( 4.026 0.712 6.017) 7.275 8.531 ( -1.595 -0.460 -2.194) 2.752 9.008 ( 3.250 -0.171 3.935) 5.106 9.435 ( -2.388 0.016 -2.599) 3.529 10.191 ( 1.969 0.111 1.777) 2.655 10.583 ( -3.835 0.151 -4.042) 5.574 11.307 ( -0.062 -0.315 0.044) 0.324 11.320 ( 0.002 -0.514 -0.271) 0.581 11.825 ( 1.761 0.044 2.054) 2.705 12.001 ( -0.809 0.290 -0.958) 1.287 13.641 ( 0.503 0.098 0.584) 0.777 13.728 ( -0.623 0.147 -0.934) 1.132 14.096 ( 0.557 0.216 0.569) 0.826 14.166 ( -0.391 0.208 -0.496) 0.665 14.444 ( 0.036 0.169 0.027) 0.174 14.447 ( -0.006 0.208 -0.017) 0.209 19.430 ( 1.213 -1.276 1.381) 2.237 19.620 ( 0.214 -0.104 -2.708) 2.719 19.913 ( -0.538 -0.571 0.488) 0.924 19.988 ( -0.942 1.485 -1.987) 2.654 20.018 ( 1.805 1.338 0.603) 2.326 20.067 ( -1.274 3.118 1.070) 3.534 21.516 ( 1.015 0.354 0.543) 1.204 21.711 ( -2.515 0.846 -3.370) 4.289 21.854 ( 3.092 2.159 1.238) 3.969 21.995 ( -1.464 0.574 -0.761) 1.747 22.097 ( 3.347 -2.692 3.479) 5.528 22.451 ( -4.077 -0.647 -0.811) 4.207 ======================= Grid point 154 (76/93) ======================= q-point: ( 0.62 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 5.175 1.623 4.804) 7.245 1.266 ( 1.817 -0.785 0.181) 1.988 1.484 ( -2.560 -1.442 0.156) 2.942 1.626 ( 5.840 5.881 8.651) 11.981 1.768 ( -5.177 -8.015 0.478) 9.553 1.848 ( 11.978 -4.390 3.144) 13.138 2.050 ( 1.276 6.203 0.841) 6.389 2.138 ( 1.046 0.190 -0.978) 1.444 2.376 ( 0.796 1.151 1.281) 1.897 2.401 ( 0.569 1.351 -1.004) 1.777 2.488 ( -0.501 -0.609 4.611) 4.678 2.657 ( 2.018 -0.123 -4.004) 4.485 2.797 ( -1.848 -2.222 3.880) 4.838 2.871 ( -0.892 -3.703 1.621) 4.140 3.117 ( 2.741 2.943 1.359) 4.245 3.141 ( -3.405 0.563 2.021) 3.999 3.278 ( 8.115 5.015 5.494) 11.009 3.400 ( 8.260 -0.189 3.012) 8.794 3.563 ( -4.829 2.940 -1.382) 5.820 3.607 ( 2.294 1.680 -1.059) 3.034 3.791 ( -1.458 -3.242 -2.102) 4.130 3.864 ( -1.300 -0.053 -0.561) 1.417 3.982 ( -3.115 -4.275 -1.922) 5.628 4.439 ( -3.233 -0.492 -2.227) 3.956 4.648 ( -15.542 0.563 -15.922) 22.257 4.799 ( -8.083 -2.312 -13.964) 16.299 5.131 ( 3.052 0.531 2.452) 3.951 5.233 ( -2.747 -0.367 -0.241) 2.782 6.061 ( 2.848 0.715 3.776) 4.784 6.085 ( 4.403 0.648 6.120) 7.567 6.394 ( 1.693 -0.096 1.416) 2.209 6.398 ( 1.836 0.212 2.345) 2.986 6.492 ( -0.910 -0.372 -1.297) 1.628 6.606 ( -2.468 -0.048 -3.453) 4.244 6.976 ( 1.977 -0.498 1.264) 2.399 7.015 ( -0.316 -0.647 0.482) 0.866 7.884 ( 1.332 0.183 0.475) 1.426 7.953 ( -1.720 -0.404 -1.471) 2.299 8.180 ( 6.401 0.261 8.169) 10.381 8.498 ( -3.450 -0.136 -4.264) 5.487 9.074 ( 5.230 0.040 6.224) 8.130 9.387 ( -4.207 -0.032 -4.880) 6.443 10.228 ( 3.489 0.078 3.787) 5.150 10.510 ( -5.657 0.057 -6.419) 8.556 11.317 ( 0.257 -0.451 0.368) 0.636 11.328 ( 0.022 -0.413 -0.161) 0.444 11.853 ( 2.322 0.233 2.786) 3.635 11.978 ( -1.590 0.306 -1.852) 2.460 13.650 ( 0.914 0.030 1.086) 1.420 13.713 ( -0.967 0.058 -1.239) 1.573 14.103 ( 0.874 0.163 0.985) 1.327 14.154 ( -0.724 0.160 -0.857) 1.133 14.442 ( 0.019 0.119 0.034) 0.125 14.443 ( -0.006 0.163 -0.029) 0.165 19.480 ( 2.092 -1.204 2.876) 3.754 19.607 ( -0.520 -0.132 -2.370) 2.430 19.916 ( -0.916 0.010 0.204) 0.939 19.939 ( -0.063 1.798 -1.247) 2.189 20.015 ( 0.402 0.957 0.398) 1.112 20.021 ( -0.074 0.997 0.511) 1.123 21.523 ( 1.264 0.434 1.263) 1.839 21.647 ( -3.321 0.874 -3.890) 5.189 21.861 ( 2.929 1.157 1.997) 3.729 21.955 ( -1.969 1.221 -1.309) 2.661 22.197 ( 4.309 -1.935 4.845) 6.767 22.426 ( -3.799 -1.396 -3.218) 5.171 ======================= Grid point 155 (77/93) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 5.114 2.872 6.667) 8.879 1.266 ( -0.188 0.277 -5.400) 5.410 1.439 ( 3.363 8.404 8.984) 12.753 1.602 ( -0.160 4.028 -4.798) 6.267 1.837 ( -2.972 -2.910 5.053) 6.545 1.941 ( -1.600 -0.251 -3.410) 3.775 2.040 ( 11.515 0.745 5.156) 12.639 2.126 ( -6.252 0.260 -2.483) 6.732 2.336 ( 1.509 -0.821 -0.463) 1.779 2.343 ( -3.468 -0.183 -1.086) 3.638 2.621 ( 6.523 -4.347 5.661) 9.670 2.707 ( -3.650 -4.959 -3.623) 7.144 2.858 ( 0.225 -2.804 3.425) 4.432 2.899 ( -1.022 -1.081 0.761) 1.671 3.100 ( 2.214 1.539 2.925) 3.978 3.141 ( 1.471 -0.940 -1.847) 2.541 3.369 ( 4.087 2.304 8.036) 9.305 3.430 ( 6.538 4.772 -2.068) 8.355 3.457 ( 2.909 2.945 6.427) 7.644 3.612 ( -0.122 0.572 -0.665) 0.885 3.767 ( -5.197 -0.194 -2.819) 5.915 3.846 ( -0.458 -1.895 -5.770) 6.091 4.022 ( 0.132 -0.929 4.225) 4.328 4.289 ( -15.513 -0.400 -19.906) 25.240 4.555 ( -0.352 -1.207 5.539) 5.680 4.725 ( -4.382 -1.403 -9.635) 10.678 5.153 ( 3.398 1.926 3.055) 4.959 5.198 ( -2.776 1.223 -1.250) 3.281 6.082 ( 1.888 0.983 2.545) 3.318 6.109 ( 0.532 0.667 0.458) 0.969 6.415 ( 2.116 -0.120 2.530) 3.301 6.458 ( 2.198 -0.927 2.751) 3.641 6.479 ( -0.026 -0.583 -0.243) 0.632 6.567 ( -3.480 -0.714 -4.321) 5.594 7.008 ( 1.381 -0.499 1.335) 1.985 7.026 ( -0.230 -0.730 -0.247) 0.805 7.900 ( 1.427 0.100 1.652) 2.185 7.936 ( -1.627 -0.379 -1.869) 2.507 8.284 ( 6.958 -0.163 8.168) 10.731 8.432 ( -5.216 0.192 -6.106) 8.033 9.160 ( 6.423 0.182 7.538) 9.905 9.312 ( -5.755 0.058 -6.837) 8.937 10.288 ( 4.824 -0.006 5.663) 7.440 10.423 ( -6.074 -0.145 -7.157) 9.388 11.329 ( 0.225 -0.335 0.334) 0.524 11.333 ( -0.022 -0.212 -0.083) 0.228 11.885 ( 2.569 0.275 3.026) 3.979 11.944 ( -2.203 0.238 -2.612) 3.425 13.667 ( 1.185 -0.103 1.417) 1.850 13.696 ( -1.211 -0.090 -1.405) 1.857 14.116 ( 1.013 0.019 1.199) 1.570 14.140 ( -0.934 0.018 -1.116) 1.455 14.441 ( 0.003 0.001 0.016) 0.016 14.441 ( -0.003 0.029 -0.016) 0.033 19.537 ( 2.087 -1.191 3.141) 3.955 19.591 ( -1.117 -0.260 -2.010) 2.314 19.903 ( -0.868 0.033 0.545) 1.025 19.923 ( 0.152 -0.443 -1.155) 1.246 20.010 ( 0.359 -0.089 0.476) 0.603 20.016 ( 0.012 0.196 -0.113) 0.226 21.536 ( 1.508 0.403 1.996) 2.534 21.588 ( -2.617 0.580 -3.117) 4.111 21.873 ( 1.845 1.075 1.978) 2.911 21.912 ( -1.445 0.831 -1.801) 2.454 22.286 ( 3.981 -0.729 5.716) 7.004 22.400 ( -3.613 -1.560 -5.131) 6.466 ======================= Grid point 156 (78/93) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -1.396 3.242 2.935) 4.591 1.233 ( 6.270 1.109 -3.873) 7.452 1.350 ( 2.209 10.498 5.264) 11.950 1.406 ( 1.640 9.879 -7.361) 12.429 1.905 ( -1.327 -2.822 4.581) 5.542 1.933 ( -2.305 0.201 -2.136) 3.149 2.004 ( -10.968 -1.900 -5.037) 12.218 2.137 ( 8.648 1.027 2.907) 9.182 2.351 ( -2.468 -3.502 