----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:34:34]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 18 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.022544063545023 2.899767167104470 3.744846533333329 b -5.022544063545013 2.899767167104470 3.744846533333329 c 0.000000000000005 -5.799534334208949 3.744846533333329 Atomic positions (fractional): *1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 *2 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 *3 Bi 0.92819415217257 0.74857400491964 0.44287277638715 208.980 4 Bi 0.74857400491964 0.44287277638715 0.92819415217257 208.980 5 Bi 0.55712722361285 0.07180584782744 0.25142599508036 208.980 6 Bi 0.44287277638715 0.92819415217257 0.74857400491964 208.980 7 Bi 0.25142599508036 0.55712722361285 0.07180584782744 208.980 8 Bi 0.07180584782744 0.25142599508037 0.55712722361285 208.980 *9 O 0.93194209279703 0.06971804626443 0.30770991443676 15.999 10 O 0.93028195373557 0.69229008556324 0.06805790720297 15.999 *11 O 0.80911609638637 0.47172439921233 0.59955739153441 15.999 12 O 0.69229008556324 0.06805790720297 0.93028195373557 15.999 13 O 0.59955739153441 0.80911609638638 0.47172439921233 15.999 14 O 0.52827560078767 0.40044260846559 0.19088390361363 15.999 15 O 0.47172439921233 0.59955739153441 0.80911609638637 15.999 16 O 0.40044260846559 0.19088390361363 0.52827560078767 15.999 17 O 0.30770991443676 0.93194209279703 0.06971804626443 15.999 18 O 0.19088390361363 0.52827560078767 0.40044260846559 15.999 19 O 0.06971804626443 0.30770991443676 0.93194209279703 15.999 20 O 0.06805790720297 0.93028195373557 0.69229008556324 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.045088127090036 0.000000000000000 0.000000000000000 b -5.022544063545018 8.699301501313419 0.000000000000000 c 0.000000000000000 0.000000000000000 11.234539600000000 Atomic positions (fractional): *1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 1 *2 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 2 3 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 1 4 Er 0.66666666666667 0.33333333333333 0.83333333333333 167.259 > 2 5 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 1 6 Er 0.33333333333333 0.66666666666667 0.16666666666667 167.259 > 2 *7 Bi 0.22164717434612 0.26367420143930 0.70654697782645 208.980 > 3 8 Bi 0.04202702709319 0.77835282565388 0.70654697782645 208.980 > 4 9 Bi 0.26367420143930 0.04202702709319 0.29345302217355 208.980 > 5 10 Bi 0.73632579856070 0.95797297290681 0.70654697782645 208.980 > 6 11 Bi 0.95797297290681 0.22164717434612 0.29345302217355 208.980 > 7 12 Bi 0.77835282565388 0.73632579856070 0.29345302217355 208.980 > 8 13 Bi 0.88831384101278 0.59700753477264 0.03988031115978 208.980 > 3 14 Bi 0.70869369375985 0.11168615898722 0.03988031115978 208.980 > 4 15 Bi 0.93034086810597 0.37536036042652 0.62678635550688 208.980 > 5 16 Bi 0.40299246522736 0.29130630624015 0.03988031115978 208.980 > 6 17 Bi 0.62463963957348 0.55498050767945 0.62678635550688 208.980 > 7 18 Bi 0.44501949232055 0.06965913189403 0.62678635550688 208.980 > 8 19 Bi 0.55498050767945 0.93034086810597 0.37321364449312 208.980 > 3 20 Bi 0.37536036042652 0.44501949232055 0.37321364449312 208.980 > 4 21 Bi 0.59700753477264 0.70869369375985 0.96011968884022 208.980 > 5 22 Bi 0.06965913189403 0.62463963957348 0.37321364449312 208.980 > 6 23 Bi 0.29130630624015 0.88831384101278 0.96011968884022 208.980 > 7 24 Bi 0.11168615898722 0.40299246522736 0.96011968884022 208.980 > 8 *25 O 0.49548540829762 0.12874677006265 0.43645668449941 15.999 > 9 26 O 0.36673863823497 0.49548540829762 0.56354331550059 15.999 > 10 *27 O 0.18231680067534 0.02724190417663 0.62679929571104 15.999 > 11 28 O 0.12874677006265 0.63326136176503 0.56354331550059 15.999 > 12 29 O 0.97275809582337 0.15507489649871 0.62679929571104 15.999 > 13 30 O 0.15507489649871 0.18231680067534 0.37320070428896 15.999 > 14 31 O 0.84492510350129 0.81768319932466 0.62679929571104 15.999 > 15 32 O 0.02724190417663 0.84492510350129 0.37320070428896 15.999 > 16 33 O 0.87125322993735 0.36673863823497 0.43645668449941 15.999 > 17 34 O 0.81768319932466 0.97275809582337 0.37320070428896 15.999 > 18 35 O 0.63326136176503 0.50451459170238 0.43645668449941 15.999 > 19 36 O 0.50451459170238 0.87125322993735 0.56354331550059 15.999 > 20 37 O 0.16215207496429 0.46208010339598 0.76979001783274 15.999 > 9 38 O 0.03340530490164 0.82881874163096 0.89687664883393 15.999 > 10 39 O 0.84898346734200 0.36057523750996 0.96013262904437 15.999 > 11 40 O 0.79541343672931 0.96659469509836 0.89687664883393 15.999 > 12 41 O 0.63942476249004 0.48840822983204 0.96013262904437 15.999 > 13 42 O 0.82174156316537 0.51565013400867 0.70653403762230 15.999 > 14 43 O 0.51159177016796 0.15101653265800 0.96013262904437 15.999 > 15 44 O 0.69390857084330 0.17825843683463 0.70653403762230 15.999 > 16 45 O 0.53791989660402 0.70007197156831 0.76979001783274 15.999 > 17 46 O 0.48434986599133 0.30609142915670 0.70653403762230 15.999 > 18 47 O 0.29992802843169 0.83784792503571 0.76979001783274 15.999 > 19 48 O 0.17118125836904 0.20458656327069 0.89687664883393 15.999 > 20 49 O 0.82881874163096 0.79541343672931 0.10312335116607 15.999 > 9 50 O 0.70007197156831 0.16215207496429 0.23020998216726 15.999 > 10 51 O 0.51565013400867 0.69390857084330 0.29346596237770 15.999 > 11 52 O 0.46208010339598 0.29992802843169 0.23020998216726 15.999 > 12 53 O 0.30609142915670 0.82174156316537 0.29346596237770 15.999 > 13 54 O 0.48840822983204 0.84898346734200 0.03986737095563 15.999 > 14 55 O 0.17825843683463 0.48434986599133 0.29346596237770 15.999 > 15 56 O 0.36057523750996 0.51159177016796 0.03986737095563 15.999 > 16 57 O 0.20458656327069 0.03340530490164 0.10312335116607 15.999 > 17 58 O 0.15101653265800 0.63942476249004 0.03986737095563 15.999 > 18 59 O 0.96659469509836 0.17118125836904 0.10312335116607 15.999 > 19 60 O 0.83784792503571 0.53791989660402 0.23020998216726 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.045088127090036 0.000000000000000 0.000000000000000 b -5.022544063545018 8.699301501313419 0.000000000000000 c 0.000000000000000 0.000000000000000 11.234539600000000 Atomic positions (fractional): *1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 1 *2 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 2 3 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 1 4 Er 0.66666666666667 0.33333333333333 0.83333333333333 167.259 > 2 5 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 1 6 Er 0.33333333333333 0.66666666666667 0.16666666666667 167.259 > 2 *7 Bi 0.22164717434612 0.26367420143930 0.70654697782645 208.980 > 3 8 Bi 0.04202702709319 0.77835282565388 0.70654697782645 208.980 > 4 9 Bi 0.26367420143930 0.04202702709319 0.29345302217355 208.980 > 5 10 Bi 0.73632579856070 0.95797297290681 0.70654697782645 208.980 > 6 11 Bi 0.95797297290681 0.22164717434612 0.29345302217355 208.980 > 7 12 Bi 0.77835282565388 0.73632579856070 0.29345302217355 208.980 > 8 13 Bi 0.88831384101278 0.59700753477264 0.03988031115978 208.980 > 3 14 Bi 0.70869369375985 0.11168615898722 0.03988031115978 208.980 > 4 15 Bi 0.93034086810597 0.37536036042652 0.62678635550688 208.980 > 5 16 Bi 0.40299246522736 0.29130630624015 0.03988031115978 208.980 > 6 17 Bi 0.62463963957348 0.55498050767945 0.62678635550688 208.980 > 7 18 Bi 0.44501949232055 0.06965913189403 0.62678635550688 208.980 > 8 19 Bi 0.55498050767945 0.93034086810597 0.37321364449312 208.980 > 3 20 Bi 0.37536036042652 0.44501949232055 0.37321364449312 208.980 > 4 21 Bi 0.59700753477264 0.70869369375985 0.96011968884022 208.980 > 5 22 Bi 0.06965913189403 0.62463963957348 0.37321364449312 208.980 > 6 23 Bi 0.29130630624015 0.88831384101278 0.96011968884022 208.980 > 7 24 Bi 0.11168615898722 0.40299246522736 0.96011968884022 208.980 > 8 *25 O 0.49548540829762 0.12874677006265 0.43645668449941 15.999 > 9 26 O 0.36673863823497 0.49548540829762 0.56354331550059 15.999 > 10 *27 O 0.18231680067534 0.02724190417663 0.62679929571104 15.999 > 11 28 O 0.12874677006265 0.63326136176503 0.56354331550059 15.999 > 12 29 O 0.97275809582337 0.15507489649871 0.62679929571104 15.999 > 13 30 O 0.15507489649871 0.18231680067534 0.37320070428896 15.999 > 14 31 O 0.84492510350129 0.81768319932466 0.62679929571104 15.999 > 15 32 O 0.02724190417663 0.84492510350129 0.37320070428896 15.999 > 16 33 O 0.87125322993735 0.36673863823497 0.43645668449941 15.999 > 17 34 O 0.81768319932466 0.97275809582337 0.37320070428896 15.999 > 18 35 O 0.63326136176503 0.50451459170238 0.43645668449941 15.999 > 19 36 O 0.50451459170238 0.87125322993735 0.56354331550059 15.999 > 20 37 O 0.16215207496429 0.46208010339598 