2.246) 4.837 2.424 ( 3.121 -3.500 -1.951) 5.080 2.666 ( -10.633 -0.371 -3.443) 11.182 2.785 ( 7.052 -3.293 4.648) 9.065 2.887 ( -2.440 -0.974 2.549) 3.660 2.974 ( 4.592 -1.233 -2.040) 5.174 3.127 ( -0.796 -1.562 1.826) 2.531 3.154 ( -1.682 -0.458 -4.233) 4.578 3.248 ( -6.700 3.082 -0.496) 7.392 3.382 ( 6.409 3.462 -1.863) 7.519 3.515 ( -5.406 0.584 -7.086) 8.932 3.577 ( 6.881 0.259 4.796) 8.392 3.790 ( -2.030 -2.896 4.671) 5.858 3.838 ( -2.659 -1.748 -6.434) 7.178 4.086 ( -4.589 2.155 -6.417) 8.178 4.125 ( 11.616 1.443 14.090) 18.318 4.621 ( -3.062 -1.085 2.116) 3.877 4.682 ( 3.025 -0.611 -0.164) 3.091 5.130 ( -2.116 2.506 -2.465) 4.103 5.150 ( 2.713 2.987 2.479) 4.735 6.085 ( -0.809 0.719 -1.124) 1.560 6.087 ( 0.129 0.777 0.117) 0.797 6.450 ( -1.755 -0.743 -2.533) 3.170 6.455 ( 1.714 -0.486 2.477) 3.051 6.525 ( -4.664 -1.211 -4.912) 6.881 6.552 ( 4.048 -1.319 4.851) 6.455 7.022 ( -1.341 -0.689 -0.310) 1.539 7.040 ( 0.755 -0.620 -0.058) 0.978 7.920 ( 0.373 -0.010 0.856) 0.934 7.922 ( -0.257 -0.258 -0.642) 0.738 8.341 ( -6.553 0.134 -7.130) 9.685 8.382 ( 5.933 -0.032 6.491) 8.794 9.215 ( -6.577 0.208 -7.850) 10.243 9.253 ( 6.413 0.210 7.509) 9.877 10.339 ( -5.383 -0.288 -6.603) 8.524 10.370 ( 5.771 -0.134 7.021) 9.090 11.333 ( -0.131 -0.030 0.099) 0.167 11.335 ( -0.011 -0.073 -0.076) 0.106 11.904 ( -2.533 0.131 -2.998) 3.927 11.920 ( 2.553 0.070 2.800) 3.790 13.681 ( -1.311 -0.252 -1.442) 1.966 13.689 ( 1.265 -0.267 1.516) 1.993 14.126 ( -0.961 -0.141 -1.012) 1.403 14.133 ( 0.967 -0.115 0.988) 1.387 14.442 ( -0.032 -0.117 -0.018) 0.123 14.442 ( 0.035 -0.120 0.018) 0.126 19.564 ( -2.701 -0.632 -0.556) 2.829 19.602 ( 2.171 -1.338 0.397) 2.581 19.919 ( -0.539 -1.635 1.442) 2.246 19.942 ( 0.657 -1.903 -1.059) 2.274 20.011 ( -0.795 -0.398 0.155) 0.902 20.026 ( 0.591 -0.888 -0.356) 1.124 21.543 ( -1.638 0.263 -1.077) 1.978 21.563 ( 2.112 0.296 1.523) 2.620 21.868 ( -0.837 0.692 -0.311) 1.130 21.889 ( 1.747 1.012 0.061) 2.020 22.345 ( -1.845 -0.611 0.147) 1.949 22.369 ( 0.748 -0.397 -0.203) 0.871 ======================= Grid point 160 (79/93) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 11.694 0.000 -8.583) 14.506 1.196 ( -4.167 -0.000 -2.228) 4.726 1.420 ( 6.046 0.000 12.322) 13.725 1.481 ( 2.030 0.000 1.421) 2.478 1.522 ( 14.045 0.000 -18.726) 23.408 1.687 ( 0.163 0.000 4.662) 4.665 2.168 ( -0.435 -0.000 0.901) 1.001 2.304 ( 6.938 0.000 0.499) 6.956 2.354 ( 1.921 0.000 7.101) 7.357 2.367 ( 1.803 0.000 11.325) 11.468 2.486 ( -0.071 -0.000 1.419) 1.421 2.729 ( -5.442 -0.000 7.890) 9.585 2.870 ( -5.359 -0.000 4.190) 6.803 2.931 ( 3.630 0.000 8.018) 8.801 3.035 ( -2.690 -0.000 2.526) 3.690 3.272 ( -0.642 -0.000 -3.961) 4.013 3.288 ( 3.818 0.000 2.781) 4.724 3.463 ( 0.476 0.000 -5.365) 5.386 3.594 ( -0.481 -0.000 -3.075) 3.113 3.631 ( 2.569 0.000 -0.669) 2.654 3.716 ( -0.370 -0.000 -5.076) 5.089 3.724 ( -0.883 -0.000 -3.411) 3.523 3.910 ( -3.655 -0.000 -2.408) 4.377 4.456 ( -1.811 -0.000 0.768) 1.967 4.755 ( -2.971 -0.000 -8.987) 9.466 4.953 ( -6.345 -0.000 -8.041) 10.243 5.122 ( -10.010 -0.000 -11.673) 15.377 5.203 ( -1.400 -0.000 1.659) 2.171 5.996 ( 8.669 0.000 13.140) 15.742 6.024 ( 3.341 0.000 4.398) 5.523 6.372 ( -1.555 -0.000 -1.427) 2.110 6.437 ( 0.808 0.000 -0.823) 1.153 6.469 ( 1.387 0.000 1.556) 2.084 6.659 ( -2.135 -0.000 -3.230) 3.872 6.955 ( 0.283 0.000 0.592) 0.656 6.989 ( -0.775 -0.000 0.210) 0.802 7.887 ( 1.201 0.000 -1.494) 1.917 7.954 ( -1.603 -0.000 -0.767) 1.777 8.122 ( 3.719 0.000 6.154) 7.190 8.520 ( -1.286 -0.000 -1.965) 2.348 9.003 ( 3.342 0.000 4.024) 5.231 9.436 ( -2.488 -0.000 -2.578) 3.583 10.194 ( 2.087 0.000 1.687) 2.683 10.587 ( -3.884 -0.000 -3.879) 5.489 11.301 ( -0.259 -0.000 -0.156) 0.302 11.308 ( 0.010 0.000 -0.408) 0.408 11.825 ( 1.934 0.000 2.224) 2.947 12.008 ( -0.765 -0.000 -0.961) 1.228 13.643 ( 0.475 0.000 0.540) 0.719 13.731 ( -0.694 -0.000 -1.073) 1.278 14.101 ( 0.557 0.000 0.546) 0.780 14.171 ( -0.359 -0.000 -0.496) 0.612 14.448 ( 0.058 0.000 0.018) 0.060 14.452 ( -0.025 -0.000 -0.001) 0.025 19.401 ( 1.237 0.000 1.150) 1.689 19.616 ( 0.359 0.000 -3.668) 3.686 19.901 ( -0.278 -0.000 0.853) 0.898 19.994 ( -0.678 -0.000 -1.293) 1.460 20.075 ( 1.870 0.000 -0.347) 1.902 20.140 ( -2.063 -0.000 1.060) 2.320 21.524 ( 1.280 0.000 0.494) 1.372 21.730 ( -1.912 -0.000 -2.886) 3.462 21.936 ( -1.009 -0.000 -0.079) 1.012 21.976 ( 0.998 0.000 -0.690) 1.214 22.036 ( 4.804 0.000 4.413) 6.523 22.442 ( -5.297 -0.000 -0.217) 5.302 ======================= Grid point 161 (80/93) ======================= q-point: ( 0.50 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 9.024 -3.253 -3.181) 10.107 1.191 ( -1.145 -2.444 0.133) 2.702 1.336 ( -13.631 -4.164 -3.788) 14.748 1.489 ( 2.205 -3.317 -13.623) 14.193 1.739 ( 4.701 0.260 8.667) 9.864 1.795 ( 22.555 -0.064 16.205) 27.773 2.149 ( -3.162 -0.769 -5.766) 6.622 2.278 ( 3.306 5.029 1.104) 6.119 2.372 ( 3.259 3.468 9.428) 10.561 2.464 ( 3.800 0.566 8.722) 9.530 2.549 ( 1.527 -0.666 2.482) 2.989 2.721 ( -1.538 0.329 1.822) 2.406 2.797 ( -3.966 3.536 5.498) 7.646 2.945 ( -3.567 6.840 -3.388) 8.425 3.053 ( 2.246 -4.566 5.672) 7.620 3.203 ( -1.730 2.006 4.461) 5.189 3.402 ( 3.082 -0.596 2.061) 3.756 3.427 ( 3.879 1.216 -3.990) 5.696 3.549 ( -1.035 -1.881 -2.390) 3.213 3.671 ( -0.954 -0.361 -2.634) 2.825 3.692 ( 4.031 0.689 -2.619) 4.856 3.749 ( 0.502 -4.857 1.505) 5.109 3.882 ( -3.127 -1.150 -3.452) 4.798 4.449 ( -1.051 0.620 1.411) 1.865 4.640 ( -19.429 -0.514 -20.258) 28.073 4.726 ( -8.958 -1.286 -15.330) 17.802 5.118 ( 3.947 -0.681 1.804) 4.392 5.200 ( -2.752 -0.825 0.793) 2.980 6.077 ( 3.264 0.199 4.426) 5.503 6.108 ( 4.200 0.447 7.563) 8.662 6.376 ( 1.602 -0.330 2.651) 3.115 6.434 ( 1.183 0.861 0.105) 1.467 6.485 ( 0.507 -0.071 0.051) 0.515 6.615 ( -2.658 0.263 -4.276) 5.042 6.965 ( 1.201 -0.040 0.970) 1.544 6.992 ( -0.411 -0.502 0.278) 0.706 7.891 ( 1.549 0.145 -0.732) 1.719 7.937 ( -2.019 -0.373 -1.134) 2.346 8.197 ( 5.523 0.424 8.068) 9.787 8.489 ( -2.843 -0.190 -3.836) 4.778 9.071 ( 5.361 -0.127 6.402) 8.351 9.386 ( -4.346 0.016 -4.841) 6.506 10.232 ( 3.715 0.107 3.646) 5.206 10.515 ( -5.803 0.131 -6.232) 8.516 11.302 ( 0.027 -0.260 0.110) 0.283 11.310 ( 0.084 -0.390 -0.342) 0.525 11.859 ( 2.527 0.073 3.085) 3.989 11.988 ( -1.529 0.190 -1.821) 2.385 13.653 ( 0.873 0.060 1.032) 1.353 13.716 ( -0.965 0.081 -1.416) 1.716 14.110 ( 0.884 0.145 0.969) 1.319 14.162 ( -0.686 0.155 -0.860) 1.111 14.448 ( 0.061 0.128 0.040) 0.147 14.450 ( -0.041 0.137 -0.026) 0.145 19.437 ( 2.225 -0.827 3.051) 3.866 19.598 ( -0.101 -0.239 -4.084) 4.092 19.910 ( 0.247 -0.201 1.226) 1.267 19.977 ( -1.085 0.072 -1.871) 2.165 20.074 ( 2.185 1.843 0.200) 2.865 20.106 ( -2.123 2.038 0.713) 3.028 21.539 ( 1.744 0.303 1.262) 2.174 21.678 ( -3.780 0.642 -3.947) 5.503 21.915 ( 1.204 1.434 0.891) 2.074 21.978 ( -0.848 -0.180 -1.315) 1.575 22.130 ( 6.522 -1.172 5.703) 8.743 22.389 ( -5.937 -0.449 -2.358) 6.404 ======================= Grid point 162 (81/93) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 3.636 -1.933 2.946) 5.063 1.223 ( 0.218 -2.852 -3.802) 4.757 1.368 ( -5.630 -7.833 3.332) 10.206 1.531 ( -1.205 -7.163 -9.642) 12.071 1.819 ( 4.139 0.815 11.134) 11.906 1.966 ( 7.064 2.237 2.883) 7.951 2.128 ( 3.525 0.957 -0.373) 3.672 2.194 ( -1.589 5.328 -0.893) 5.631 2.367 ( 0.246 2.613 3.906) 4.706 2.476 ( -3.309 4.705 -2.343) 6.211 2.538 ( 4.298 0.830 7.913) 9.043 2.681 ( -0.302 3.400 -7.169) 7.940 2.784 ( -0.250 -0.337 5.426) 5.442 2.833 ( -0.342 -0.360 0.128) 0.513 3.141 ( -1.546 0.407 2.228) 2.743 3.157 ( 0.400 0.363 -0.222) 0.584 3.440 ( 2.759 -0.421 4.167) 5.015 3.487 ( 7.894 0.870 8.208) 11.421 3.556 ( 0.247 0.183 -3.507) 3.521 3.642 ( -0.511 0.643 -2.701) 2.823 3.732 ( 3.852 -1.173 0.754) 4.096 3.831 ( -6.244 -0.917 -7.178) 9.557 3.901 ( 6.423 -3.721 10.220) 12.631 4.266 ( -20.788 -0.420 -23.653) 31.493 4.508 ( -1.443 -1.273 3.721) 4.189 4.660 ( -2.981 -1.834 -9.550) 10.171 5.174 ( 3.231 -0.485 2.204) 3.942 5.195 ( -2.931 -1.019 -0.001) 3.103 6.114 ( 2.264 0.678 3.033) 3.845 6.135 ( -0.119 0.669 1.460) 1.610 6.427 ( 2.756 0.263 2.759) 3.908 6.438 ( 2.556 0.216 3.429) 4.282 6.476 ( -0.756 0.300 -0.971) 1.267 6.560 ( -3.144 0.137 -5.114) 6.005 6.988 ( 1.364 -0.521 0.913) 1.722 7.000 ( -0.318 -0.650 -0.200) 0.751 7.902 ( 1.835 0.034 0.375) 1.873 7.920 ( -2.142 -0.463 -1.331) 2.564 8.286 ( 6.216 0.256 8.327) 10.394 8.434 ( -4.555 -0.008 -5.888) 7.444 9.162 ( 6.380 -0.054 7.591) 9.916 9.312 ( -5.740 -0.039 -6.619) 8.762 10.292 ( 5.113 0.177 5.448) 7.474 10.423 ( -6.336 0.136 -7.045) 9.476 11.311 ( 0.161 -0.513 0.261) 0.598 11.318 ( 0.040 -0.533 -0.341) 0.634 11.896 ( 2.611 0.237 3.214) 4.148 11.956 ( -2.177 0.319 -2.539) 3.359 13.667 ( 1.125 0.062 1.371) 1.775 13.697 ( -1.169 0.089 -1.554) 1.946 14.121 ( 1.025 0.215 1.187) 1.583 14.145 ( -0.934 0.224 -1.126) 1.480 14.445 ( 0.038 0.190 0.049) 0.200 14.446 ( -0.037 0.193 -0.042) 0.201 19.494 ( 2.084 -1.147 3.601) 4.315 19.577 ( -0.947 -0.438 -4.232) 4.358 19.920 ( 0.162 0.244 1.292) 1.325 19.953 ( -0.518 0.651 -1.792) 1.975 20.050 ( -1.426 2.318 0.480) 2.763 20.053 ( 1.503 2.197 0.244) 2.673 21.556 ( 2.007 0.603 2.145) 2.999 21.613 ( -3.357 0.712 -3.457) 4.871 21.914 ( 1.887 1.068 1.740) 2.780 21.950 ( -1.899 0.927 -1.701) 2.713 22.239 ( 6.278 -1.320 5.503) 8.452 22.339 ( -5.380 -1.445 -4.147) 6.945 ======================= Grid point 163 (82/93) ======================= q-point: (-0.25 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -4.107 -1.301 -2.233) 4.853 1.266 ( 6.029 0.474 -1.967) 6.360 1.523 ( -1.246 -5.783 5.565) 8.122 1.582 ( 0.969 -3.080 -3.340) 4.646 1.867 ( -4.276 0.426 1.542) 4.566 1.927 ( 2.242 5.494 3.578) 6.929 2.060 ( -8.821 1.365 -5.634) 10.555 2.134 ( 1.961 -0.426 -2.568) 3.259 2.333 ( -0.219 1.942 2.893) 3.491 2.369 ( 2.262 4.152 0.020) 4.728 2.586 ( -2.449 0.536 -0.090) 2.509 2.627 ( 2.182 -3.068 -1.746) 4.150 2.850 ( 1.833 -2.685 2.883) 4.345 2.864 ( 1.329 -1.786 -1.324) 2.590 3.107 ( -1.719 0.691 0.711) 1.984 3.170 ( 3.239 1.175 -1.736) 3.858 3.414 ( -7.717 2.404 0.465) 8.096 3.526 ( -0.289 3.095 -4.864) 5.773 3.573 ( -1.369 0.477 -1.854) 2.353 3.603 ( -0.039 -0.193 -1.231) 1.247 3.730 ( -0.173 0.561 2.500) 2.568 3.786 ( 2.422 -0.358 -0.818) 2.582 4.075 ( -7.695 -2.899 -11.405) 14.060 4.117 ( 14.797 -1.161 18.479) 23.702 4.568 ( 0.198 -1.431 7.348) 7.489 4.632 ( 0.162 -1.985 -6.025) 6.345 5.174 ( -3.361 -0.221 -1.115) 3.548 5.215 ( 2.729 0.399 1.733) 3.257 6.114 ( -1.617 0.736 -1.255) 2.175 6.123 ( 0.854 1.054 1.190) 1.804 6.433 ( -2.211 0.169 -2.424) 3.285 6.448 ( 1.947 0.156 1.921) 2.740 6.501 ( -3.690 -0.139 -5.214) 6.390 6.517 ( 3.898 -0.509 4.883) 6.269 6.999 ( -1.226 -0.644 -0.596) 1.507 7.018 ( 1.299 -0.644 0.079) 1.452 7.903 ( -1.919 -0.494 -1.405) 2.429 7.923 ( 1.904 0.009 1.331) 2.323 8.348 ( -6.175 0.277 -7.574) 9.776 8.380 ( 5.794 -0.076 7.169) 9.218 9.221 ( -6.442 0.046 -7.578) 9.946 9.258 ( 6.304 0.045 7.414) 9.732 10.333 ( -5.644 -0.034 -6.425) 8.552 10.370 ( 6.013 0.144 6.755) 9.044 11.324 ( 0.117 -0.523 0.222) 0.580 11.325 ( -0.084 -0.448 -0.357) 0.579 11.914 ( -2.530 0.337 -2.890) 3.856 11.929 ( 2.377 0.316 2.824) 3.705 13.677 ( -1.223 0.032 -1.487) 1.926 13.684 ( 1.206 -0.010 1.470) 1.901 14.126 ( -0.994 0.169 -1.025) 1.438 14.133 ( 0.961 0.151 0.988) 1.386 14.443 ( 0.004 0.140 0.029) 0.143 14.443 ( -0.016 0.144 -0.028) 0.148 19.540 ( -1.053 -0.784 0.282) 1.343 19.562 ( 0.757 -0.999 -1.033) 1.624 19.911 ( -0.461 1.044 1.139) 1.613 19.931 ( 0.724 0.948 -0.995) 1.553 20.016 ( -0.638 0.587 0.302) 0.918 20.029 ( 0.583 1.361 -0.187) 1.492 21.558 ( -2.208 0.565 -1.509) 2.734 21.579 ( 2.096 0.590 1.948) 2.921 21.898 ( -2.386 1.082 -1.248) 2.901 21.926 ( 2.121 1.026 1.104) 2.602 22.298 ( -4.615 -1.876 -3.753) 6.237 22.344 ( 5.072 -0.959 3.701) 6.352 ======================= Grid point 164 (83/93) ======================= q-point: (-0.12 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -2.296 0.909 -6.011) 6.499 1.281 ( 2.093 0.384 -2.227) 3.080 1.488 ( 0.124 6.462 -5.627) 8.570 1.594 ( 2.878 5.168 0.088) 5.916 1.828 ( -11.441 -4.339 -2.421) 12.473 1.872 ( -3.663 2.662 4.836) 6.625 1.944 ( -1.546 1.180 -2.216) 2.949 2.190 ( 2.766 -4.559 -1.138) 5.452 2.317 ( 0.502 3.778 0.349) 3.827 2.394 ( 3.347 -2.970 1.788) 4.819 2.546 ( -6.278 -1.894 -2.024) 6.862 2.713 ( -2.142 -6.250 -1.762) 6.838 2.884 ( 2.572 0.336 0.181) 2.600 2.937 ( -0.056 -3.185 1.552) 3.543 3.097 ( -4.322 -0.636 -5.150) 6.753 3.110 ( -1.124 2.204 -5.360) 5.903 3.285 ( -7.434 4.529 