0.76979001783274 15.999 > 9 38 O 0.03340530490164 0.82881874163096 0.89687664883393 15.999 > 10 39 O 0.84898346734200 0.36057523750996 0.96013262904437 15.999 > 11 40 O 0.79541343672931 0.96659469509836 0.89687664883393 15.999 > 12 41 O 0.63942476249004 0.48840822983204 0.96013262904437 15.999 > 13 42 O 0.82174156316537 0.51565013400867 0.70653403762230 15.999 > 14 43 O 0.51159177016796 0.15101653265800 0.96013262904437 15.999 > 15 44 O 0.69390857084330 0.17825843683463 0.70653403762230 15.999 > 16 45 O 0.53791989660402 0.70007197156831 0.76979001783274 15.999 > 17 46 O 0.48434986599133 0.30609142915670 0.70653403762230 15.999 > 18 47 O 0.29992802843169 0.83784792503571 0.76979001783274 15.999 > 19 48 O 0.17118125836904 0.20458656327069 0.89687664883393 15.999 > 20 49 O 0.82881874163096 0.79541343672931 0.10312335116607 15.999 > 9 50 O 0.70007197156831 0.16215207496429 0.23020998216726 15.999 > 10 51 O 0.51565013400867 0.69390857084330 0.29346596237770 15.999 > 11 52 O 0.46208010339598 0.29992802843169 0.23020998216726 15.999 > 12 53 O 0.30609142915670 0.82174156316537 0.29346596237770 15.999 > 13 54 O 0.48840822983204 0.84898346734200 0.03986737095563 15.999 > 14 55 O 0.17825843683463 0.48434986599133 0.29346596237770 15.999 > 15 56 O 0.36057523750996 0.51159177016796 0.03986737095563 15.999 > 16 57 O 0.20458656327069 0.03340530490164 0.10312335116607 15.999 > 17 58 O 0.15101653265800 0.63942476249004 0.03986737095563 15.999 > 18 59 O 0.96659469509836 0.17118125836904 0.10312335116607 15.999 > 19 60 O 0.83784792503571 0.53791989660402 0.23020998216726 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3538131 -0.0000001 0.0000000 0.0000001 6.3538131 0.0000000 0.0000000 0.0000000 5.7547159 -------------------------- Born effective charges -------------------------- 1 Er 4.6640924 -0.2884782 -0.0000000 0.2884782 4.6640924 -0.0000000 0.0000000 0.0000000 3.2158149 2 Er 3.2852990 -0.0483368 -0.0000000 0.0483368 3.2852990 -0.0000000 0.0000000 0.0000000 5.1413651 3 Bi 5.1089324 -0.2060745 -0.2744197 -0.2276043 3.8943655 0.6155511 -0.5435161 -0.3134621 4.0766337 4 Bi 4.3857957 0.6451074 0.6702928 0.6235777 4.6175023 -0.0701211 0.0002919 0.6274298 4.0766337 5 Bi 4.0102189 -0.4067383 -0.3958731 -0.4282681 4.9930791 -0.5454300 0.5432242 -0.3139677 4.0766337 6 Bi 4.0102189 -0.4067383 -0.3958731 -0.4282681 4.9930791 -0.5454300 0.5432242 -0.3139677 4.0766337 7 Bi 4.3857957 0.6451074 0.6702928 0.6235777 4.6175023 -0.0701211 0.0002919 0.6274298 4.0766337 8 Bi 5.1089324 -0.2060745 -0.2744197 -0.2276043 3.8943655 0.6155511 -0.5435161 -0.3134621 4.0766337 9 O -2.1609729 0.2825097 0.0144740 0.4139409 -2.3746345 0.1540302 -0.0583233 0.4317999 -3.7703098 10 O -2.6227911 -0.1473100 0.1261571 -0.0158789 -1.9128163 -0.0895499 0.4031113 -0.1653905 -3.7703098 11 O -3.4149839 0.0494091 -0.2061139 -0.1727640 -3.7025039 0.0507537 -0.2605466 0.0375211 -1.6991873 12 O -2.0196471 -0.3323465 -0.1406311 -0.2009153 -2.5159603 -0.0644803 -0.3447880 -0.2664094 -3.7703098 13 O -3.6840381 0.0174255 0.0591030 -0.2047477 -3.4334496 -0.2038767 0.0977791 -0.2444005 -1.6991873 14 O -3.5772096 0.2664251 0.1470109 0.0442520 -3.5402781 0.1531231 0.1627675 0.2068794 -1.6991873 15 O -3.5772096 0.2664251 0.1470109 0.0442520 -3.5402781 0.1531231 0.1627675 0.2068794 -1.6991873 16 O -3.6840381 0.0174255 0.0591030 -0.2047477 -3.4334496 -0.2038767 0.0977791 -0.2444005 -1.6991873 17 O -2.0196471 -0.3323465 -0.1406311 -0.2009153 -2.5159603 -0.0644803 -0.3447880 -0.2664094 -3.7703098 18 O -3.4149839 0.0494091 -0.2061139 -0.1727640 -3.7025039 0.0507537 -0.2605466 0.0375211 -1.6991873 19 O -2.6227911 -0.1473100 0.1261571 -0.0158789 -1.9128163 -0.0895499 0.4031113 -0.1653905 -3.7703098 20 O -2.1609729 0.2825097 0.0144740 0.4139409 -2.3746345 0.1540302 -0.0583233 0.4317999 -3.7703098 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 436 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 0.525 Solver_block: 200 / 400 - Time: 0.525 Solver_block: 300 / 400 - Time: 0.526 Solver_block: 400 / 400 - Time: 0.525 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.117 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 180/180 Permutation basis: 7026/7026 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 923 Number of blocks in projector: 436 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 111 Use standard eigh solver. Tree of FC basis block matrices: - (923, 891), data: False |-- (111, 106), data: True |-- (396, 384), data: True |-- (416, 401), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:34:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:34:46]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.022544063545023 2.899767167104470 3.744846533333329 b -5.022544063545013 2.899767167104470 3.744846533333329 c 0.000000000000005 -5.799534334208949 3.744846533333329 Atomic positions (fractional): 1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 2 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 3 Bi 0.92819415217257 0.74857400491964 0.44287277638715 208.980 4 Bi 0.74857400491964 0.44287277638715 0.92819415217257 208.980 5 Bi 0.55712722361285 0.07180584782744 0.25142599508036 208.980 6 Bi 0.44287277638715 0.92819415217257 0.74857400491964 208.980 7 Bi 0.25142599508036 0.55712722361285 0.07180584782744 208.980 8 Bi 0.07180584782744 0.25142599508037 0.55712722361285 208.980 9 O 0.93194209279703 0.06971804626443 0.30770991443676 15.999 10 O 0.93028195373557 0.69229008556324 0.06805790720297 15.999 11 O 0.80911609638637 0.47172439921233 0.59955739153441 15.999 12 O 0.69229008556324 0.06805790720297 0.93028195373557 15.999 13 O 0.59955739153441 0.80911609638638 0.47172439921233 15.999 14 O 0.52827560078767 0.40044260846559 0.19088390361363 15.999 15 O 0.47172439921233 0.59955739153441 0.80911609638637 15.999 16 O 0.40044260846559 0.19088390361363 0.52827560078767 15.999 17 O 0.30770991443676 0.93194209279703 0.06971804626443 15.999 18 O 0.19088390361363 0.52827560078767 0.40044260846559 15.999 19 O 0.06971804626443 0.30770991443676 0.93194209279703 15.999 20 O 0.06805790720297 0.93028195373557 0.69229008556324 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.045088127090036 0.000000000000000 0.000000000000000 b -5.022544063545018 8.699301501313419 0.000000000000000 c 0.000000000000000 0.000000000000000 11.234539600000000 Atomic positions (fractional): 1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 1 2 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 2 3 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 1 4 Er 0.66666666666667 0.33333333333333 0.83333333333333 167.259 > 2 5 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 1 6 Er 0.33333333333333 0.66666666666667 0.16666666666667 167.259 > 2 7 Bi 0.22164717434612 0.26367420143930 0.70654697782645 208.980 > 7 8 Bi 0.04202702709319 0.77835282565388 0.70654697782645 208.980 > 8 9 Bi 0.26367420143930 0.04202702709319 0.29345302217355 208.980 > 9 10 Bi 0.73632579856070 0.95797297290681 0.70654697782645 208.980 > 10 11 Bi 0.95797297290681 0.22164717434612 0.29345302217355 208.980 > 11 12 Bi 0.77835282565388 0.73632579856070 0.29345302217355 208.980 > 12 13 Bi 0.88831384101278 0.59700753477264 0.03988031115978 208.980 > 7 14 Bi 0.70869369375985 0.11168615898722 0.03988031115978 208.980 > 8 15 Bi 0.93034086810597 0.37536036042652 0.62678635550688 208.980 > 9 16 Bi 0.40299246522736 0.29130630624015 0.03988031115978 208.980 > 10 17 Bi 0.62463963957348 0.55498050767945 0.62678635550688 208.980 > 11 18 Bi 0.44501949232055 0.06965913189403 0.62678635550688 208.980 > 12 19 Bi 0.55498050767945 0.93034086810597 0.37321364449312 208.980 > 7 20 Bi 0.37536036042652 0.44501949232055 0.37321364449312 208.980 > 8 21 Bi 0.59700753477264 0.70869369375985 0.96011968884022 208.980 > 9 22 Bi 0.06965913189403 0.62463963957348 0.37321364449312 208.980 > 10 23 Bi 0.29130630624015 0.88831384101278 0.96011968884022 208.980 > 11 24 Bi 0.11168615898722 0.40299246522736 0.96011968884022 208.980 > 12 25 O 0.49548540829762 0.12874677006265 0.43645668449941 15.999 > 25 26 O 0.36673863823497 0.49548540829762 0.56354331550059 15.999 > 26 27 O 0.18231680067534 0.02724190417663 0.62679929571104 15.999 > 27 28 O 0.12874677006265 0.63326136176503 0.56354331550059 15.999 > 28 29 O 0.97275809582337 0.15507489649871 0.62679929571104 15.999 > 29 30 O 0.15507489649871 0.18231680067534 0.37320070428896 15.999 > 30 31 O 0.84492510350129 0.81768319932466 0.62679929571104 15.999 > 31 32 O 0.02724190417663 0.84492510350129 0.37320070428896 15.999 > 32 33 O 0.87125322993735 0.36673863823497 0.43645668449941 15.999 > 33 34 O 0.81768319932466 0.97275809582337 0.37320070428896 15.999 > 34 35 O 