1.622) 8.855 3.371 ( -1.283 0.146 -10.477) 10.556 3.556 ( 5.422 3.231 -0.889) 6.374 3.592 ( -3.641 -1.143 -2.132) 4.371 3.785 ( 1.322 1.222 6.990) 7.219 3.809 ( 1.582 -0.578 1.810) 2.472 4.060 ( 0.587 -1.257 -1.711) 2.203 4.380 ( 17.028 -0.492 19.537) 25.920 4.583 ( -0.371 0.356 0.959) 1.088 4.729 ( 7.356 -2.617 9.317) 12.156 5.128 ( -2.549 1.217 -2.768) 3.955 5.227 ( 2.016 1.561 1.890) 3.174 6.071 ( -2.344 0.849 -2.757) 3.717 6.099 ( -1.852 1.014 -1.893) 2.836 6.404 ( -1.913 -0.552 -2.280) 3.027 6.440 ( -3.760 -0.540 -4.530) 5.912 6.482 ( 1.400 -0.251 1.942) 2.408 6.586 ( 3.313 -0.929 3.867) 5.176 6.990 ( -1.806 -0.524 -1.526) 2.422 7.035 ( 0.318 -0.445 -0.374) 0.663 7.891 ( -1.282 -0.543 -1.474) 2.028 7.946 ( 1.561 0.111 1.795) 2.382 8.241 ( -7.114 0.214 -8.220) 10.872 8.461 ( 4.605 -0.010 5.384) 7.085 9.123 ( -6.045 0.206 -7.189) 9.395 9.344 ( 5.225 0.095 6.146) 8.067 10.262 ( -4.258 -0.206 -5.044) 6.604 10.459 ( 6.061 0.024 7.066) 9.310 11.328 ( -0.293 -0.265 -0.403) 0.564 11.332 ( -0.009 -0.247 0.062) 0.255 11.870 ( -2.495 0.270 -2.943) 3.867 11.957 ( 2.032 0.195 2.348) 3.111 13.660 ( -1.127 -0.075 -1.309) 1.729 13.703 ( 1.116 -0.136 1.351) 1.757 14.110 ( -0.987 0.003 -1.123) 1.495 14.146 ( 0.887 0.014 0.996) 1.334 14.441 ( -0.017 0.029 -0.003) 0.034 14.441 ( 0.010 -0.007 0.003) 0.013 19.520 ( -2.842 -0.576 -2.536) 3.852 19.600 ( 1.354 -1.023 1.004) 1.971 19.905 ( -0.018 -0.163 1.194) 1.205 19.927 ( 1.044 -0.272 -0.045) 1.080 20.004 ( -0.682 0.450 -0.383) 0.902 20.019 ( 0.094 -0.155 -0.235) 0.297 21.526 ( -1.506 0.241 -1.385) 2.060 21.606 ( 2.852 0.464 3.246) 4.346 21.857 ( -1.946 0.344 -1.951) 2.777 21.932 ( 2.145 1.061 1.316) 2.731 22.263 ( -4.680 -1.331 -5.043) 7.008 22.416 ( 3.665 -0.218 4.365) 5.703 ======================= Grid point 169 (84/93) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 5.484 0.000 1.517) 5.690 1.125 ( -16.687 -0.000 -4.168) 17.200 1.183 ( 4.452 0.000 2.045) 4.899 1.397 ( 1.398 0.000 -15.041) 15.106 1.838 ( 5.914 0.000 10.004) 11.621 1.985 ( 1.475 0.000 -0.257) 1.497 2.153 ( 11.939 0.000 7.533) 14.117 2.311 ( -4.697 -0.000 -5.047) 6.895 2.491 ( -0.698 -0.000 9.753) 9.778 2.514 ( 0.134 0.000 6.887) 6.888 2.589 ( 6.285 0.000 0.453) 6.301 2.710 ( 0.170 0.000 -6.543) 6.545 2.846 ( -4.330 -0.000 10.429) 11.293 2.998 ( -2.004 -0.000 3.455) 3.994 3.061 ( 3.759 0.000 -0.086) 3.760 3.151 ( -6.565 -0.000 -2.261) 6.943 3.437 ( 3.387 0.000 -3.330) 4.750 3.491 ( 3.908 0.000 2.164) 4.467 3.520 ( 0.575 0.000 5.009) 5.042 3.637 ( -0.379 -0.000 -2.087) 2.122 3.717 ( 1.966 0.000 -0.170) 1.973 3.720 ( 2.935 0.000 -1.374) 3.240 3.875 ( 7.067 0.000 5.322) 8.846 4.265 ( -27.246 -0.000 -28.168) 39.189 4.482 ( 1.324 0.000 4.933) 5.107 4.622 ( -3.022 -0.000 -8.521) 9.041 5.157 ( 4.082 0.000 1.684) 4.416 5.168 ( -3.851 -0.000 0.415) 3.874 6.127 ( 2.596 0.000 3.430) 4.302 6.149 ( -0.596 -0.000 1.734) 1.833 6.427 ( 4.420 0.000 5.753) 7.255 6.453 ( 1.146 0.000 0.506) 1.253 6.484 ( -0.393 -0.000 -0.536) 0.665 6.564 ( -3.261 -0.000 -5.535) 6.424 6.977 ( 0.956 0.000 0.687) 1.178 6.986 ( -0.005 -0.000 -0.175) 0.175 7.903 ( 1.832 0.000 -0.343) 1.864 7.909 ( -2.199 -0.000 -0.940) 2.391 8.293 ( 5.599 0.000 8.033) 9.792 8.434 ( -4.025 -0.000 -5.481) 6.800 9.160 ( 6.484 0.000 7.667) 10.041 9.311 ( -5.908 -0.000 -6.657) 8.901 10.296 ( 5.279 0.000 5.440) 7.580 10.427 ( -6.459 -0.000 -6.967) 9.500 11.300 ( 0.039 0.000 0.118) 0.124 11.306 ( 0.171 0.000 -0.367) 0.405 11.900 ( 2.676 0.000 3.364) 4.298 11.962 ( -2.147 -0.000 -2.595) 3.368 13.668 ( 1.105 0.000 1.353) 1.747 13.700 ( -1.156 -0.000 -1.626) 1.995 14.126 ( 1.035 0.000 1.195) 1.581 14.151 ( -0.926 -0.000 -1.140) 1.468 14.450 ( 0.071 0.000 0.048) 0.085 14.451 ( -0.068 -0.000 -0.037) 0.078 19.469 ( 2.239 0.000 3.975) 4.563 19.568 ( -0.549 -0.000 -5.227) 5.256 19.921 ( 0.838 0.000 1.649) 1.850 19.958 ( -1.057 -0.000 -1.897) 2.171 20.109 ( -2.466 -0.000 0.456) 2.508 20.112 ( 2.355 0.000 0.141) 2.359 21.570 ( 2.537 0.000 2.262) 3.399 21.629 ( -4.024 -0.000 -3.557) 5.371 21.937 ( 0.428 0.000 1.198) 1.272 21.963 ( -0.986 -0.000 -1.288) 1.622 22.215 ( 8.046 0.000 5.645) 9.829 22.313 ( -6.692 -0.000 -3.879) 7.735 ======================= Grid point 170 (85/93) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -12.916 -5.954 -2.502) 14.441 1.165 ( -2.478 -5.509 10.128) 11.793 1.274 ( 6.641 -1.252 -0.791) 6.804 1.375 ( 2.545 -4.787 -9.420) 10.869 1.902 ( -2.773 1.605 -0.289) 3.217 1.964 ( 4.610 -1.237 -0.103) 4.774 2.173 ( -12.757 1.537 -9.640) 16.063 2.251 ( 2.155 3.168 3.206) 4.996 2.475 ( -2.124 4.343 4.124) 6.354 2.536 ( 4.273 3.388 4.468) 7.050 2.607 ( 0.442 0.931 -0.885) 1.359 2.672 ( 1.840 -0.427 -6.608) 6.873 2.846 ( -0.145 2.384 6.606) 7.024 2.900 ( 1.830 7.798 0.653) 8.036 3.125 ( -1.692 -3.263 5.220) 6.384 3.151 ( 0.664 -1.501 -1.698) 2.361 3.434 ( -0.651 1.252 -2.479) 2.852 3.506 ( 4.608 -2.386 -3.680) 6.362 3.591 ( 1.105 -0.637 6.175) 6.305 3.615 ( -2.612 0.692 -5.780) 6.380 3.702 ( -7.597 -1.431 -4.840) 9.121 3.763 ( 2.862 -2.666 2.287) 4.531 3.942 ( -17.328 -2.365 -17.316) 24.611 4.097 ( 22.965 0.148 22.496) 32.148 4.533 ( 1.958 -0.420 6.727) 7.019 4.567 ( -1.753 -1.075 -6.727) 7.034 5.141 ( -4.547 -0.928 -0.230) 4.647 5.201 ( 2.984 -0.606 1.046) 3.220 6.134 ( -2.162 0.337 -0.841) 2.344 6.154 ( 1.413 0.509 1.590) 2.186 6.453 ( -1.321 0.587 -1.796) 2.305 6.458 ( 0.249 0.217 -0.164) 0.369 6.504 ( -2.719 0.154 -4.840) 5.553 6.510 ( 3.813 -0.025 5.252) 6.491 6.983 ( -0.475 -0.094 -0.563) 0.743 6.995 ( 1.196 -0.564 -0.023) 1.322 7.889 ( -2.152 -0.239 -0.647) 2.260 7.920 ( 2.023 -0.127 0.364) 2.060 8.359 ( -5.227 0.222 -7.116) 8.832 8.379 ( 5.039 0.022 6.939) 8.576 9.219 ( -6.588 -0.105 -7.537) 10.011 9.258 ( 6.354 -0.038 7.493) 9.825 10.336 ( -5.899 0.102 -6.382) 8.691 10.378 ( 6.267 0.189 6.675) 9.158 11.305 ( 0.036 -0.371 0.132) 0.396 11.308 ( 0.142 -0.330 -0.408) 0.543 11.925 ( -2.600 0.186 -3.109) 4.057 11.938 ( 2.404 0.154 3.033) 3.873 13.680 ( -1.195 0.063 -1.578) 1.980 13.685 ( 1.164 0.044 1.493) 1.893 14.134 ( -1.045 0.167 -1.216) 1.612 14.140 ( 0.991 0.139 1.152) 1.526 14.449 ( -0.072 0.127 -0.040) 0.151 14.449 ( 0.055 0.139 0.043) 0.156 19.513 ( 1.249 -0.517 3.346) 3.609 19.533 ( -1.051 -0.451 -5.254) 5.378 19.936 ( 0.252 0.218 0.863) 0.926 19.943 ( 0.133 -0.178 -0.798) 0.828 20.073 ( -2.305 1.667 0.267) 2.857 20.113 ( 2.158 2.042 0.081) 2.972 21.578 ( -3.145 0.357 -2.530) 4.052 21.604 ( 2.931 0.581 3.158) 4.348 21.937 ( -1.883 0.772 -0.776) 2.178 21.949 ( 0.614 0.087 1.066) 1.234 22.240 ( -6.274 -0.874 -4.836) 7.969 22.317 ( 7.937 -0.348 4.634) 9.197 ======================= Grid point 171 (86/93) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -8.101 -5.634 -2.295) 10.131 1.292 ( 3.160 -0.431 -4.990) 5.922 1.374 ( -5.524 -10.863 11.677) 16.878 1.500 ( 5.308 -6.694 0.596) 8.564 1.810 ( -5.428 1.676 -6.970) 8.992 1.890 ( -15.618 0.188 -17.475) 23.438 2.107 ( 4.713 -0.420 3.653) 5.978 2.138 ( -5.386 6.521 2.350) 8.778 2.363 ( -2.186 2.603 -1.456) 3.698 2.507 ( 0.771 5.607 0.779) 5.713 2.588 ( 2.022 0.244 -5.506) 5.871 2.643 ( 0.700 4.825 0.632) 4.916 2.813 ( -0.826 -0.951 -1.038) 1.632 2.880 ( 5.873 1.362 2.524) 6.536 3.127 ( -1.088 1.033 -1.624) 2.211 3.206 ( 1.369 -0.132 3.603) 3.856 3.360 ( -5.882 2.106 -3.058) 6.956 3.437 ( -9.262 1.057 -14.542) 17.273 3.563 ( -0.475 0.347 1.332) 1.456 3.621 ( 0.527 0.563 2.997) 3.095 3.720 ( 3.492 -4.442 -0.733) 5.698 3.842 ( 1.195 0.339 4.827) 4.984 3.904 ( -1.565 -6.689 -3.645) 7.777 4.399 ( 16.979 1.699 17.215) 24.239 4.570 ( 4.561 -1.361 4.565) 6.595 4.629 ( 5.890 -2.132 9.217) 11.144 5.122 ( -4.026 -1.302 -1.025) 4.353 5.238 ( 1.811 -0.585 0.670) 2.018 6.096 ( -2.860 0.486 -2.459) 3.803 6.141 ( -1.397 1.093 -2.064) 2.721 6.411 ( -2.055 0.612 -2.487) 3.284 6.429 ( -3.050 -0.034 -4.415) 5.366 6.481 ( 0.778 0.140 0.576) 0.978 6.571 ( 3.553 0.021 4.502) 5.735 6.973 ( -1.140 -0.265 -1.277) 1.732 7.015 ( 0.952 -0.629 -0.409) 1.212 7.874 ( -1.826 -0.340 -0.426) 1.906 7.945 ( 1.954 -0.201 0.988) 2.199 8.259 ( -6.180 0.652 -8.203) 10.292 8.454 ( 4.112 -0.255 5.401) 6.793 9.125 ( -6.089 -0.103 -7.144) 9.388 9.345 ( 5.237 0.005 6.101) 8.040 10.259 ( -4.516 0.032 -4.875) 6.645 10.465 ( 6.300 0.269 6.892) 9.341 11.313 ( -0.043 -0.473 -0.376) 0.606 11.316 ( 0.078 -0.546 0.074) 0.556 11.880 ( -2.703 0.240 -3.116) 4.132 11.967 ( 1.908 0.290 2.368) 3.055 13.661 ( -1.071 0.081 -1.337) 1.715 13.702 ( 1.067 0.043 1.432) 1.786 14.115 ( -1.020 0.217 -1.148) 1.551 14.151 ( 0.852 0.204 1.006) 1.334 14.445 ( -0.055 0.167 -0.040) 0.181 14.447 ( 0.025 0.213 0.037) 0.218 19.493 ( -2.449 -0.736 -4.440) 5.124 19.562 ( 1.064 -1.000 2.655) 3.030 19.928 ( 0.019 0.209 -0.511) 0.553 19.951 ( 0.907 0.809 1.111) 1.647 20.025 ( -1.626 1.383 -0.046) 2.135 20.079 ( 1.402 3.072 -0.158) 3.381 21.537 ( -2.102 0.349 -1.583) 2.655 21.632 ( 2.761 0.957 3.807) 4.799 21.886 ( -3.170 1.319 -1.701) 3.832 21.966 ( 1.717 0.342 1.768) 2.488 22.191 ( -5.260 -2.050 -5.013) 7.550 22.407 ( 6.630 -0.170 3.485) 7.492 ======================= Grid point 172 (87/93) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -4.855 -2.842 -3.703) 6.735 1.253 ( -4.641 0.522 -5.897) 7.523 1.506 ( -3.292 -2.789 0.362) 4.330 1.580 ( -11.782 -1.347 -11.637) 16.614 1.710 ( 4.260 1.042 3.165) 5.408 1.838 ( -1.721 -10.306 -1.904) 10.621 1.963 ( -6.963 6.175 0.579) 9.325 2.168 ( 6.101 0.726 0.984) 6.222 2.380 ( -1.517 -0.020 -1.952) 2.472 2.396 ( 1.697 1.582 0.843) 2.469 2.531 ( 0.161 3.662 -2.502) 4.438 2.574 ( -4.985 -1.123 -1.959) 5.473 2.870 ( -0.843 -5.225 -1.101) 5.406 2.907 ( 2.698 1.760 -0.180) 3.227 3.061 ( -1.697 2.007 -1.991) 3.297 3.175 ( 0.846 5.488 2.714) 6.181 3.265 ( -8.349 1.606 -1.453) 8.625 3.325 ( 2.021 -0.328 -10.273) 10.476 3.547 ( -1.925 0.578 1.996) 2.833 3.624 ( 1.058 0.794 0.338) 1.365 3.824 ( 4.165 -1.835 -0.166) 4.555 3.858 ( 0.632 0.833 3.880) 4.018 4.010 ( 1.583 -4.601 1.112) 4.992 4.477 ( 1.979 -0.517 -0.327) 2.072 4.687 ( 5.052 -0.322 11.369) 12.445 4.862 ( 16.057 -1.152 17.801) 24.000 5.111 ( -0.011 -0.175 0.396) 0.433 5.261 ( 1.330 -0.175 1.490) 2.005 6.042 ( -3.937 0.757 -4.587) 6.092 6.061 ( -5.561 0.923 -6.772) 8.811 6.381 ( -1.076 0.330 -0.765) 1.361 6.390 ( -1.576 -0.129 -2.116) 2.642 6.496 ( 0.925 -0.358 0.799) 1.274 6.619 ( 2.538 -0.215 2.989) 3.927 6.961 ( -1.174 -0.304 -1.560) 1.976 7.026 ( 0.136 -0.348 -0.718) 0.809 7.866 ( -1.173 -0.434 -0.336) 1.295 7.968 ( 1.450 -0.056 1.137) 1.843 8.150 ( -5.829 0.735 -7.367) 9.423 8.514 ( 2.844 -0.332 3.562) 4.570 9.046 ( -4.516 0.033 -5.360) 7.009 9.410 ( 3.548 0.029 4.057) 5.390 10.206 ( -2.826 -0.098 -3.094) 4.191 10.545 ( 5.094 0.208 5.694) 7.643 11.317 ( -0.169 -0.342 -0.464) 0.601 11.326 ( -0.001 -0.452 0.130) 0.470 11.840 ( -2.171 0.170 -2.459) 3.285 11.986 ( 1.297 0.274 1.560) 2.048 13.645 ( -0.788 0.046 -0.940) 1.228 13.717 ( 0.808 -0.006 1.095) 1.360 14.098 ( -0.770 0.146 -0.855) 1.160 14.158 ( 0.603 0.141 0.708) 0.941 14.442 ( -0.023 0.102 -0.030) 0.109 14.443 ( 0.000 0.171 0.027) 0.173 19.470 ( -2.197 -0.981 -2.673) 3.596 19.597 ( 0.467 -0.871 1.541) 1.831 19.925 ( 0.315 0.897 1.296) 1.607 19.938 ( 0.601 0.731 -0.274) 0.985 20.006 ( -0.427 0.033 -0.101) 0.440 20.032 ( 0.239 2.361 -0.522) 2.430 21.512 ( -1.172 0.193 -0.835) 1.452 21.661 ( 2.700 0.698 4.032) 4.902 21.830 ( -3.090 0.480 -2.387) 3.934 21.976 ( 1.652 1.125 1.310) 2.390 22.169 ( -3.836 -2.313 -3.889) 5.932 22.468 ( 4.250 0.312 2.317) 4.851 ======================= Grid point 178 (88/93) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -15.899 -0.000 2.201) 16.051 1.121 ( -10.188 -0.000 14.635) 17.832 1.278 ( 1.896 0.000 -9.713) 9.897 1.379 ( 12.384 0.000 2.960) 12.732 1.832 ( -4.945 -0.000 -8.575) 9.899 1.902 ( -22.926 -0.000 -20.514) 30.764 2.082 ( 5.837 0.000 7.833) 9.769 2.287 ( -3.026 -0.000 0.545) 3.074 2.486 ( -5.123 -0.000 -0.791) 5.183 2.593 ( -0.868 -0.000 -8.530) 8.574 2.601 ( 0.274 0.000 -11.030) 11.033 2.702 ( 9.538 0.000 9.629) 13.553 2.921 ( -3.375 -0.000 7.336) 8.075 3.013 ( 4.227 0.000 -4.809) 6.403 3.115 ( -1.407 -0.000 7.327) 7.460 3.118 ( 5.152 0.000 -0.087) 5.153 3.463 ( -6.079 -0.000 -8.751) 10.656 3.464 ( 3.067 0.000 -5.068) 5.924 3.559 ( -3.608 -0.000 -8.148) 8.911 3.609 ( -0.493 -0.000 3.350) 3.386 3.626 ( -2.698 -0.000 2.076) 3.404 3.659 ( -4.225 -0.000 0.961) 4.333 3.834 ( -0.586 -0.000 3.047) 3.103 4.465 ( 26.642 0.000 27.526) 38.308 4.513 ( -0.595 -0.000 -4.787) 4.824 4.593 ( 3.554 0.000 8.381) 9.103 5.086 ( -5.300 -0.000 -0.597) 5.333 5.220 ( 2.044 0.000 