0.63326136176503 0.50451459170238 0.43645668449941 15.999 > 35 36 O 0.50451459170238 0.87125322993735 0.56354331550059 15.999 > 36 37 O 0.16215207496429 0.46208010339598 0.76979001783274 15.999 > 25 38 O 0.03340530490164 0.82881874163096 0.89687664883393 15.999 > 26 39 O 0.84898346734200 0.36057523750996 0.96013262904437 15.999 > 27 40 O 0.79541343672931 0.96659469509836 0.89687664883393 15.999 > 28 41 O 0.63942476249004 0.48840822983204 0.96013262904437 15.999 > 29 42 O 0.82174156316537 0.51565013400867 0.70653403762230 15.999 > 30 43 O 0.51159177016796 0.15101653265800 0.96013262904437 15.999 > 31 44 O 0.69390857084330 0.17825843683463 0.70653403762230 15.999 > 32 45 O 0.53791989660402 0.70007197156831 0.76979001783274 15.999 > 33 46 O 0.48434986599133 0.30609142915670 0.70653403762230 15.999 > 34 47 O 0.29992802843169 0.83784792503571 0.76979001783274 15.999 > 35 48 O 0.17118125836904 0.20458656327069 0.89687664883393 15.999 > 36 49 O 0.82881874163096 0.79541343672931 0.10312335116607 15.999 > 25 50 O 0.70007197156831 0.16215207496429 0.23020998216726 15.999 > 26 51 O 0.51565013400867 0.69390857084330 0.29346596237770 15.999 > 27 52 O 0.46208010339598 0.29992802843169 0.23020998216726 15.999 > 28 53 O 0.30609142915670 0.82174156316537 0.29346596237770 15.999 > 29 54 O 0.48840822983204 0.84898346734200 0.03986737095563 15.999 > 30 55 O 0.17825843683463 0.48434986599133 0.29346596237770 15.999 > 31 56 O 0.36057523750996 0.51159177016796 0.03986737095563 15.999 > 32 57 O 0.20458656327069 0.03340530490164 0.10312335116607 15.999 > 33 58 O 0.15101653265800 0.63942476249004 0.03986737095563 15.999 > 34 59 O 0.96659469509836 0.17118125836904 0.10312335116607 15.999 > 35 60 O 0.83784792503571 0.53791989660402 0.23020998216726 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3538131 -0.0000001 0.0000000 0.0000001 6.3538131 0.0000000 0.0000000 0.0000000 5.7547159 -------------------------- Born effective charges -------------------------- 1 Er 4.6640924 -0.2884782 -0.0000000 0.2884782 4.6640924 -0.0000000 0.0000000 0.0000000 3.2158149 2 Er 3.2852990 -0.0483368 -0.0000000 0.0483368 3.2852990 -0.0000000 0.0000000 0.0000000 5.1413651 3 Bi 5.1089324 -0.2060745 -0.2744197 -0.2276043 3.8943655 0.6155511 -0.5435161 -0.3134621 4.0766337 4 Bi 4.3857957 0.6451074 0.6702928 0.6235777 4.6175023 -0.0701211 0.0002919 0.6274298 4.0766337 5 Bi 4.0102189 -0.4067383 -0.3958731 -0.4282681 4.9930791 -0.5454300 0.5432242 -0.3139677 4.0766337 6 Bi 4.0102189 -0.4067383 -0.3958731 -0.4282681 4.9930791 -0.5454300 0.5432242 -0.3139677 4.0766337 7 Bi 4.3857957 0.6451074 0.6702928 0.6235777 4.6175023 -0.0701211 0.0002919 0.6274298 4.0766337 8 Bi 5.1089324 -0.2060745 -0.2744197 -0.2276043 3.8943655 0.6155511 -0.5435161 -0.3134621 4.0766337 9 O -2.1609729 0.2825097 0.0144740 0.4139409 -2.3746345 0.1540302 -0.0583233 0.4317999 -3.7703098 10 O -2.6227911 -0.1473100 0.1261571 -0.0158789 -1.9128163 -0.0895499 0.4031113 -0.1653905 -3.7703098 11 O -3.4149839 0.0494091 -0.2061139 -0.1727640 -3.7025039 0.0507537 -0.2605466 0.0375211 -1.6991873 12 O -2.0196471 -0.3323465 -0.1406311 -0.2009153 -2.5159603 -0.0644803 -0.3447880 -0.2664094 -3.7703098 13 O -3.6840381 0.0174255 0.0591030 -0.2047477 -3.4334496 -0.2038767 0.0977791 -0.2444005 -1.6991873 14 O -3.5772096 0.2664251 0.1470109 0.0442520 -3.5402781 0.1531231 0.1627675 0.2068794 -1.6991873 15 O -3.5772096 0.2664251 0.1470109 0.0442520 -3.5402781 0.1531231 0.1627675 0.2068794 -1.6991873 16 O -3.6840381 0.0174255 0.0591030 -0.2047477 -3.4334496 -0.2038767 0.0977791 -0.2444005 -1.6991873 17 O -2.0196471 -0.3323465 -0.1406311 -0.2009153 -2.5159603 -0.0644803 -0.3447880 -0.2664094 -3.7703098 18 O -3.4149839 0.0494091 -0.2061139 -0.1727640 -3.7025039 0.0507537 -0.2605466 0.0375211 -1.6991873 19 O -2.6227911 -0.1473100 0.1261571 -0.0158789 -1.9128163 -0.0895499 0.4031113 -0.1653905 -3.7703098 20 O -2.1609729 0.2825097 0.0144740 0.4139409 -2.3746345 0.1540302 -0.0583233 0.4317999 -3.7703098 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 2, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:34:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:34:53]------------------------- 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 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.022544063545023 2.899767167104470 3.744846533333329 b -5.022544063545013 2.899767167104470 3.744846533333329 c 0.000000000000005 -5.799534334208949 3.744846533333329 Atomic positions (fractional): 1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 2 Er 0.50000000000000 0.50000000000000 0.50000000000000 167.259 3 Bi 0.92819415217257 0.74857400491964 0.44287277638715 208.980 4 Bi 0.74857400491964 0.44287277638715 0.92819415217257 208.980 5 Bi 0.55712722361285 0.07180584782744 0.25142599508036 208.980 6 Bi 0.44287277638715 0.92819415217257 0.74857400491964 208.980 7 Bi 0.25142599508036 0.55712722361285 0.07180584782744 208.980 8 Bi 0.07180584782744 0.25142599508037 0.55712722361285 208.980 9 O 0.93194209279703 0.06971804626443 0.30770991443676 15.999 10 O 0.93028195373557 0.69229008556324 0.06805790720297 15.999 11 O 0.80911609638637 0.47172439921233 0.59955739153441 15.999 12 O 0.69229008556324 0.06805790720297 0.93028195373557 15.999 13 O 0.59955739153441 0.80911609638638 0.47172439921233 15.999 14 O 0.52827560078767 0.40044260846559 0.19088390361363 15.999 15 O 0.47172439921233 0.59955739153441 0.80911609638637 15.999 16 O 0.40044260846559 0.19088390361363 0.52827560078767 15.999 17 O 0.30770991443676 0.93194209279703 0.06971804626443 15.999 18 O 0.19088390361363 0.52827560078767 0.40044260846559 15.999 19 O 0.06971804626443 0.30770991443676 0.93194209279703 15.999 20 O 0.06805790720297 0.93028195373557 0.69229008556324 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.045088127090036 0.000000000000000 0.000000000000000 b -5.022544063545018 8.699301501313419 0.000000000000000 c 0.000000000000000 0.000000000000000 11.234539600000000 Atomic positions (fractional): 1 Er 0.00000000000000 0.00000000000000 0.00000000000000 167.259 > 1 2 Er 0.00000000000000 0.00000000000000 0.50000000000000 167.259 > 2 3 Er 0.66666666666667 0.33333333333333 0.33333333333333 167.259 > 1 4 Er 0.66666666666667 0.33333333333333 0.83333333333333 167.259 > 2 5 Er 0.33333333333333 0.66666666666667 0.66666666666667 167.259 > 1 6 Er 0.33333333333333 0.66666666666667 0.16666666666667 167.259 > 2 7 Bi 0.22164717434612 0.26367420143930 0.70654697782645 208.980 > 7 8 Bi 0.04202702709319 0.77835282565388 0.70654697782645 208.980 > 8 9 Bi 0.26367420143930 0.04202702709319 0.29345302217355 208.980 > 9 10 Bi 0.73632579856070 0.95797297290681 0.70654697782645 208.980 > 10 11 Bi 0.95797297290681 0.22164717434612 0.29345302217355 208.980 > 11 12 Bi 0.77835282565388 0.73632579856070 0.29345302217355 208.980 > 12 13 Bi 0.88831384101278 0.59700753477264 0.03988031115978 208.980 > 7 14 Bi 0.70869369375985 0.11168615898722 0.03988031115978 208.980 > 8 15 Bi 0.93034086810597 0.37536036042652 0.62678635550688 208.980 > 9 16 Bi 0.40299246522736 0.29130630624015 0.03988031115978 208.980 > 10 17 Bi 0.62463963957348 0.55498050767945 0.62678635550688 208.980 > 11 18 Bi 0.44501949232055 0.06965913189403 0.62678635550688 208.980 > 12 19 Bi 0.55498050767945 0.93034086810597 0.37321364449312 208.980 > 7 20 Bi 0.37536036042652 0.44501949232055 0.37321364449312 208.980 > 8 21 Bi 0.59700753477264 0.70869369375985 0.96011968884022 208.980 > 9 22 Bi 0.06965913189403 0.62463963957348 0.37321364449312 208.980 > 10 23 Bi 0.29130630624015 0.88831384101278 0.96011968884022 208.980 > 11 24 Bi 0.11168615898722 0.40299246522736 0.96011968884022 208.980 > 12 25 O 0.49548540829762 0.12874677006265 0.43645668449941 15.999 > 25 26 O 0.36673863823497 0.49548540829762 0.56354331550059 15.999 > 26 27 O 0.18231680067534 0.02724190417663 0.62679929571104 15.999 > 27 28 O 0.12874677006265 0.63326136176503 0.56354331550059 15.999 > 28 29 O 0.97275809582337 0.15507489649871 0.62679929571104 15.999 > 29 30 O 0.15507489649871 0.18231680067534 0.37320070428896 15.999 > 30 31 O 0.84492510350129 0.81768319932466 0.62679929571104 15.999 > 31 32 O 0.02724190417663 0.84492510350129 0.37320070428896 15.999 > 32 33 O 0.87125322993735 0.36673863823497 0.43645668449941 15.999 > 33 34 O 0.81768319932466 0.97275809582337 0.37320070428896 15.999 > 34 35 O 0.63326136176503 0.50451459170238 0.43645668449941 15.999 > 35 36 O 0.50451459170238 0.87125322993735 0.56354331550059 15.999 > 36 37 O 0.16215207496429 0.46208010339598 0.76979001783274 15.999 > 25 38 O 0.03340530490164 0.82881874163096 0.89687664883393 15.999 > 26 39 O 0.84898346734200 0.36057523750996 0.96013262904437 15.999 > 27 40 O 0.79541343672931 0.96659469509836 0.89687664883393 15.999 > 28 41 O 0.63942476249004 0.48840822983204 0.96013262904437 15.999 > 29 42 O 0.82174156316537 0.51565013400867 0.70653403762230 15.999 > 30 43 O 0.51159177016796 0.15101653265800 0.96013262904437 15.999 > 31 44 O 0.69390857084330 0.17825843683463 0.70653403762230 15.999 > 32 45 O 0.53791989660402 0.70007197156831 0.76979001783274 15.999 > 33 46 O 0.48434986599133 0.30609142915670 0.70653403762230 15.999 > 34 47 O 0.29992802843169 0.83784792503571 0.76979001783274 15.999 > 35 48 O 0.17118125836904 0.20458656327069 0.89687664883393 15.999 > 36 49 O 0.82881874163096 0.79541343672931 0.10312335116607 15.999 > 25 50 O 0.70007197156831 0.16215207496429 0.23020998216726 15.999 > 26 51 O 0.51565013400867 0.69390857084330 0.29346596237770 15.999 > 27 52 O 0.46208010339598 0.29992802843169 0.23020998216726 15.999 > 28 53 O 0.30609142915670 0.82174156316537 0.29346596237770 15.999 > 29 54 O 0.48840822983204 0.84898346734200 0.03986737095563 15.999 > 30 55 O 0.17825843683463 0.48434986599133 0.29346596237770 15.999 > 31 56 O 0.36057523750996 0.51159177016796 0.03986737095563 15.999 > 32 57 O 0.20458656327069 0.03340530490164 0.10312335116607 15.999 > 33 58 O 0.15101653265800 0.63942476249004 0.03986737095563 15.999 > 34 59 O 0.96659469509836 0.17118125836904 0.10312335116607 15.999 > 35 60 O 0.83784792503571 0.53791989660402 0.23020998216726 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.3538131 -0.0000001 0.0000000 0.0000001 6.3538131 0.0000000 0.0000000 0.0000000 5.7547159 -------------------------- Born effective charges -------------------------- 1 Er 4.6640924 -0.2884782 -0.0000000 0.2884782 4.6640924 -0.0000000 0.0000000 0.0000000 3.2158149 2 Er 3.2852990 -0.0483368 -0.0000000 0.0483368 3.2852990 -0.0000000 0.0000000 0.0000000 5.1413651 3 Bi 5.1089324 -0.2060745 -0.2744197 -0.2276043 3.8943655 0.6155511 -0.5435161 -0.3134621 4.0766337 4 Bi 4.3857957 0.6451074 0.6702928 0.6235777 4.6175023 -0.0701211 0.0002919 0.6274298 4.0766337 5 Bi 4.0102189 -0.4067383 -0.3958731 -0.4282681 4.9930791 -0.5454300 0.5432242 -0.3139677 4.0766337 6 Bi 4.0102189 -0.4067383 -0.3958731 -0.4282681 4.9930791 -0.5454300 0.5432242 -0.3139677 4.0766337 7 Bi 4.3857957 0.6451074 0.6702928 0.6235777 4.6175023 -0.0701211 0.0002919 0.6274298 4.0766337 8 Bi 5.1089324 -0.2060745 -0.2744197 -0.2276043 3.8943655 0.6155511 -0.5435161 -0.3134621 4.0766337 9 O -2.1609729 0.2825097 0.0144740 0.4139409 -2.3746345 0.1540302 -0.0583233 0.4317999 -3.7703098 10 O -2.6227911 -0.1473100 0.1261571 -0.0158789 -1.9128163 -0.0895499 0.4031113 -0.1653905 -3.7703098 11 O -3.4149839 0.0494091 -0.2061139 -0.1727640 -3.7025039 0.0507537 -0.2605466 0.0375211 -1.6991873 12 O -2.0196471 -0.3323465 -0.1406311 -0.2009153 -2.5159603 -0.0644803 -0.3447880 -0.2664094 -3.7703098 13 O -3.6840381 0.0174255 0.0591030 -0.2047477 -3.4334496 -0.2038767 0.0977791 -0.2444005 -1.6991873 14 O -3.5772096 0.2664251 0.1470109 0.0442520 -3.5402781 0.1531231 0.1627675 0.2068794 -1.6991873 15 O -3.5772096 0.2664251 0.1470109 0.0442520 -3.5402781 0.1531231 0.1627675 0.2068794 -1.6991873 16 O -3.6840381 0.0174255 0.0591030 -0.2047477 -3.4334496 -0.2038767 0.0977791 -0.2444005 -1.6991873 17 O -2.0196471 -0.3323465 -0.1406311 -0.2009153 -2.5159603 -0.0644803 -0.3447880 -0.2664094 -3.7703098 18 O -3.4149839 0.0494091 -0.2061139 -0.1727640 -3.7025039 0.0507537 -0.2605466 0.0375211 -1.6991873 19 O -2.6227911 -0.1473100 0.1261571 -0.0158789 -1.9128163 -0.0895499 0.4031113 -0.1653905 -3.7703098 20 O -2.1609729 0.2825097 0.0144740 0.4139409 -2.3746345 0.1540302 -0.0583233 0.4317999 -3.7703098 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (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 ... [ 7 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 299, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 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 1.453 ( 0.000 0.000 0.000) 0.000 1.453 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 0.000) 0.000 7.952 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.330 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 10.130 ( 0.000 0.000 0.000) 0.000 10.331 ( 0.000 0.000 0.000) 0.000 10.331 ( 0.000 0.000 0.000) 0.000 11.800 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 11.920 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 13.584 ( 0.000 0.000 0.000) 0.000 15.227 ( 0.000 0.000 0.000) 0.000 15.227 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.000 0.000) 0.000 15.408 ( 0.000 0.000 0.000) 0.000 16.024 ( 0.000 0.000 0.000) 0.000 17.185 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( 9.057 1.902 5.949) 11.002 0.311 ( 11.899 1.794 11.026) 16.321 0.720 ( 24.947 17.827 13.800) 33.624 1.459 ( 0.282 -4.524 0.940) 4.629 1.556 ( -2.346 4.090 -0.853) 4.791 1.738 ( -0.253 0.529 2.140) 2.219 1.975 ( -0.042 -2.360 -14.930) 15.115 2.189 ( -1.436 -6.103 -4.434) 7.679 2.300 ( -2.890 -2.156 -2.976) 4.675 2.351 ( -0.107 7.194 -3.837) 8.154 2.400 ( 1.389 2.265 -17.070) 17.276 2.517 ( 10.929 0.450 -1.780) 11.082 2.603 ( -2.680 -4.664 4.973) 7.326 3.120 ( -13.109 -2.717 -9.240) 16.267 3.444 ( -0.160 7.930 11.530) 13.995 3.451 ( 6.237 -4.222 17.322) 18.889 3.634 ( 0.569 4.728 4.149) 6.316 3.686 ( -1.383 -5.928 -5.896) 8.475 3.930 ( -5.819 -4.998 -6.480) 10.041 4.010 ( -4.852 -0.055 -0.095) 4.853 4.258 ( -1.226 3.609 -11.509) 12.124 4.451 ( 3.301 -6.563 2.495) 7.759 4.464 ( 10.546 -1.824 -10.192) 14.780 4.671 ( 6.033 9.545 3.539) 11.834 5.346 ( -8.128 1.610 -6.754) 10.690 5.446 ( -10.850 -9.557 1.412) 14.528 5.571 ( -0.398 -2.797 -1.670) 3.282 5.669 ( 9.328 -0.753 -17.005) 19.410 5.837 ( -3.019 9.032 0.904) 9.566 6.024 ( -3.364 10.599 6.524) 12.892 6.118 ( 5.199 -3.073 -1.517) 6.227 6.260 ( 7.619 -6.104 -11.565) 15.135 6.901 ( -12.940 -9.452 8.974) 18.365 7.216 ( -13.044 -2.547 -4.643) 14.078 7.374 ( 4.781 -8.235 -5.203) 10.851 7.431 ( -2.345 4.782 -3.934) 6.621 7.570 ( 8.746 11.892 9.657) 17.640 7.910 ( 3.175 0.167 -6.733) 7.446 8.091 ( -6.661 -3.429 6.418) 9.865 8.137 ( -0.731 3.249 2.292) 4.043 8.686 ( 15.196 5.676 -8.600) 18.360 9.179 ( 6.039 -3.135 0.850) 6.857 9.380 ( 2.247 3.758 1.019) 4.496 9.740 ( 9.272 5.287 6.019) 12.254 10.070 ( -7.700 -4.076 1.364) 8.819 10.248 ( -2.902 -6.859 -2.477) 7.849 10.291 ( -3.855 -0.501 -0.775) 3.964 10.830 ( 43.451 29.735 -63.168) 82.234 11.924 ( 2.210 -0.437 -1.449) 2.678 11.980 ( 3.325 1.732 7.640) 8.510 12.573 ( 13.180 12.433 -28.158) 33.484 12.924 ( -3.516 -0.362 -1.055) 3.689 12.945 ( 0.950 -2.664 -1.107) 3.037 14.904 ( -18.720 -19.211 19.306) 33.049 15.054 ( -21.778 4.686 12.376) 25.483 15.405 ( -0.578 -3.175 2.310) 3.969 15.447 ( 0.973 -4.633 2.647) 5.424 16.135 ( 8.499 3.910 0.701) 9.381 16.260 ( -27.796 -16.130 30.773) 44.495 17.326 ( 1.895 1.104 15.718) 15.870 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 7.430 4.706 7.541) 11.585 0.649 ( 12.600 3.604 10.433) 16.752 1.239 ( 8.256 3.215 1.339) 8.960 1.346 ( -2.761 4.892 -14.604) 15.648 1.500 ( 6.353 -1.475 4.138) 7.724 1.761 ( -1.886 0.512 -1.966) 2.771 1.889 ( 4.006 -2.939 0.080) 4.969 2.018 ( -5.573 -6.185 -5.907) 10.208 2.221 ( -3.219 0.844 -0.650) 3.391 2.289 ( 4.938 -1.980 -7.463) 9.166 2.440 ( 3.273 12.317 0.741) 12.766 2.597 ( -0.175 -3.972 2.377) 4.632 2.645 ( 7.925 0.020 -0.698) 7.955 2.810 ( -9.523 -6.238 -5.827) 12.789 3.343 ( -8.649 -3.492 -11.400) 14.730 3.472 ( -14.009 -6.805 -5.466) 16.505 3.565 ( 2.586 1.690 2.399) 3.911 3.792 ( 1.601 -2.929 6.052) 6.912 3.918 ( -2.146 8.152 4.474) 9.543 4.028 ( 1.586 -5.667 -1.212) 6.008 4.084 ( -4.669 7.822 2.098) 9.348 4.449 ( 8.566 -5.148 -8.820) 13.329 4.518 ( 5.112 0.545 2.746) 5.829 4.871 ( 7.090 2.043 2.018) 7.650 5.121 ( -8.958 -3.364 -0.969) 9.617 5.322 ( -5.694 -5.014 3.919) 8.539 5.471 ( -6.025 0.629 -16.370) 17.455 5.559 ( 5.780 -2.078 -2.412) 6.599 5.900 ( -2.775 5.152 4.699) 7.505 6.015 ( -11.245 2.530 3.443) 12.029 6.061 ( -1.052 -8.121 -3.815) 9.034 6.241 ( 4.847 -4.480 -1.094) 6.690 6.772 ( -15.789 -5.698 9.046) 19.068 6.956 ( -5.252 3.322 -10.678) 12.355 7.318 ( 1.576 -8.213 -0.608) 8.385 7.384 ( 2.052 4.404 -6.417) 8.049 7.877 ( 8.777 6.018 -2.730) 10.987 7.938 ( 3.190 5.999 5.087) 8.487 8.069 ( -4.538 -3.880 9.428) 11.160 8.195 ( 2.680 5.766 -2.337) 6.774 8.787 ( 7.496 1.040 -4.359) 8.733 9.257 ( 9.008 0.573 -4.283) 9.991 9.447 ( 1.677 3.929 -1.388) 4.492 9.891 ( -12.278 -8.517 4.322) 15.556 10.032 ( 4.107 1.227 7.413) 8.563 10.167 ( 8.360 -1.143 -1.730) 8.614 10.215 ( -4.451 -2.066 0.339) 4.919 10.927 ( 18.866 15.706 -21.595) 32.695 11.941 ( 3.293 -0.286 -1.604) 3.674 12.139 ( 4.776 0.199 5.456) 7.254 12.487 ( -0.840 9.140 -12.479) 15.491 