0.298) 2.066 6.105 ( -3.165 -0.000 -2.554) 4.067 6.164 ( -0.982 -0.000 -1.914) 2.151 6.417 ( -3.285 -0.000 -5.641) 6.527 6.438 ( -1.662 -0.000 -1.238) 2.073 6.485 ( -0.182 -0.000 -0.531) 0.561 6.574 ( 3.826 0.000 4.834) 6.165 6.976 ( -0.270 -0.000 -1.242) 1.270 6.995 ( 0.964 0.000 -0.268) 1.000 7.869 ( -1.885 -0.000 0.130) 1.889 7.938 ( 1.932 0.000 0.575) 2.016 8.274 ( -5.506 -0.000 -7.841) 9.581 8.449 ( 3.686 0.000 5.117) 6.307 9.121 ( -6.286 -0.000 -7.123) 9.500 9.345 ( 5.332 0.000 6.221) 8.194 10.260 ( -4.674 -0.000 -4.873) 6.752 10.472 ( 6.418 0.000 6.794) 9.346 11.302 ( 0.010 0.000 0.135) 0.136 11.304 ( 0.177 0.000 -0.435) 0.469 11.885 ( -2.758 -0.000 -3.372) 4.356 11.973 ( 1.883 0.000 2.418) 3.065 13.663 ( -1.054 -0.000 -1.355) 1.717 13.704 ( 1.040 0.000 1.479) 1.808 14.120 ( -1.031 -0.000 -1.196) 1.580 14.155 ( 0.827 0.000 1.023) 1.316 14.449 ( -0.084 -0.000 -0.040) 0.093 14.451 ( 0.050 0.000 0.036) 0.062 19.480 ( -2.094 -0.000 -6.487) 6.817 19.540 ( 0.919 0.000 3.598) 3.714 19.926 ( -0.291 -0.000 -1.522) 1.550 19.959 ( 1.215 0.000 1.893) 2.250 20.070 ( -2.417 -0.000 0.225) 2.428 20.152 ( 2.203 0.000 -0.106) 2.206 21.545 ( -2.445 -0.000 -1.652) 2.951 21.658 ( 3.299 0.000 3.923) 5.125 21.930 ( -1.122 -0.000 -0.182) 1.136 21.954 ( -0.533 -0.000 1.417) 1.514 22.150 ( -5.927 -0.000 -5.634) 8.178 22.406 ( 7.971 0.000 3.326) 8.637 ======================= Grid point 179 (89/93) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -11.877 -8.805 3.135) 15.114 1.182 ( -13.588 -8.358 17.263) 23.506 1.265 ( 1.724 -0.697 -5.119) 5.446 1.498 ( 3.354 -1.195 0.192) 3.566 1.561 ( -24.005 -2.223 -19.484) 30.996 1.765 ( -0.835 -0.207 -5.949) 6.011 2.171 ( -4.615 6.661 -1.107) 8.179 2.200 ( 5.783 -2.031 4.517) 7.614 2.414 ( 0.364 5.168 -3.898) 6.483 2.488 ( -3.025 -1.120 -11.068) 11.528 2.574 ( -1.748 1.078 -6.503) 6.820 2.775 ( 5.583 3.341 4.718) 8.037 2.883 ( 1.167 5.049 1.400) 5.368 2.977 ( 3.591 3.107 -4.217) 6.351 3.085 ( -1.979 0.762 -1.889) 2.840 3.224 ( 1.889 -2.518 2.380) 3.947 3.294 ( -9.152 1.473 -4.549) 10.325 3.446 ( 3.974 4.024 0.246) 5.661 3.556 ( -1.134 -1.321 0.613) 1.846 3.620 ( -1.050 -4.599 -0.792) 4.783 3.663 ( 1.563 0.210 2.803) 3.216 3.738 ( -1.378 -6.732 0.407) 6.884 3.889 ( 3.420 -1.896 6.844) 7.883 4.487 ( 1.170 0.721 -2.115) 2.522 4.657 ( 2.839 -0.880 8.912) 9.394 4.842 ( 20.460 -0.096 21.413) 29.616 5.066 ( -0.679 -1.489 2.992) 3.410 5.239 ( 1.100 -0.606 -0.271) 1.285 6.056 ( -3.644 0.146 -3.734) 5.220 6.097 ( -6.436 0.685 -9.175) 11.228 6.379 ( -0.636 -0.181 -1.744) 1.865 6.415 ( -1.277 0.770 -0.258) 1.513 6.481 ( -0.205 -0.310 -0.690) 0.784 6.623 ( 2.809 0.226 3.627) 4.593 6.961 ( -0.492 0.414 -1.256) 1.411 7.009 ( 0.972 -0.556 -0.532) 1.239 7.857 ( -1.513 -0.071 0.705) 1.671 7.960 ( 1.718 -0.280 0.740) 1.891 8.181 ( -5.022 0.654 -7.342) 8.919 8.500 ( 2.325 -0.298 3.280) 4.032 9.041 ( -4.655 -0.209 -5.407) 7.138 9.412 ( 3.631 0.068 4.129) 5.499 10.206 ( -3.025 0.020 -2.955) 4.229 10.554 ( 5.230 0.211 5.474) 7.574 11.305 ( 0.140 -0.225 -0.159) 0.309 11.308 ( 0.102 -0.402 0.057) 0.419 11.844 ( -2.501 0.072 -2.891) 3.824 11.996 ( 1.214 0.160 1.562) 1.984 13.648 ( -0.751 0.065 -0.925) 1.193 13.719 ( 0.809 0.055 1.304) 1.536 14.105 ( -0.801 0.142 -0.868) 1.189 14.165 ( 0.561 0.138 0.712) 0.918 14.447 ( -0.068 0.113 -0.028) 0.134 14.450 ( 0.027 0.152 0.020) 0.155 19.433 ( -2.398 -0.677 -4.509) 5.152 19.568 ( 0.249 -0.555 2.963) 3.025 19.922 ( 0.368 -0.283 -1.095) 1.189 19.978 ( 1.077 0.145 1.806) 2.108 20.036 ( -2.201 1.524 0.048) 2.678 20.145 ( 1.750 2.400 -0.401) 2.997 21.519 ( -1.595 0.144 -0.832) 1.804 21.693 ( 2.081 0.802 3.586) 4.222 21.888 ( -2.629 2.749 -0.251) 3.812 21.980 ( 1.279 -1.295 1.807) 2.564 22.088 ( -4.527 -1.506 -5.178) 7.041 22.480 ( 6.685 0.239 1.548) 6.866 ======================= Grid point 180 (90/93) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -9.122 -6.632 2.222) 11.495 1.121 ( -20.818 -2.246 -8.601) 22.637 1.315 ( -7.269 -2.330 -3.023) 8.210 1.476 ( -3.813 -11.257 6.867) 13.727 1.604 ( 1.045 -6.629 0.720) 6.750 1.790 ( 7.120 -0.590 0.874) 7.197 1.999 ( -5.443 5.169 -2.136) 7.804 2.275 ( 0.335 3.757 -10.835) 11.473 2.312 ( 6.479 -1.427 1.061) 6.719 2.451 ( -7.190 2.452 -3.316) 8.289 2.489 ( 5.305 1.064 -1.351) 5.577 2.730 ( 1.212 10.109 4.685) 11.207 2.793 ( 0.820 -1.080 -1.832) 2.279 2.976 ( 3.916 1.523 -1.810) 4.576 3.055 ( -2.710 -1.829 -1.294) 3.516 3.173 ( -7.965 3.191 -0.623) 8.603 3.277 ( 2.514 -1.772 -2.936) 4.252 3.381 ( 2.514 7.281 4.176) 8.762 3.563 ( -0.691 -0.054 1.042) 1.251 3.638 ( -2.411 2.362 0.790) 3.466 3.769 ( 4.505 -8.146 -3.935) 10.106 3.832 ( -0.114 -3.831 0.424) 3.856 3.984 ( 2.657 -1.413 3.985) 4.994 4.486 ( 1.778 0.286 -0.243) 1.817 4.749 ( 2.062 -1.288 9.018) 9.340 4.960 ( -1.715 -1.206 -0.202) 2.106 5.205 ( 7.712 0.693 6.364) 10.023 5.283 ( 6.928 -1.640 7.820) 10.575 5.947 ( -8.525 1.059 -11.794) 14.591 6.010 ( -2.669 -0.125 -2.833) 3.895 6.381 ( 0.478 0.084 0.703) 0.855 6.389 ( -0.831 1.068 0.505) 1.444 6.491 ( 0.703 -0.907 -0.441) 1.230 6.653 ( 1.720 0.390 2.435) 3.007 6.947 ( 0.056 0.125 -0.841) 0.852 7.020 ( 0.528 -0.184 -0.397) 0.686 7.854 ( -0.925 -0.176 0.973) 1.354 7.981 ( 1.073 -0.208 0.388) 1.159 8.096 ( -2.805 1.061 -4.417) 5.339 8.535 ( 0.964 -0.615 1.500) 1.886 8.992 ( -2.338 -0.177 -2.789) 3.644 9.449 ( 1.656 0.046 1.709) 2.380 10.177 ( -1.275 -0.019 -1.062) 1.659 10.607 ( 2.762 0.277 2.748) 3.907 11.310 ( 0.246 -0.224 -0.038) 0.335 11.318 ( 0.067 -0.526 0.243) 0.583 11.814 ( -1.475 -0.044 -1.529) 2.126 12.005 ( 0.477 0.261 0.610) 0.817 13.638 ( -0.333 0.104 -0.386) 0.520 13.728 ( 0.446 0.121 0.830) 0.950 14.093 ( -0.398 0.200 -0.384) 0.588 14.168 ( 0.249 0.186 0.329) 0.452 14.444 ( -0.034 0.147 -0.017) 0.152 14.447 ( 0.001 0.224 0.009) 0.224 19.424 ( -0.762 -1.283 -0.788) 1.687 19.594 ( -0.228 -0.662 2.056) 2.172 19.930 ( 0.908 -0.489 -0.459) 1.128 19.977 ( -0.579 2.492 1.344) 2.890 20.000 ( -0.415 -0.211 0.037) 0.467 20.094 ( 0.886 3.805 -0.791) 3.986 21.504 ( -0.836 0.139 -0.241) 0.881 21.711 ( 1.016 0.442 2.821) 3.031 21.807 ( -3.622 1.885 -1.216) 4.260 22.008 ( 0.376 0.653 0.045) 0.755 22.080 ( -1.210 -2.867 -1.428) 3.423 22.522 ( 4.333 0.788 -0.222) 4.410 ======================= Grid point 187 (91/93) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -13.513 -0.000 9.721) 16.646 1.040 ( -25.592 -0.000 6.191) 26.330 1.164 ( -26.294 -0.000 -0.874) 26.309 1.271 ( 4.089 0.000 -0.796) 4.166 1.580 ( 4.661 0.000 0.166) 4.664 1.744 ( 3.625 0.000 -1.912) 4.099 2.189 ( -7.946 -0.000 -3.056) 8.514 2.236 ( 4.947 0.000 0.300) 4.956 2.375 ( -0.238 -0.000 -9.738) 9.741 2.455 ( 0.647 0.000 -9.241) 9.263 2.598 ( 9.067 0.000 0.019) 9.067 2.866 ( -5.630 -0.000 -0.087) 5.630 2.872 ( 5.218 0.000 -1.992) 5.585 3.019 ( 4.127 0.000 -8.731) 9.657 3.134 ( -0.972 -0.000 -7.859) 7.919 3.183 ( -1.298 -0.000 9.006) 9.099 3.246 ( -2.184 -0.000 -1.407) 2.598 3.457 ( -0.522 -0.000 -2.864) 2.911 3.543 ( -4.051 -0.000 1.093) 4.196 3.567 ( -3.607 -0.000 1.457) 3.891 3.693 ( 0.533 0.000 5.798) 5.823 3.715 ( 5.418 0.000 5.893) 8.005 3.941 ( 5.066 0.000 6.884) 8.548 4.499 ( 2.050 0.000 -0.965) 2.266 4.711 ( 1.827 0.000 8.052) 8.257 4.927 ( -4.373 -0.000 -1.183) 4.530 5.226 ( 16.718 0.000 17.071) 23.893 5.233 ( 0.134 0.000 -1.860) 1.865 5.970 ( -8.564 -0.000 -12.466) 15.124 6.007 ( -3.019 -0.000 -3.538) 4.651 6.382 ( 1.119 0.000 1.322) 1.731 6.416 ( -0.704 -0.000 0.689) 0.985 6.468 ( -0.301 -0.000 -1.127) 1.166 6.664 ( 2.020 0.000 3.145) 3.738 6.961 ( 0.245 0.000 -0.515) 0.570 7.011 ( 1.403 0.000 -0.138) 1.410 7.852 ( -1.123 -0.000 1.586) 1.943 7.973 ( 1.213 0.000 0.316) 1.253 8.120 ( -2.630 -0.000 -4.729) 5.411 8.521 ( 0.667 0.000 1.290) 1.452 8.986 ( -2.344 -0.000 -2.727) 3.596 9.452 ( 1.678 0.000 1.696) 2.386 10.176 ( -1.432 -0.000 -0.957) 1.722 10.613 ( 2.834 0.000 2.602) 3.847 11.305 ( 0.106 0.000 0.356) 0.372 11.306 ( 0.493 0.000 0.101) 0.503 11.813 ( -1.729 -0.000 -1.794) 2.492 12.010 ( 0.420 0.000 0.622) 0.750 13.641 ( -0.305 -0.000 -0.346) 0.462 13.732 ( 0.681 0.000 1.162) 1.347 14.097 ( -0.406 -0.000 -0.360) 0.543 14.172 ( 0.225 0.000 0.329) 0.399 14.447 ( -0.056 -0.000 -0.004) 0.056 14.452 ( 0.014 0.000 -0.007) 0.016 19.394 ( -0.560 -0.000 -0.576) 0.803 19.579 ( -0.282 -0.000 2.944) 2.957 19.919 ( 0.862 0.000 -0.683) 1.100 19.993 ( 0.287 0.000 0.739) 0.793 20.038 ( -1.624 -0.000 1.010) 1.912 20.180 ( 1.497 0.000 -0.783) 1.690 21.507 ( -1.049 -0.000 -0.209) 1.070 21.720 ( -0.497 -0.000 1.463) 1.545 21.944 ( -1.911 -0.000 0.498) 1.974 21.950 ( 0.150 0.000 -0.924) 0.936 22.016 ( -0.928 -0.000 -1.553) 1.809 22.537 ( 5.321 0.000 -0.684) 5.364 ======================= Grid point 188 (92/93) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -10.377 -8.913 10.002) 16.946 0.800 ( -24.594 -3.786 -0.794) 24.896 1.223 ( -11.238 -12.094 21.374) 27.007 1.305 ( 2.388 1.082 1.729) 3.141 1.580 ( 0.465 -1.436 -4.368) 4.622 1.817 ( 6.983 -2.054 0.710) 7.314 2.032 ( -5.579 5.006 -2.276) 7.834 2.273 ( 0.550 4.720 -9.455) 10.582 2.348 ( 5.399 -3.990 2.810) 7.278 2.441 ( 5.222 1.108 -3.320) 6.287 2.624 ( 7.706 4.930 2.457) 9.472 2.788 ( -2.684 3.103 -4.532) 6.113 2.894 ( -0.173 0.495 -1.623) 1.705 2.966 ( 1.814 0.605 -3.935) 4.375 3.035 ( -2.460 4.365 -1.899) 5.358 3.150 ( -0.390 0.602 -2.392) 2.498 3.315 ( -0.487 1.173 6.166) 6.295 3.477 ( -2.747 -0.988 -1.973) 3.524 3.524 ( -1.851 -2.704 0.742) 3.360 3.577 ( -1.192 -6.252 -2.743) 6.931 3.732 ( 2.228 3.841 2.757) 5.227 3.771 ( 1.157 -3.189 3.349) 4.767 4.013 ( 2.862 -0.210 0.747) 2.965 4.513 ( 2.374 0.482 0.482) 2.470 4.778 ( -0.082 -1.258 6.237) 6.363 4.889 ( -4.144 -1.701 -1.921) 4.874 5.214 ( -1.349 -0.117 -3.470) 3.725 5.334 ( -3.984 -0.640 -7.451) 8.474 5.892 ( 3.098 0.559 1.125) 3.343 5.979 ( -0.702 -0.316 -1.096) 1.339 6.396 ( 0.570 0.271 1.210) 1.365 6.406 ( -0.667 0.879 1.230) 1.652 6.479 ( 1.316 -1.024 0.140) 1.673 6.689 ( 1.585 0.695 1.951) 2.608 6.960 ( 1.271 0.694 0.847) 1.677 7.026 ( 1.389 -0.014 0.375) 1.439 7.854 ( -0.614 0.026 2.065) 2.155 7.980 ( 0.064 -0.272 -1.053) 1.090 8.095 ( 1.475 0.631 0.156) 1.612 8.528 ( -0.737 -0.514 -0.363) 0.969 8.973 ( 0.270 -0.174 0.258) 0.412 9.458 ( -0.427 0.068 -0.822) 0.929 10.172 ( 0.233 -0.038 0.922) 0.951 10.627 ( -0.312 0.218 -1.032) 1.100 11.311 ( 0.270 -0.240 0.475) 0.597 11.315 ( 0.579 -0.179 0.489) 0.778 11.801 ( -0.116 -0.093 0.130) 0.197 12.010 ( -0.373 0.142 -0.375) 0.547 13.639 ( 0.195 0.092 0.279) 0.353 13.739 ( 0.360 0.330 0.546) 0.733 14.094 ( 0.053 0.144 0.180) 0.237 14.172 ( -0.116 0.127 -0.086) 0.192 14.446 ( -0.026 0.106 0.015) 0.111 14.451 ( -0.008 0.153 -0.028) 0.156 19.427 ( 4.271 -0.084 4.227) 6.010 19.594 ( -0.617 -0.280 2.614) 2.701 19.929 ( 1.262 -0.348 -0.178) 1.321 19.989 ( -1.291 0.225 -0.573) 1.430 20.024 ( -0.014 1.407 2.224) 2.632 20.159 ( 0.811 2.687 -1.267) 3.079 21.500 ( -0.475 0.043 0.234) 0.531 21.713 ( -1.961 0.053 -0.338) 1.991 21.829 ( -3.873 3.630 -0.936) 5.390 21.973 ( -2.475 -1.961 -3.657) 4.831 22.067 ( 3.681 -1.160 4.595) 6.001 22.559 ( 3.156 0.530 -2.911) 4.326 ======================= Grid point 196 (93/93) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -8.406 -0.000 15.289) 17.447 0.675 ( -7.274 -0.000 17.567) 19.014 1.154 ( -6.567 -0.000 23.402) 24.306 1.359 ( 1.846 0.000 1.707) 2.514 1.490 ( -4.911 -0.000 -4.885) 6.926 1.862 ( 4.916 0.000 0.593) 4.952 2.072 ( 3.077 0.000 4.492) 5.445 2.282 ( 1.103 0.000 -1.011) 1.497 2.438 ( 8.212 0.000 4.816) 9.520 2.444 ( 5.806 0.000 -5.519) 8.010 2.682 ( -3.158 -0.000 -5.403) 6.258 2.839 ( 4.369 0.000 1.025) 4.488 2.843 ( -3.130 -0.000 -7.001) 7.669 2.946 ( 0.536 0.000 -11.239) 11.252 3.100 ( 2.515 0.000 2.172) 3.323 3.205 ( 0.472 0.000 1.288) 1.372 3.244 ( 1.332 0.000 -2.246) 2.612 3.397 ( -3.906 -0.000 5.410) 6.672 3.490 ( -2.407 -0.000 1.796) 3.003 3.525 ( -3.442 -0.000 1.186) 3.640 3.777 ( 1.461 0.000 5.425) 5.618 3.803 ( -0.296 -0.000 -0.664) 0.727 4.011 ( -1.157 -0.000 -3.487) 3.674 4.543 ( 2.515 0.000 0.772) 2.631 4.750 ( -7.098 -0.000 -2.905) 7.670 4.858 ( 0.575 0.000 3.987) 4.028 5.119 ( -18.534 -0.000 -23.906) 30.249 5.172 ( -2.468 -0.000 -5.012) 5.586 5.980 ( 1.589 0.000 1.137) 1.954 5.990 ( 8.319 0.000 6.932) 10.829 6.413 ( 1.373 0.000 1.805) 2.268 6.417 ( -0.661 -0.000 1.597) 1.728 6.486 ( 1.550 0.000 1.441) 2.116 6.716 ( 1.372 0.000 -1.071) 1.741 6.996 ( 2.529 0.000 2.518) 3.569 7.045 ( 1.833 0.000 1.028) 2.102 7.864 ( -0.269 -0.000 2.677) 2.691 7.966 ( -0.388 -0.000 -1.640) 1.685 8.139 ( 4.712 0.000 3.780) 6.041 8.505 ( -1.983 -0.000 -1.825) 2.695 8.995 ( 2.914 0.000 3.360) 4.448 9.434 ( -2.454 -0.000 -3.298) 4.111 10.190 ( 1.766 0.000 2.902) 3.397 10.599 ( -3.199 -0.000 -4.558) 5.569 11.314 ( 0.262 0.000 0.664) 0.714 11.323 ( 0.759 0.000 0.689) 1.025 11.813 ( 1.836 0.000 1.807) 2.576 12.000 ( -1.185 -0.000 -1.291) 1.752 13.647 ( 0.710 0.000 0.935) 1.175 13.748 ( 0.164 0.000 -0.501) 0.527 14.100 ( 0.454 0.000 0.665) 0.805 14.169 ( -0.450 -0.000 -0.490) 0.665 14.447 ( -0.003 -0.000 0.048) 0.048 14.452 ( -0.025 -0.000 -0.062) 0.066 19.539 ( 11.995 0.000 4.838) 12.934 19.601 ( -0.856 -0.000 3.046) 3.164 19.938 ( 1.505 0.000 0.328) 1.540 19.981 ( -0.443 -0.000 -0.145) 0.466 20.050 ( -0.067 -0.000 2.469) 2.470 20.181 ( 0.225 0.000 -1.732) 1.747 21.500 ( 0.010 0.000 0.629) 0.629 21.688 ( -3.303 -0.000 -2.263) 4.004 21.818 ( -5.008 -0.000 -3.835) 6.308 21.903 ( -2.505 -0.000 -0.957) 2.682 22.125 ( 3.982 0.000 7.014) 8.066 22.559 ( 1.003 0.000 -5.171) 5.267 =================== 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 3/21120 10.0 48.741 20.176 37.594 0.000 11.498 0.000 3/21120 20.0 13.362 5.887 11.786 0.000 4.518 0.000 3/21120 30.0 6.586 2.974 6.025 0.000 2.402 0.000 3/21120 40.0 4.278 1.950 4.007 0.000 1.641 0.000 3/21120 50.0 3.206 1.455 3.062 0.000 1.294 0.000 3/21120 60.0 2.600 1.164 2.524 0.000 1.102 0.000 3/21120 70.0 2.210 0.972 2.175 0.000 0.979 0.000 3/21120 80.0 1.935 0.836 1.926 0.000 0.890 0.000 3/21120 90.0 1.729 0.734 1.738 0.000 0.822 0.000 3/21120 100.0 1.567 0.655 1.589 0.000 0.766 0.000 3/21120 110.0 1.436 0.591 1.466 0.000 0.719 0.000 3/21120 120.0 1.328 0.539 1.363 0.000 0.678 0.000 3/21120 130.0 1.235 0.496 1.275 0.000 0.642 0.000 3/21120 140.0 1.155 0.459 1.198 0.000 0.609 0.000 3/21120 150.0 1.086 0.427 1.130 0.000 0.580 0.000 3/21120 160.0 1.024 0.400 1.069 0.000 0.553 0.000 3/21120 170.0 0.969 0.375 1.014 0.000 0.528 0.000 3/21120 180.0 0.920 0.354 0.965 0.000 0.505 0.000 3/21120 190.0 0.875 0.335 0.920 0.000 0.484 0.000 3/21120 200.0 0.835 0.318 0.880 0.000 0.465 0.000 3/21120 210.0 0.798 0.302 0.842 0.000 0.446 0.000 3/21120 220.0 0.764 0.288 0.808 0.000 0.430 0.000 3/21120 230.0 0.733 0.276 0.776 0.000 0.414 0.000 3/21120 240.0 0.705 0.264 0.747 0.000 0.399 0.000 3/21120 250.0 0.678 0.253 0.719 0.000 0.386 0.000 3/21120 260.0 0.654 0.244 0.694 0.000 0.373 0.000 3/21120 270.0 0.631 0.234 0.670 0.000 0.361 0.000 3/21120 280.0 0.609 0.226 0.648 0.000 0.349 0.000 3/21120 290.0 0.590 0.218 0.627 0.000 0.339 0.000 3/21120 300.0 0.571 0.211 0.608 0.000 0.329 0.000 3/21120 310.0 0.553 0.204 0.589 0.000 0.319 0.000 3/21120 320.0 0.537 0.198 0.572 0.000 0.310 0.000 3/21120 330.0 0.521 0.192 0.556 0.000 0.302 0.000 3/21120 340.0 0.507 0.186 0.540 0.000 0.294 0.000 3/21120 350.0 0.493 0.181 0.526 0.000 0.286 0.000 3/21120 360.0 0.480 0.176 0.512 0.000 0.279 0.000 3/21120 370.0 0.467 0.171 0.499 0.000 0.272 0.000 3/21120 380.0 0.455 0.166 0.486 0.000 0.265 0.000 3/21120 390.0 0.444 0.162 0.474 0.000 0.259 0.000 3/21120 400.0 0.433 0.158 0.463 0.000 0.253 0.000 3/21120 410.0 0.423 0.154 0.452 0.000 0.247 0.000 3/21120 420.0 0.413 0.151 0.442 0.000 0.242 0.000 3/21120 430.0 0.404 0.147 0.432 0.000 0.236 0.000 3/21120 440.0 0.395 0.144 0.423 0.000 0.231 0.000 3/21120 450.0 0.387 0.141 0.414 0.000 0.227 0.000 3/21120 460.0 0.379 0.137 0.405 0.000 0.222 0.000 3/21120 470.0 0.371 0.135 0.397 0.000 0.217 0.000 3/21120 480.0 0.363 0.132 0.389 0.000 0.213 0.000 3/21120 490.0 0.356 0.129 0.381 0.000 0.209 0.000 3/21120 500.0 0.349 0.126 0.374 0.000 0.205 0.000 3/21120 510.0 0.342 0.124 0.367 0.000 0.201 0.000 3/21120 520.0 0.336 0.122 0.360 0.000 0.198 0.000 3/21120 530.0 0.330 0.119 0.354 0.000 0.194 0.000 3/21120 540.0 0.324 0.117 0.347 0.000 0.191 0.000 3/21120 550.0 0.318 0.115 0.341 0.000 0.187 0.000 3/21120 560.0 0.313 0.113 0.335 0.000 0.184 0.000 3/21120 570.0 0.307 0.111 0.330 0.000 0.181 0.000 3/21120 580.0 0.302 0.109 0.324 0.000 0.178 0.000 3/21120 590.0 0.297 0.107 0.319 0.000 0.175 0.000 3/21120 600.0 0.292 0.105 0.314 0.000 0.173 0.000 3/21120 610.0 0.288 0.104 0.309 0.000 0.170 0.000 3/21120 620.0 0.283 0.102 0.304 0.000 0.167 0.000 3/21120 630.0 0.279 0.100 0.299 0.000 0.165 0.000 3/21120 640.0 0.274 0.099 0.295 0.000 0.162 0.000 3/21120 650.0 0.270 0.097 0.290 0.000 0.160 0.000 3/21120 660.0 0.266 0.096 0.286 0.000 0.158 0.000 3/21120 670.0 0.262 0.095 0.282 0.000 0.155 0.000 3/21120 680.0 0.259 0.093 0.278 0.000 0.153 0.000 3/21120 690.0 0.255 0.092 0.274 0.000 0.151 0.000 3/21120 700.0 0.251 0.090 0.270 0.000 0.149 0.000 3/21120 710.0 0.248 0.089 0.266 0.000 0.147 0.000 3/21120 720.0 0.245 0.088 0.263 0.000 0.145 0.000 3/21120 730.0 0.241 0.087 0.259 0.000 0.143 0.000 3/21120 740.0 0.238 0.086 0.256 0.000 0.141 0.000 3/21120 750.0 0.235 0.084 0.253 0.000 0.139 0.000 3/21120 760.0 0.232 0.083 0.249 0.000 0.138 0.000 3/21120 770.0 0.229 0.082 0.246 0.000 0.136 0.000 3/21120 780.0 0.226 0.081 0.243 0.000 0.134 0.000 3/21120 790.0 0.223 0.080 0.240 0.000 0.133 0.000 3/21120 800.0 0.221 0.079 0.237 0.000 0.131 0.000 3/21120 810.0 0.218 0.078 0.234 0.000 0.129 0.000 3/21120 820.0 0.215 0.077 0.232 0.000 0.128 0.000 3/21120 830.0 0.213 0.076 0.229 0.000 0.126 0.000 3/21120 840.0 0.210 0.075 0.226 0.000 0.125 0.000 3/21120 850.0 0.208 0.075 0.224 0.000 0.123 0.000 3/21120 860.0 0.206 0.074 0.221 0.000 0.122 0.000 3/21120 870.0 0.203 0.073 0.219 0.000 0.121 0.000 3/21120 880.0 0.201 0.072 0.216 0.000 0.119 0.000 3/21120 890.0 0.199 0.071 0.214 0.000 0.118 0.000 3/21120 900.0 0.197 0.070 0.211 0.000 0.117 0.000 3/21120 910.0 0.194 0.070 0.209 0.000 0.116 0.000 3/21120 920.0 0.192 0.069 0.207 0.000 0.114 0.000 3/21120 930.0 0.190 0.068 0.205 0.000 0.113 0.000 3/21120 940.0 0.188 0.067 0.203 0.000 0.112 0.000 3/21120 950.0 0.186 0.067 0.201 0.000 0.111 0.000 3/21120 960.0 0.185 0.066 0.199 0.000 0.110 0.000 3/21120 970.0 0.183 0.065 0.197 0.000 0.109 0.000 3/21120 980.0 0.181 0.065 0.195 0.000 0.108 0.000 3/21120 990.0 0.179 0.064 0.193 0.000 0.107 0.000 3/21120 1000.0 0.177 0.063 0.191 0.000 0.106 0.000 3/21120 Thermal conductivity related properties were written into "kappa-m885.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:11:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|