12.835 ( -5.633 -1.080 -1.093) 5.839 12.925 ( 2.604 -3.322 -1.797) 4.588 14.585 ( -14.114 -10.268 -4.309) 17.978 15.073 ( -13.588 3.366 16.756) 21.834 15.403 ( -0.254 -4.554 3.327) 5.645 15.435 ( 1.020 -1.618 -1.170) 2.242 16.058 ( -7.263 -6.718 -0.814) 9.927 16.362 ( 7.054 4.024 4.089) 9.093 17.568 ( 2.991 1.789 12.650) 13.121 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 8.027 7.894 11.411) 16.030 0.918 ( 9.611 -0.453 -0.983) 9.671 1.094 ( -11.719 -4.232 -1.603) 12.562 1.258 ( 6.084 3.696 -6.421) 9.587 1.548 ( -4.716 -7.116 -4.265) 9.543 1.771 ( -6.314 0.458 -2.199) 6.702 1.858 ( 8.593 0.897 1.032) 8.701 1.972 ( 0.948 -2.170 3.594) 4.304 2.182 ( -0.982 1.089 -0.694) 1.623 2.286 ( 2.629 1.922 -3.443) 4.739 2.520 ( -3.549 3.724 -1.604) 5.389 2.629 ( 5.267 2.248 -2.677) 6.321 2.714 ( 2.898 -4.760 5.409) 7.766 2.771 ( 8.303 3.633 3.341) 9.659 3.024 ( -15.269 -5.282 -8.202) 18.119 3.121 ( -8.584 -5.698 -4.836) 11.382 3.703 ( 5.827 -0.413 4.852) 7.594 3.821 ( -3.553 4.211 -1.148) 5.628 3.866 ( -0.289 -2.424 -5.274) 5.812 3.984 ( -0.509 2.817 1.548) 3.254 4.224 ( -3.553 3.113 7.241) 8.645 4.412 ( 4.178 -3.286 -4.729) 7.115 4.667 ( 6.543 3.117 2.217) 7.579 4.877 ( -0.786 -4.720 -0.940) 4.877 5.080 ( -2.257 -0.883 -0.276) 2.440 5.186 ( -3.932 -5.295 -1.903) 6.865 5.296 ( -1.812 3.766 -1.788) 4.545 5.640 ( 6.338 -0.592 0.440) 6.381 5.901 ( -5.159 -1.245 1.017) 5.404 5.937 ( -5.322 1.976 4.136) 7.024 5.951 ( 0.689 -2.477 -5.496) 6.068 6.219 ( -0.381 -2.047 -0.999) 2.309 6.635 ( -7.362 0.650 1.461) 7.534 6.846 ( -1.265 0.775 -3.307) 3.624 7.281 ( 0.463 -3.866 0.701) 3.956 7.390 ( 1.432 1.191 -1.531) 2.411 7.960 ( 5.754 -4.027 1.360) 7.154 8.016 ( 0.660 5.331 -3.246) 6.277 8.150 ( -5.895 3.411 7.842) 10.386 8.230 ( 2.491 2.298 -2.993) 4.522 8.902 ( 10.836 -0.897 2.379) 11.131 9.306 ( 4.688 2.582 -7.388) 9.123 9.355 ( -10.814 0.866 -2.308) 11.091 9.823 ( -1.656 -4.206 8.551) 9.673 9.991 ( 0.137 -1.875 -5.526) 5.837 10.153 ( -2.261 -1.639 0.560) 2.848 10.405 ( 7.218 2.095 5.098) 9.082 11.027 ( 5.957 5.296 -5.710) 9.806 11.966 ( 1.846 -0.092 -0.574) 1.936 12.241 ( 2.959 -2.320 2.860) 4.725 12.404 ( -2.917 6.260 -5.193) 8.640 12.746 ( -3.203 -0.886 -0.348) 3.342 12.922 ( 1.806 -1.320 -0.848) 2.392 14.323 ( -6.250 -4.239 -2.212) 7.869 15.094 ( -5.362 1.257 5.260) 7.615 15.404 ( -0.809 -0.218 1.010) 1.312 15.444 ( 1.893 -1.106 0.403) 2.229 15.925 ( -1.950 -2.747 -2.282) 4.069 16.498 ( 3.008 1.619 1.421) 3.700 17.724 ( 1.341 0.822 4.485) 4.753 ======================= Grid point 8 (5/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 1.159 -1.149 16.038) 16.121 0.506 ( -6.849 4.452 13.937) 16.155 0.913 ( 2.075 21.145 13.858) 25.367 1.409 ( 1.948 -6.090 -8.037) 10.271 1.654 ( -7.307 0.922 2.519) 7.784 1.736 ( 2.579 1.461 -6.997) 7.599 1.785 ( 1.528 1.165 2.510) 3.161 2.093 ( -3.329 -3.143 -6.323) 7.806 2.219 ( 1.108 -3.338 -2.791) 4.490 2.319 ( 6.028 4.657 -1.927) 7.858 2.376 ( 1.197 5.453 -2.563) 6.143 2.450 ( -8.635 11.088 -6.688) 15.564 2.653 ( -2.014 -6.793 3.051) 7.714 3.064 ( 4.439 -5.283 -10.770) 12.791 3.343 ( -2.551 2.920 -6.943) 7.952 3.444 ( 2.359 -7.734 4.880) 9.445 3.665 ( 0.752 -2.301 -2.911) 3.786 3.842 ( 0.002 1.365 -9.269) 9.369 3.972 ( -1.945 -6.931 11.918) 13.924 4.000 ( -0.062 5.996 4.994) 7.804 4.083 ( 5.307 -2.822 -3.907) 7.169 4.264 ( -5.768 5.836 -11.678) 14.273 4.522 ( -4.775 3.033 -0.738) 5.705 4.687 ( 2.524 2.781 4.816) 6.108 5.215 ( 1.163 0.195 -12.936) 12.989 5.390 ( 3.656 5.768 -14.031) 15.605 5.464 ( -1.573 -1.379 -6.007) 6.361 5.562 ( -3.410 -7.108 -0.773) 7.921 5.901 ( 8.125 0.135 6.102) 10.162 6.016 ( -2.839 -0.658 2.947) 4.144 6.143 ( -2.123 -0.515 0.554) 2.254 6.259 ( -1.921 13.540 -5.607) 14.780 6.954 ( -4.081 -13.031 -4.505) 14.379 7.078 ( 5.290 -5.458 -5.445) 9.350 7.213 ( 3.721 -8.801 -8.903) 13.060 7.378 ( -3.196 -6.252 -0.650) 7.051 7.688 ( 5.943 16.937 6.300) 19.023 7.773 ( -4.595 6.124 -12.392) 14.566 8.159 ( -0.941 -9.439 9.319) 13.297 8.322 ( 5.088 0.442 8.361) 9.797 8.674 ( -1.941 16.830 1.294) 16.991 9.182 ( -11.234 -2.509 -1.347) 11.589 9.424 ( 7.618 4.843 4.920) 10.281 9.781 ( -1.778 10.312 7.927) 13.128 10.097 ( 2.012 -2.635 -2.098) 3.923 10.176 ( -5.955 -2.396 -4.455) 7.813 10.322 ( -3.550 1.562 1.410) 4.127 10.359 ( 9.504 30.620 -14.031) 34.997 11.880 ( -0.517 -6.260 1.823) 6.541 12.078 ( -0.859 7.990 5.480) 9.727 12.478 ( 2.771 4.666 0.078) 5.427 12.889 ( 0.484 -3.474 -2.578) 4.353 12.948 ( -1.244 0.799 -1.329) 1.988 14.944 ( -3.672 -11.424 -2.121) 12.186 15.097 ( 6.365 -8.337 -1.076) 10.544 15.363 ( -0.634 -9.443 -0.193) 9.467 15.601 ( -0.465 2.979 6.022) 6.735 16.147 ( -1.666 8.418 0.496) 8.596 16.334 ( -0.044 -18.772 -9.980) 21.260 17.605 ( 0.028 -9.603 23.318) 25.218 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -2.428 -0.990 4.796) 5.466 0.640 ( 6.540 0.922 13.262) 14.816 1.014 ( 5.806 4.488 -14.721) 16.449 1.435 ( -9.919 4.401 1.019) 10.899 1.552 ( 5.280 2.564 12.566) 13.869 1.752 ( -4.089 -8.848 -0.246) 9.750 1.907 ( 3.315 0.657 7.543) 8.266 2.006 ( -1.342 1.708 -3.584) 4.191 2.188 ( -9.822 1.021 -2.471) 10.179 2.276 ( 4.027 1.903 2.548) 5.131 2.433 ( 5.711 8.025 -5.929) 11.497 2.493 ( 6.405 2.077 -1.768) 6.962 2.613 ( 0.789 -2.789 2.321) 3.713 2.841 ( -9.602 -4.188 -5.515) 11.839 3.261 ( -2.822 -6.201 -6.976) 9.751 3.461 ( 4.581 -0.427 -3.347) 5.689 3.563 ( -7.564 -6.197 -3.832) 10.503 3.697 ( 3.267 -2.022 -5.941) 7.075 3.940 ( -0.772 3.468 -3.318) 4.861 4.042 ( 3.655 1.131 -3.914) 5.473 4.129 ( 2.908 -2.294 -8.947) 9.683 4.308 ( 3.394 -1.490 14.681) 15.142 4.501 ( 0.882 2.107 0.067) 2.285 4.786 ( 5.979 0.487 -0.756) 6.046 5.086 ( 0.284 1.721 -8.954) 9.123 5.336 ( -2.334 -6.602 -0.557) 7.025 5.384 ( -1.344 12.130 -14.078) 18.631 5.409 ( 1.797 -7.174 -3.409) 8.144 5.898 ( -2.278 -7.451 -5.248) 9.394 5.978 ( 6.863 -7.687 -7.051) 12.486 6.156 ( -4.086 -2.156 7.617) 8.909 6.231 ( -6.823 7.206 -4.413) 10.861 6.762 ( 6.088 -2.295 -12.923) 14.468 7.013 ( -12.320 2.247 -4.691) 13.373 7.132 ( 7.467 -8.457 -1.295) 11.356 7.355 ( 3.116 -2.848 4.745) 6.350 7.642 ( 5.099 2.032 -10.826) 12.138 7.961 ( 2.188 8.336 2.615) 9.007 8.194 ( 1.035 -9.072 10.339) 13.794 8.429 ( -2.351 4.630 8.707) 10.138 8.795 ( -5.232 12.293 1.887) 13.493 9.100 ( 5.054 -0.489 -3.347) 6.081 9.516 ( -2.833 5.508 1.130) 6.296 9.997 ( -3.106 -6.535 -1.985) 7.503 10.064 ( 2.798 -0.403 4.903) 5.659 10.088 ( 1.387 4.072 9.538) 10.463 10.285 ( -5.434 -0.764 3.622) 6.575 10.651 ( 15.343 24.193 -8.638) 29.922 11.860 ( 2.746 -9.111 2.726) 9.899 12.201 ( -0.721 6.478 4.795) 8.091 12.555 ( -2.107 6.888 2.104) 7.504 12.843 ( 2.310 -4.051 -1.299) 4.841 12.893 ( -4.563 0.428 -1.024) 4.696 14.663 ( -14.745 -11.065 -1.790) 18.522 15.156 ( 4.865 -1.474 -4.096) 6.529 15.257 ( 5.625 -16.101 -0.306) 17.058 15.619 ( -8.966 4.327 3.335) 10.500 15.960 ( -1.170 -8.433 -12.079) 14.778 16.348 ( 5.159 10.674 0.452) 11.864 17.770 ( -2.967 -4.131 15.544) 16.355 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 14.988 -3.005 0.287) 15.289 0.845 ( 2.711 4.138 0.020) 4.947 1.052 ( 3.416 -2.776 3.201) 5.443 1.368 ( -3.673 3.134 6.063) 7.750 1.557 ( -6.484 -9.622 1.018) 11.647 1.764 ( -0.022 -1.416 2.321) 2.719 1.943 ( -5.644 5.745 3.781) 8.897 1.989 ( 0.079 -2.508 3.234) 4.093 2.107 ( 2.528 -0.778 -1.970) 3.298 2.379 ( -1.486 -1.402 4.316) 4.775 2.518 ( 1.431 -0.412 1.572) 2.165 2.571 ( 7.186 8.791 1.242) 11.422 2.699 ( 2.234 -0.001 0.924) 2.418 2.753 ( 4.683 4.806 3.602) 7.616 3.045 ( -4.627 -4.891 -8.221) 10.626 3.199 ( -18.833 -3.644 -4.066) 19.608 3.567 ( 11.557 -1.805 -2.586) 11.980 3.741 ( 4.481 0.806 -2.343) 5.121 3.876 ( -5.463 4.253 -6.912) 9.783 4.017 ( 4.193 -2.032 -6.691) 8.154 4.080 ( 4.989 -6.574 -3.361) 8.911 4.442 ( 1.936 -0.177 4.473) 4.877 4.613 ( 8.277 1.535 2.369) 8.745 4.846 ( 4.619 5.365 -4.681) 8.487 5.015 ( -0.536 0.112 -4.271) 4.306 5.144 ( -6.544 -10.095 -1.308) 12.101 5.319 ( -0.207 5.734 -5.650) 8.053 5.487 ( 12.156 0.121 -0.788) 12.182 5.762 ( 1.461 -3.754 -7.202) 8.252 5.907 ( 14.582 -8.194 -15.373) 22.718 6.066 ( -10.967 3.654 -3.570) 12.099 6.148 ( -7.557 -1.356 5.333) 9.348 6.712 ( 9.605 0.077 -13.628) 16.673 6.810 ( -14.785 -4.571 6.207) 16.674 7.152 ( 8.772 -2.788 -4.660) 10.317 7.446 ( -1.797 11.630 -0.437) 11.776 7.694 ( 12.559 -10.853 2.428) 16.775 7.955 ( -2.663 -2.665 -1.096) 3.924 8.218 ( -1.562 -3.065 1.175) 3.635 8.627 ( -9.418 5.726 14.575) 18.273 8.803 ( 5.347 2.774 1.872) 6.308 9.165 ( 6.991 4.392 -5.261) 9.790 9.473 ( -5.472 2.561 -2.998) 6.745 9.935 ( -6.016 1.882 1.854) 6.570 10.023 ( -3.585 -3.419 5.355) 7.295 10.181 ( -4.913 -1.984 4.599) 7.016 10.441 ( 4.088 5.744 8.847) 11.312 10.909 ( 10.143 15.511 -5.158) 19.237 11.878 ( 5.692 -13.292 4.660) 15.192 12.273 ( -1.870 4.470 2.583) 5.491 12.574 ( -7.565 9.458 2.733) 12.416 12.796 ( -5.150 -2.006 -0.134) 5.529 12.901 ( 2.839 0.414 4.688) 5.496 14.388 ( -10.337 -6.573 0.815) 12.277 14.992 ( 0.645 -12.797 -10.439) 16.527 15.321 ( 9.527 -6.742 -0.808) 11.700 15.536 ( -7.511 6.157 -2.148) 9.947 15.839 ( 4.088 -0.198 -5.853) 7.142 16.487 ( 2.916 6.464 -0.403) 7.103 17.836 ( -5.147 -2.428 7.546) 9.451 ======================= Grid point 11 (8/60) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -4.120 -2.672 -3.974) 6.317 0.930 ( -3.411 0.430 -2.047) 4.001 1.042 ( 5.087 -5.694 10.126) 12.682 1.476 ( -2.598 5.234 9.127) 10.837 1.581 ( 5.884 1.262 3.356) 6.890 1.731 ( -0.207 -1.673 2.433) 2.960 1.972 ( -2.153 5.070 -4.245) 6.954 2.021 ( -1.743 -4.289 11.292) 12.204 2.129 ( 0.415 -2.285 1.340) 2.682 2.400 ( 5.058 -6.573 0.880) 8.341 2.501 ( -8.874 -0.410 3.625) 9.595 2.664 ( -0.437 -2.335 1.270) 2.694 2.714 ( -1.289 5.993 -5.278) 8.090 2.879 ( -13.079 2.209 -2.108) 13.430 3.021 ( 12.534 12.588 10.503) 20.636 3.086 ( 8.990 0.626 5.543) 10.581 3.577 ( 1.206 -8.238 -8.861) 12.159 3.721 ( 7.012 4.731 -12.434) 15.039 3.868 ( 2.589 3.596 2.505) 5.090 3.924 ( 3.814 -8.204 -4.371) 10.048 4.084 ( -0.716 -1.393 3.201) 3.564 4.529 ( 3.677 0.297 2.451) 4.429 4.665 ( -2.705 -4.411 -3.447) 6.217 4.928 ( 4.916 10.697 -10.143) 15.539 4.974 ( -1.518 -0.240 1.588) 2.210 5.079 ( 14.000 -2.036 1.748) 14.255 5.280 ( -2.174 1.726 -5.403) 6.074 5.629 ( 4.960 -7.153 1.270) 8.797 5.723 ( 7.905 2.403 -5.000) 9.657 5.895 ( 10.287 -3.914 -9.506) 14.543 5.954 ( 5.301 2.782 -6.020) 8.490 6.116 ( -5.807 5.063 3.717) 8.554 6.632 ( -3.696 -7.296 2.245) 8.481 6.767 ( 7.427 -5.030 -0.407) 8.979 7.211 ( 7.574 4.753 -5.649) 10.577 7.489 ( -3.408 9.973 -0.707) 10.563 7.789 ( 8.467 -10.872 0.629) 13.794 7.874 ( -2.103 -7.695 1.076) 8.049 8.161 ( -3.374 -0.550 -2.076) 3.999 8.559 ( -13.587 3.472 5.477) 15.055 8.991 ( -1.118 -4.378 3.150) 5.508 9.228 ( 11.566 4.404 0.742) 12.399 9.463 ( -2.992 4.061 6.729) 8.410 9.823 ( -9.066 1.782 -3.183) 9.772 10.039 ( 3.874 -2.237 0.073) 4.474 10.197 ( -6.399 4.382 5.439) 9.472 10.470 ( -9.700 1.282 -2.665) 10.140 11.107 ( 4.980 9.449 4.102) 11.442 11.901 ( 5.838 -17.111 4.887) 18.728 12.284 ( -4.370 7.717 -2.491) 9.212 12.613 ( -7.592 3.583 13.234) 15.672 12.733 ( -0.846 -0.481 0.372) 1.042 13.014 ( -2.333 2.428 9.503) 10.082 14.330 ( 1.681 0.430 3.703) 4.089 14.761 ( 5.799 -10.649 -17.665) 21.427 15.345 ( 5.735 -7.321 -1.866) 9.485 15.492 ( -3.126 8.684 -3.074) 9.728 15.871 ( 6.558 1.208 -3.536) 7.547 16.507 ( -2.512 2.269 -2.708) 4.335 17.768 ( -8.916 -2.594 0.822) 9.322 ======================= Grid point 12 (9/60) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -10.141 2.235 1.177) 10.451 0.676 ( -13.256 -5.964 -4.509) 15.219 1.301 ( 3.589 2.998 8.739) 9.912 1.541 ( -4.018 1.230 2.607) 4.945 1.582 ( -16.835 -2.981 3.158) 17.386 1.710 ( 2.169 -2.991 -3.051) 4.792 1.992 ( 1.175 5.020 1.659) 5.416 2.068 ( 0.427 2.226 -1.387) 2.657 2.180 ( 6.486 -4.736 8.285) 11.539 2.339 ( -0.478 -6.700 -2.649) 7.220 2.463 ( 2.651 0.846 1.526) 3.174 2.618 ( -7.305 2.287 4.253) 8.757 2.730 ( -3.409 3.059 -2.518) 5.227 2.906 ( 2.593 7.970 12.004) 14.641 3.284 ( 7.732 -5.572 0.210) 9.533 3.403 ( 10.341 2.961 2.863) 11.131 3.478 ( 9.632 2.878 -4.020) 10.826 3.633 ( 3.081 3.452 -16.562) 17.196 3.808 ( -1.356 -3.908 1.990) 4.590 3.999 ( -2.673 -0.701 3.495) 4.456 4.179 ( 3.720 -0.371 10.005) 10.680 4.497 ( -1.560 -2.204 -8.145) 8.580 4.613 ( 4.117 -0.531 1.873) 4.554 4.855 ( -4.531 -1.455 -7.924) 9.244 5.009 ( 6.966 -0.136 2.207) 7.309 5.221 ( 3.598 5.060 -4.273) 7.537 5.463 ( 19.995 6.845 7.102) 22.296 5.580 ( 1.843 -5.464 -3.744) 6.875 5.814 ( 3.004 0.474 -0.520) 3.085 5.860 ( 0.699 0.127 -1.926) 2.053 6.077 ( 15.944 -2.795 -4.138) 16.707 6.184 ( 2.485 11.563 -2.217) 12.033 6.589 ( 0.535 -10.738 6.306) 12.465 6.888 ( 15.066 -1.523 -1.070) 15.181 7.305 ( 5.306 5.614 -1.025) 7.792 7.495 ( -2.408 3.427 -0.687) 4.244 7.747 ( -7.141 -7.655 1.315) 10.551 7.812 ( 6.915 -4.187 -5.155) 9.588 8.074 ( -4.714 -0.112 -1.122) 4.847 8.459 ( -14.594 1.028 5.007) 15.464 8.936 ( -2.154 1.132 2.415) 3.428 9.422 ( -6.537 -2.974 3.703) 8.080 9.535 ( 2.069 1.173 9.487) 9.780 9.753 ( 4.063 4.818 -2.514) 6.785 10.016 ( -10.709 0.615 -10.638) 15.107 10.127 ( 3.672 -2.906 -0.729) 4.739 10.290 ( -7.453 2.669 -2.652) 8.349 11.319 ( -1.409 7.505 15.702) 17.460 11.872 ( 4.926 -17.167 0.081) 17.860 12.198 ( -9.194 8.141 -5.360) 13.399 12.761 ( 0.726 -6.591 16.133) 17.442 12.791 ( 3.101 5.983 2.917) 7.343 13.153 ( -10.331 3.547 27.855) 29.920 14.375 ( 11.650 -3.325 -30.469) 32.789 14.623 ( 8.655 1.971 0.412) 8.886 15.345 ( 5.066 -5.216 -2.350) 7.641 15.485 ( -1.926 7.732 -3.602) 8.744 15.916 ( 6.719 -1.531 -5.259) 8.669 16.397 ( -7.513 -0.225 -3.470) 8.279 17.577 ( -12.446 -2.355 -2.466) 12.905 ======================= Grid point 13 (10/60) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -14.683 -0.868 -3.682) 15.162 0.421 ( -13.656 2.554 -0.325) 13.896 1.053 ( -34.376 -0.738 1.903) 34.437 1.478 ( -0.942 -0.599 -5.444) 5.557 1.561 ( -0.807 0.811 6.933) 7.026 1.717 ( 0.909 0.049 0.945) 1.312 1.998 ( 4.667 0.260 -2.992) 5.550 2.163 ( 5.887 1.807 -3.082) 6.887 2.250 ( 4.828 -7.661 1.244) 9.140 2.378 ( 1.015 5.544 3.619) 6.698 2.514 ( 3.244 1.916 -2.171) 4.348 2.617 ( -7.150 -0.197 -3.497) 7.962 2.690 ( 0.202 -0.358 -1.932) 1.976 3.102 ( 2.324 -0.042 7.211) 7.576 3.231 ( 5.141 -13.720 -6.079) 15.863 3.353 ( -7.063 13.659 4.571) 16.042 3.602 ( 3.291 3.987 -1.374) 5.350 3.740 ( 14.403 -8.323 -4.484) 17.229 3.840 ( 1.750 2.641 6.691) 7.404 3.984 ( -0.425 2.691 -1.200) 2.977 4.287 ( 3.251 -8.621 4.883) 10.428 4.437 ( 2.758 5.878 -8.000) 10.303 4.621 ( -5.430 -1.037 -6.685) 8.675 4.704 ( -5.214 1.869 4.906) 7.399 5.207 ( 15.068 -3.181 3.848) 15.874 5.353 ( 9.771 5.756 -1.059) 11.390 5.514 ( 4.112 -3.068 -5.383) 7.436 5.765 ( 0.150 -1.684 1.072) 2.002 5.856 ( 0.338 3.611 -0.829) 3.720 5.898 ( 7.875 -1.172 11.286) 13.812 6.205 ( -2.801 3.632 -2.482) 5.215 6.253 ( 16.504 -1.914 -5.820) 17.605 6.642 ( 9.986 -3.889 0.778) 10.745 7.141 ( 17.660 -0.673 1.929) 17.777 7.409 ( -1.834 4.619 5.839) 7.668 7.418 ( -2.200 -1.028 -10.030) 10.320 7.582 ( -8.646 -1.350 3.398) 9.387 7.890 ( 8.367 0.009 2.605) 8.764 8.005 ( -2.971 -0.130 -0.846) 3.092 8.297 ( -13.742 0.642 1.314) 13.820 8.916 ( -8.741 -0.484 -0.699) 8.782 9.310 ( -7.782 1.699 0.145) 7.966 9.484 ( -16.472 -2.799 -3.500) 17.071 9.742 ( -1.046 -0.284 0.975) 1.458 9.946 ( 9.986 0.894 0.434) 10.035 10.178 ( 5.487 -0.867 -2.180) 5.967 10.243 ( 3.408 1.209 -1.125) 3.786 11.560 ( -0.256 0.611 4.184) 4.236 11.770 ( 3.547 -3.043 -3.437) 5.801 12.061 ( -9.332 2.619 -1.114) 9.756 12.875 ( 5.180 -0.449 1.538) 5.422 12.909 ( 2.830 0.064 1.397) 3.157 13.721 ( -8.620 1.538 29.223) 30.507 13.750 ( 3.825 -1.375 -27.013) 27.317 14.900 ( 14.508 0.411 6.293) 15.820 15.326 ( 5.105 -4.297 -5.261) 8.497 15.459 ( -2.332 4.352 -3.211) 5.890 15.913 ( 0.775 -0.359 1.628) 1.839 16.243 ( -9.143 -0.094 -0.678) 9.169 17.363 ( -11.836 -0.013 0.000) 11.836 ======================= Grid point 15 (11/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -2.032 3.538 14.643) 15.200 0.784 ( -4.637 4.485 11.691) 13.353 1.078 ( -7.457 5.792 -12.585) 15.734 1.365 ( 6.499 2.568 6.525) 9.561 1.644 ( 4.322 4.987 6.904) 9.551 1.687 ( -0.803 -4.336 -3.320) 5.519 1.946 ( -7.636 0.811 6.880) 10.310 2.041 ( 1.271 -3.316 -3.072) 4.696 2.121 ( 2.230 -3.177 -1.348) 4.109 2.295 ( 1.563 5.351 -7.258) 9.152 2.325 ( 2.226 2.561 -0.504) 3.430 2.603 ( -6.158 7.208 -3.623) 10.149 2.640 ( -1.387 -0.991 1.898) 2.551 2.903 ( 6.422 0.708 0.172) 6.463 3.315 ( 10.166 -4.848 -5.082) 12.356 3.383 ( -8.143 -3.589 -4.308) 9.887 3.515 ( -2.018 -8.759 -3.446) 9.626 3.698 ( 3.398 -1.588 -6.841) 7.802 3.876 ( 0.282 2.515 -8.719) 9.079 3.970 ( -0.031 -5.270 -1.814) 5.573 4.249 ( 0.080 -2.856 15.005) 15.274 4.309 ( -5.733 3.311 -5.276) 8.465 4.589 ( -6.464 5.765 -3.360) 9.290 4.791 ( -6.227 -0.541 1.820) 6.510 5.094 ( -3.207 -0.056 -14.724) 15.069 5.176 ( 7.730 5.572 -7.709) 12.257 5.429 ( -7.341 0.886 -6.795) 10.042 5.527 ( 1.483 -1.885 -1.425) 2.790 5.873 ( 0.662 -4.349 0.628) 4.444 5.973 ( 1.338 -7.334 -4.368) 8.640 6.129 ( 4.908 0.036 -3.271) 5.898 6.271 ( -0.474 3.644 -2.741) 4.584 6.777 ( 10.524 -14.109 -8.936) 19.740 6.833 ( -3.652 -16.412 -1.181) 16.855 7.179 ( -6.446 19.517 -4.598) 21.062 7.331 ( 2.062 -3.064 -4.970) 6.192 7.781 ( -11.660 -6.901 -0.569) 13.562 7.905 ( -1.502 15.118 3.753) 15.649 8.158 ( 3.513 -12.540 8.351) 15.471 8.333 ( 6.339 3.593 5.959) 9.413 8.787 ( -1.188 8.515 -0.112) 8.598 9.309 ( -6.256 0.194 -3.979) 7.417 9.423 ( 7.913 8.336 6.362) 13.137 9.970 ( 1.458 -7.431 -3.194) 8.219 10.073 ( -8.086 4.447 5.984) 10.998 10.174 ( 6.659 0.749 0.956) 6.769 10.269 ( 0.650 5.043 3.843) 6.373 10.616 ( -14.598 21.218 -2.129) 25.842 11.867 ( -2.676 -7.920 1.372) 8.472 12.242 ( -2.177 8.653 4.529) 10.006 12.450 ( 7.051 -1.350 4.559) 8.504 12.820 ( 0.915 -2.431 -1.859) 3.194 12.943 ( 0.550 1.657 -1.545) 2.331 14.710 ( 16.286 -5.801 -2.330) 17.444 15.043 ( -5.794 -18.127 4.333) 19.517 15.288 ( -3.640 -5.643 -4.905) 8.316 15.626 ( 6.486 4.680 2.442) 8.363 15.991 ( 0.783 -7.568 -14.258) 16.161 16.356 ( -5.202 11.024 1.090) 12.238 17.767 ( 3.058 -4.270 15.398) 16.269 ======================= Grid point 16 (12/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -17.378 4.097 0.291) 17.857 0.827 ( 1.102 4.037 18.631) 19.096 0.923 ( -2.915 3.909 -2.719) 5.583 1.550 ( -3.626 -4.277 -0.443) 5.624 1.588 ( 9.323 -4.855 8.264) 13.371 1.773 ( -9.464 -6.125 1.308) 11.349 1.883 ( 6.597 1.030 0.429) 6.691 2.070 ( -2.063 0.658 6.039) 6.416 2.165 ( 7.754 -3.801 -5.077) 10.017 2.291 ( 3.184 8.875 -0.767) 9.460 2.400 ( 3.069 -4.938 -0.911) 5.885 2.512 ( -9.268 8.542 1.265) 12.667 2.676 ( -1.762 9.571 5.565) 11.210 2.898 ( -10.028 -2.579 -0.265) 10.358 3.153 ( -2.055 -4.631 -7.893) 9.379 3.271 ( 4.737 -6.097 -11.416) 13.782 3.528 ( 8.882 -1.909 7.336) 11.677 3.706 ( -8.001 0.789 -3.668) 8.837 3.759 ( 6.937 -7.318 -9.362) 13.759 3.877 ( 2.415 3.151 -2.505) 4.695 4.162 ( -7.595 -3.090 -1.068) 8.269 4.361 ( 0.514 -2.949 0.860) 3.115 4.470 ( -0.956 2.935 -5.988) 6.737 4.750 ( 0.450 2.256 -1.588) 2.796 5.000 ( 3.585 2.353 -6.164) 7.509 5.239 ( 4.318 0.328 -4.019) 5.908 5.282 ( 2.318 8.733 -11.424) 14.565 5.405 ( -8.473 -1.923 -4.109) 9.612 5.701 ( -3.391 -7.371 -13.450) 15.708 5.841 ( -3.879 -11.296 -3.712) 12.507 6.133 ( 6.329 10.357 -15.690) 19.836 6.240 ( -0.323 -1.928 -0.409) 1.997 6.602 ( -3.058 -4.740 -6.089) 8.301 6.793 ( 12.986 -17.813 1.427) 22.090 7.279 ( -9.239 3.260 2.966) 10.237 7.349 ( 7.657 8.444 2.294) 11.627 7.548 ( -7.283 5.300 -7.089) 11.462 8.054 ( -0.619 -0.870 6.997) 7.078 8.154 ( 2.323 -17.051 5.525) 18.073 8.495 ( 5.808 2.448 5.406) 8.303 8.886 ( 5.171 4.519 -0.170) 6.869 9.170 ( -10.369 7.668 -1.731) 13.012 9.552 ( -2.487 -2.054 -3.194) 4.540 9.944 ( 5.622 0.577 2.628) 6.233 10.119 ( -1.205 0.415 5.425) 5.573 10.325 ( -0.498 4.704 13.508) 14.312 10.377 ( -0.298 4.226 3.030) 5.208 10.712 ( -1.414 24.839 2.628) 25.017 11.784 ( -0.042 -13.030 2.360) 13.243 12.323 ( -1.288 4.662 2.898) 5.638 12.652 ( 6.092 3.833 8.509) 11.145 12.782 ( -1.341 -0.008 -1.519) 2.026 12.936 ( -1.121 0.943 0.135) 1.471 14.757 ( -10.336 -11.711 1.399) 15.682 14.933 ( 15.019 -10.896 0.616) 18.565 15.075 ( -6.244 -8.356 -9.214) 13.918 15.710 ( 3.773 -0.958 -13.215) 13.776 15.727 ( -3.362 0.647 -4.112) 5.350 16.428 ( -0.437 11.645 0.941) 11.691 17.923 ( 0.247 -4.584 10.897) 11.824 ======================= Grid point 17 (13/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -4.460 4.493 5.161) 8.168 0.897 ( -2.766 0.526 11.065) 11.418 1.096 ( 0.543 3.053 7.286) 7.918 1.468 ( -3.855 -4.073 3.898) 6.830 1.624 ( -6.746 -5.429 6.218) 10.661 1.770 ( 5.297 -4.519 5.280) 8.738 1.981 ( -0.413 -5.886 -5.410) 8.005 2.020 ( 7.699 2.575 3.318) 8.770 2.116 ( -8.569 5.852 -1.557) 10.493 2.319 ( 0.946 -11.566 -2.744) 11.925 2.469 ( 11.439 1.281 -0.340) 11.516 2.642 ( 5.263 11.293 3.618) 12.974 2.702 ( -7.329 -0.676 1.763) 7.568 2.870 ( -0.346 7.647 11.232) 13.592 2.910 ( -2.244 -5.736 -12.352) 13.802 3.288 ( 10.446 -4.423 -7.866) 13.805 3.463 ( -14.103 5.036 3.156) 15.305 3.727 ( 1.001 0.004 0.823) 1.296 3.809 ( 7.520 -5.853 0.913) 9.573 3.899 ( -11.488 3.802 -9.290) 15.255 3.938 ( 8.710 -0.133 -1.778) 8.890 4.389 ( 1.974 -3.139 -3.151) 4.865 4.470 ( 12.807 2.090 -3.167) 13.357 4.749 ( 1.672 -4.453 -2.950) 5.598 5.003 ( 0.799 1.674 -2.256) 2.920 5.172 ( -8.147 -7.439 -6.365) 12.737 5.235 ( 5.726 -0.690 -0.789) 5.821 5.359 ( 5.836 10.359 -7.284) 13.944 5.437 ( 6.888 -3.403 -14.827) 16.699 5.702 ( -4.271 -2.324 -2.415) 5.429 6.050 ( 5.471 12.108 -20.187) 24.167 6.243 ( -0.123 -3.457 3.106) 4.649 6.454 ( -2.152 -5.312 -6.336) 8.544 6.880 ( 14.367 -10.089 -1.490) 17.619 7.101 ( -18.355 -9.506 8.972) 22.534 7.460 ( 6.901 -2.210 -2.267) 7.593 7.628 ( 1.316 26.503 -4.291) 26.880 8.019 ( -4.944 -14.906 9.884) 18.556 8.147 ( 3.189 -10.140 1.871) 10.793 8.702 ( 10.421 -4.619 8.937) 14.484 8.902 ( -6.775 3.584 -5.651) 9.523 9.125 ( -0.024 8.355 -0.322) 8.362 9.430 ( 1.607 -3.497 -4.543) 5.954 10.076 ( -3.027 -2.854 2.475) 4.841 10.116 ( -5.917 7.078 4.899) 10.446 10.364 ( -4.834 0.143 5.798) 7.550 10.613 ( 0.031 10.405 12.430) 16.210 10.935 ( 1.680 21.410 -0.238) 21.477 11.724 ( 4.806 -18.824 3.969) 19.829 12.356 ( -1.304 3.147 0.765) 3.491 12.755 ( -3.639 6.686 0.444) 7.625 12.818 ( 0.242 -0.214 1.556) 1.589 13.004 ( 2.134 4.169 10.918) 11.880 14.507 ( -11.126 -13.627 3.468) 17.931 14.764 ( -6.537 -7.780 -12.223) 15.895 15.066 ( 12.952 -7.343 -2.766) 15.144 15.564 ( 2.074 2.902 -8.811) 9.506 15.714 ( 1.190 2.183 -4.672) 5.293 16.523 ( 0.507 7.142 0.344) 7.168 17.972 ( -4.101 -3.113 5.873) 7.810 ======================= Grid point 18 (14/60) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 1.145 3.590 3.803) 5.353 1.036 ( -9.780 -5.728 0.986) 11.377 1.177 ( 1.591 6.304 20.678) 21.676 1.507 ( 5.747 -1.879 3.635) 7.055 1.618 ( -2.945 0.708 2.339) 3.827 1.819 ( -3.508 1.195 4.983) 6.210 1.979 ( -0.587 -2.821 -2.598) 3.880 1.988 ( 3.297 -3.352 2.569) 5.358 2.144 ( 3.087 -4.880 -1.208) 5.900 2.261 ( 5.320 -2.488 -2.785) 6.500 2.512 ( -3.671 -2.138 -6.569) 7.822 2.654 ( 7.127 4.143 -1.392) 8.361 2.806 ( 3.073 1.565 5.768) 6.720 2.905 ( 12.950 5.611 -0.119) 14.114 3.104 ( -12.312 -3.925 -4.089) 13.554 3.155 ( 4.516 6.043 10.038) 12.557 3.456 ( 2.312 6.673 -8.038) 10.699 3.484 ( -11.870 -5.845 -4.646) 14.023 3.854 ( 1.712 -4.680 4.489) 6.707 3.944 ( 4.617 11.360 4.911) 13.210 4.060 ( 6.754 -3.203 1.488) 7.622 4.356 ( 6.045 -2.333 -7.940) 10.248 4.592 ( -2.071 -10.753 -2.667) 11.271 4.753 ( 19.913 1.208 -0.313) 19.952 4.947 ( -3.990 3.244 -6.525) 8.308 4.993 ( 2.076 -2.239 -2.438) 3.907 5.293 ( -3.744 6.209 -4.040) 8.300 5.428 ( 14.627 -6.054 -3.040) 16.120 5.504 ( 13.542 -2.697 0.894) 13.837 5.632 ( 1.825 4.172 -2.984) 5.444 6.012 ( -2.814 14.116 -9.194) 17.079 6.253 ( -0.760 1.990 1.025) 2.364 6.320 ( 8.727 -6.482 -11.056) 15.505 6.909 ( -13.370 -13.262 11.849) 22.250 6.993 ( 15.018 -5.362 -3.117) 16.248 7.504 ( 2.808 -0.741 -0.519) 2.950 7.747 ( -1.978 18.239 -5.240) 19.079 7.968 ( -4.422 -10.378 7.797) 13.713 8.124 ( -0.239 -3.980 0.965) 4.102 8.675 ( -3.985 -3.625 -6.586) 8.509 8.971 ( 8.815 -4.427 9.506) 13.699 9.166 ( -0.584 5.095 -2.076) 5.532 9.509 ( 11.066 2.207 2.301) 11.516 9.910 ( -11.339 -6.643 -1.780) 13.262 10.127 ( -8.896 6.098 4.913) 11.851 10.387 ( -5.653 3.384 2.582) 7.076 10.632 ( -15.044 2.717 -2.681) 15.521 11.181 ( 7.259 19.783 3.389) 21.343 11.702 ( 6.976 -21.723 4.066) 23.175 12.365 ( -1.851 5.153 -1.560) 5.694 12.766 ( -3.892 3.862 -1.522) 5.690 12.801 ( -1.007 -0.595 4.279) 4.436 13.265 ( 3.359 6.041 14.982) 16.500 14.286 ( -5.241 -12.518 -6.101) 14.879 14.560 ( -4.128 1.260 0.424) 4.336 15.119 ( 10.135 -7.538 -3.599) 13.134 15.551 ( -0.219 5.643 -3.199) 6.491 15.700 ( 6.308 0.754 -6.921) 9.395 16.545 ( -2.721 2.084 -0.700) 3.498 17.905 ( -9.036 -1.867 1.748) 9.391 ======================= Grid point 19 (15/60) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -8.230 7.376 2.229) 11.274 0.826 ( -14.937 -2.883 0.334) 15.217 1.399 ( 1.766 3.814 3.932) 5.756 1.540 ( -3.043 -7.020 -6.206) 9.852 1.603 ( 4.125 0.433 -1.122) 4.297 1.866 ( -1.506 -0.232 11.197) 11.300 1.977 ( -1.109 -1.664 -7.431) 7.696 1.995 ( 2.059 -0.030 -2.558) 3.284 2.107 ( 2.224 -3.770 5.685) 7.175 2.328 ( 6.377 4.213 -4.430) 8.834 2.429 ( -4.922 2.943 2.903) 6.427 2.723 ( 0.170 2.830 -6.274) 6.885 2.786 ( -6.113 -4.817 -2.535) 8.186 3.019 ( 7.396 3.686 4.182) 9.262 3.158 ( 6.368 -0.410 -5.829) 8.642 3.162 ( 1.601 -8.611 1.197) 8.840 3.423 ( 7.791 1.572 2.472) 8.324 3.525 ( 3.537 10.463 2.612) 11.349 3.868 ( -2.189 -3.536 1.229) 4.336 4.107 ( -1.183 1.678 2.254) 3.049 4.179 ( 4.092 -3.941 6.437) 8.585 4.338 ( 3.381 -3.722 -2.376) 5.561 4.440 ( 7.505 0.265 -5.492) 9.304 4.893 ( 3.381 -8.138 0.069) 8.813 4.907 ( -0.531 4.751 -2.359) 5.331 5.138 ( 12.104 1.595 -3.497) 12.700 5.348 ( 10.813 7.964 8.436) 15.859 5.469 ( -1.067 3.177 -4.508) 5.617 5.672 ( 15.722 -1.731 2.012) 15.945 5.805 ( 9.467 -3.612 4.789) 11.208 5.936 ( -4.058 8.418 -6.266) 11.251 6.258 ( -1.405 4.485 -1.188) 4.848 6.367 ( 16.565 -5.442 -5.665) 18.333 6.825 ( -4.020 -11.616 12.921) 17.834 7.132 ( 15.428 -2.542 -5.995) 16.746 7.509 ( -1.499 1.643 -0.226) 2.236 7.780 ( -2.530 6.000 1.301) 6.640 7.888 ( -7.432 1.480 0.093) 7.578 8.099 ( -2.480 -0.754 0.484) 2.637 8.589 ( 1.042 -1.635 -3.355) 3.875 8.987 ( -6.057 0.104 1.509) 6.243 9.351 ( 16.068 -1.354 4.065) 16.629 9.652 ( -12.010 -5.035 -2.146) 13.198 9.732 ( 9.586 0.516 5.554) 11.091 10.131 ( -6.990 5.043 5.194) 10.064 10.174 ( -22.264 -0.222 -10.076) 24.439 10.355 ( -8.476 -0.686 -6.470) 10.685 11.486 ( 6.373 14.218 3.984) 16.082 11.640 ( 4.829 -16.958 -0.861) 17.653 12.321 ( -6.553 5.204 -3.444) 9.049 12.743 ( 1.665 -2.230 1.358) 3.097 12.846 ( 0.982 0.584 1.430) 1.830 13.526 ( 10.867 -0.644 -5.002) 11.981 14.038 ( -12.011 1.262 5.145) 13.127 14.645 ( 2.280 0.243 10.319) 10.571 15.145 ( 7.694 -5.069 -4.203) 10.127 15.542 ( -2.893 5.328 -2.041) 6.397 15.750 ( 9.410 -0.012 -2.499) 9.736 16.474 ( -6.371 -0.792 0.002) 6.420 17.745 ( -12.815 -0.158 -0.062) 12.816 ======================= Grid point 20 (16/60) ======================= q-point: (-0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -15.457 -0.634 -0.613) 15.482 0.677 ( -14.186 9.600 2.488) 17.309 1.344 ( -0.487 -6.964 -7.736) 10.420 1.463 ( -2.369 2.680 2.708) 4.486 1.591 ( -2.949 0.675 -6.825) 7.466 1.822 ( -10.954 1.741 0.488) 11.102 1.884 ( 1.874 -0.764 -3.909) 4.402 2.008 ( 5.321 -3.010 -4.380) 7.521 2.171 ( 3.230 1.625 1.278) 3.835 2.435 ( 6.167 5.396 2.091) 8.457 2.463 ( -5.564 3.020 -7.510) 9.823 2.537 ( -0.594 0.024 -2.250) 2.327 2.700 ( -7.183 1.463 -1.547) 7.492 2.912 ( 3.372 -13.189 -11.389) 17.749 3.306 ( 11.257 3.447 8.541) 14.545 3.362 ( 11.548 -3.549 6.126) 13.545 3.466 ( 8.125 -2.708 -10.787) 13.773 3.722 ( -7.023 1.214 10.809) 12.947 3.849 ( 5.410 3.661 1.908) 6.805 4.053 ( -7.437 -1.763 2.151) 7.939 4.172 ( 2.050 -9.630 0.801) 9.878 4.365 ( 4.009 6.107 -3.123) 7.945 4.612 ( 1.094 6.197 -1.678) 6.513 4.818 ( -1.234 5.027 -1.738) 5.460 5.033 ( 9.718 -3.301 5.388) 11.591 5.174 ( 8.293 -7.144 -3.544) 11.505 5.472 ( 1.448 7.545 -0.177) 7.684 5.666 ( 7.505 -2.518 -1.936) 8.149 5.857 ( 2.160 -0.767 2.069) 3.088 5.903 ( 4.259 7.914 -0.718) 9.016 5.969 ( 14.246 -12.345 7.456) 20.272 6.238 ( -1.790 2.948 -4.124) 5.376 6.519 ( 10.540 -3.262 6.705) 12.911 6.993 ( 10.287 -1.327 9.925) 14.356 7.178 ( 9.469 -1.852 -10.813) 14.492 7.470 ( -2.080 2.718 -5.824) 6.755 7.816 ( -4.616 2.850 11.821) 13.007 7.912 ( 1.198 5.572 5.381) 7.838 8.030 ( -4.774 -0.823 -3.021) 5.709 8.461 ( -10.526 -3.101 -4.811) 11.982 8.933 ( -3.042 -0.904 -5.198) 6.090 9.436 ( -6.760 1.490 -0.247) 6.926 9.551 ( -5.613 -3.818 -5.348) 8.642 9.751 ( -0.074 -2.941 -2.936) 4.156 9.915 ( 3.103 0.588 7.799) 8.414 10.169 ( -2.341 5.096 2.380) 6.092 10.191 ( -3.134 0.740 -4.011) 5.143 11.394 ( -4.819 -10.635 -13.388) 17.765 11.796 ( 7.092 13.446 2.511) 15.408 12.200 ( -8.680 0.525 -0.563) 8.714 12.793 ( 5.902 -5.183 0.613) 7.879 12.871 ( 1.584 0.028 -1.691) 2.317 13.115 ( -12.007 -2.821 -39.066) 40.967 14.339 ( 9.909 4.254 20.682) 23.325 14.827 ( 5.196 -11.462 18.177) 22.109 15.204 ( 6.917 4.683 0.431) 8.364 15.505 ( -3.731 1.663 -1.095) 4.229 15.896 ( 8.995 1.148 2.959) 9.538 16.387 ( -7.505 0.247 3.657) 8.353 17.576 ( -12.306 2.291 2.481) 12.761 ======================= Grid point 22 (17/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -4.391 7.481 11.057) 14.054 0.978 ( 0.891 7.751 2.609) 8.226 1.121 ( -3.433 0.492 -5.230) 6.275 1.212 ( 8.195 -8.107 8.156) 14.120 1.616 ( 3.864 -2.251 0.107) 4.473 1.730 ( -0.110 -2.787 0.034) 2.790 1.869 ( 6.633 -1.158 -1.280) 6.854 2.111 ( -3.993 0.282 3.347) 5.218 2.195 ( 4.479 -4.577 7.737) 10.044 2.273 ( -2.542 1.002 -1.437) 3.087 2.309 ( -11.750 3.307 0.345) 12.211 2.641 ( 2.703 4.308 -1.562) 5.320 2.750 ( -2.463 4.217 3.509) 6.013 2.882 ( 0.664 5.527 2.005) 5.917 3.031 ( 10.529 -7.404 -4.982) 13.802 3.180 ( 12.411 -1.518 -4.688) 13.353 3.620 ( -9.831 -6.328 -6.426) 13.341 3.662 ( -11.058 0.223 -3.405) 11.573 3.816 ( 1.883 3.005 1.723) 3.943 3.942 ( -3.369 -0.391 -3.179) 4.648 4.310 ( -3.848 3.487 -4.851) 7.106 4.357 ( 2.988 -6.086 7.888) 10.401 4.705 ( -6.797 1.427 0.445) 6.960 4.791 ( -1.318 0.605 -12.710) 12.792 4.908 ( -2.348 -1.693 -8.740) 9.207 5.136 ( 1.226 1.581 -1.642) 2.588 5.475 ( -0.681 8.648 -4.222) 9.648 5.566 ( -12.097 4.228 0.166) 12.815 5.773 ( -2.144 -8.386 -9.009) 12.493 5.877 ( -0.151 -1.613 -1.391) 2.136 5.971 ( 8.836 -11.446 -0.079) 14.460 6.203 ( 0.661 3.637 -7.972) 8.788 6.525 ( -1.861 -9.594 -4.533) 10.773 6.811 ( -5.452 -11.020 4.361) 13.045 7.187 ( 3.111 2.387 -9.833) 10.586 7.372 ( -4.010 14.896 -3.161) 15.747 7.869 ( -7.751 -5.342 0.852) 9.452 8.080 ( -0.324 0.096 7.318) 7.326 8.102 ( -0.227 -5.004 1.197) 5.150 8.329 ( 4.537 -2.689 5.663) 7.739 8.937 ( -6.756 7.467 2.071) 10.280 9.239 ( 3.106 0.528 -5.093) 5.989 9.498 ( 6.687 10.024 9.267) 15.201 9.872 ( -1.544 -3.832 -7.446) 8.516 10.032 ( 12.102 -1.058 5.423) 13.304 10.176 ( 0.393 -3.211 3.419) 4.707 10.445 ( -1.799 4.724 3.478) 6.136 10.964 ( -9.947 18.694 1.656) 21.240 11.852 ( -4.458 -12.150 0.953) 12.977 12.344 ( 1.718 -4.766 3.590) 6.210 12.438 ( 3.941 11.666 5.793) 13.609 12.794 ( 2.365 1.020 2.437) 3.546 12.929 ( 0.536 -0.144 0.047) 0.557 14.441 ( 13.608 -3.753 1.859) 14.238 15.000 ( -4.873 -14.419 -1.002) 15.254 15.265 ( -5.423 -2.022 -5.922) 8.280 15.592 ( 5.231 4.011 0.546) 6.615 15.810 ( -4.123 -2.058 -11.201) 12.112 16.493 ( -2.506 6.555 -0.668) 7.049 17.830 ( 4.945 -2.566 7.389) 9.254 ======================= Grid point 23 (18/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -9.753 1.330 -5.714) 11.381 1.002 ( 1.326 7.593 6.440) 10.044 1.141 ( -3.478 3.311 14.253) 15.040 1.405 ( 11.554 -6.209 6.650) 14.706 1.619 ( -2.516 -3.697 6.913) 8.233 1.764 ( 7.310 0.816 -4.389) 8.566 1.914 ( -8.414 -6.691 1.226) 10.821 1.969 ( 5.503 -5.760 1.499) 8.106 2.151 ( -7.577 -2.205 2.989) 8.439 2.316 ( 2.668 0.587 -2.044) 3.412 2.348 ( -0.919 0.724 3.067) 3.282 2.652 ( -4.390 7.744 -1.437) 9.017 2.869 ( 6.067 -2.829 -1.875) 6.952 2.937 ( -4.194 5.694 4.877) 8.590 2.950 ( 6.848 -5.316 -11.788) 14.633 3.223 ( -13.296 1.454 -1.598) 13.470 3.458 ( 10.519 -4.217 -0.626) 11.350 3.551 ( -0.480 2.175 3.699) 4.318 3.815 ( -5.563 0.918 -4.608) 7.281 3.924 ( 0.318 1.938 6.218) 6.521 4.146 ( -3.383 -1.685 -5.450) 6.632 4.414 ( -6.734 -6.198 2.254) 9.426 4.467 ( -11.444 2.634 -8.162) 14.301 4.649 ( 4.661 2.505 -12.045) 13.156 4.871 ( 2.910 3.107 -4.477) 6.178 5.118 ( 0.681 -7.536 -6.110) 9.726 5.282 ( -5.073 14.427 -6.717) 16.704 5.476 ( -9.649 5.732 -8.731) 14.220 5.619 ( -8.013 -11.811 -2.782) 14.541 5.730 ( 1.869 -6.294 -1.601) 6.758 5.979 ( -5.851 5.238 -15.809) 17.652 6.157 ( 8.895 -2.174 -1.693) 9.312 6.391 ( 5.901 -8.169 -3.688) 10.731 6.707 ( -5.046 -14.194 7.774) 16.952 7.176 ( 8.752 1.709 -5.326) 10.386 7.533 ( 1.784 25.092 -2.782) 25.309 7.689 ( -13.687 1.124 -2.237) 13.914 8.034 ( 0.355 -21.071 4.947) 21.647 8.146 ( -0.689 -8.497 12.466) 15.102 8.443 ( 7.623 -2.827 2.703) 8.568 8.943 ( -4.731 11.523 -0.037) 12.457 9.225 ( 0.864 1.271 -5.280) 5.499 9.540 ( -7.702 -5.279 -4.101) 10.198 9.914 ( 8.431 6.841 2.190) 11.076 10.221 ( -0.057 1.260 7.304) 7.412 10.340 ( 10.848 0.925 8.571) 13.857 10.541 ( 3.848 6.068 6.094) 9.421 11.047 ( -8.567 23.069 3.603) 24.870 11.695 ( -2.094 -17.109 0.609) 17.247 12.377 ( 0.156 -1.688 2.637) 3.134 12.660 ( 6.230 5.248 5.282) 9.708 12.858 ( -1.139 4.320 1.882) 4.847 12.958 ( 0.177 0.552 5.054) 5.087 14.631 ( 13.442 -13.132 1.030) 18.820 14.785 ( -5.498 -6.223 -1.363) 8.415 15.065 ( -8.710 -2.641 -6.898) 11.420 15.501 ( -3.485 0.181 -13.938) 14.368 15.714 ( 1.825 0.273 -1.378) 2.303 16.524 ( -0.490 7.540 -0.552) 7.576 17.966 ( 4.393 -3.022 5.894) 7.948 ======================= Grid point 24 (19/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -7.704 -0.546 -3.535) 8.494 1.123 ( -1.167 1.218 6.735) 6.943 1.293 ( -3.871 8.124 8.592) 12.442 1.529 ( -1.204 -4.456 7.865) 9.119 1.713 ( -2.013 -3.777 0.061) 4.280 1.757 ( 6.229 0.091 9.736) 11.559 1.898 ( 1.796 -1.903 5.276) 5.889 2.001 ( -3.284 -2.958 1.662) 4.722 2.126 ( 7.198 -6.999 -0.913) 10.081 2.252 ( -0.225 3.343 -6.748) 7.534 2.278 ( -4.300 -2.119 -7.578) 8.967 2.590 ( 2.756 -2.833 -9.209) 10.022 2.750 ( -0.620 1.750 -7.163) 7.400 2.880 ( -5.386 -1.291 0.905) 5.612 3.004 ( 2.818 3.522 1.401) 4.723 3.133 ( -2.659 -0.444 3.332) 4.286 3.613 ( 12.068 -3.454 3.751) 13.101 3.698 ( -4.193 2.316 -2.721) 5.509 3.741 ( 0.896 5.400 8.592) 10.187 3.970 ( -6.839 2.698 2.184) 7.670 4.063 ( -9.204 -0.825 1.442) 9.352 4.248 ( 7.132 4.263 -6.442) 10.514 4.330 ( -3.183 0.314 -4.520) 5.537 4.613 ( 5.911 -5.774 -4.256) 9.295 4.890 ( 6.173 0.860 -6.577) 9.061 5.001 ( -0.965 -10.481 -4.336) 11.384 5.258 ( -4.918 0.889 -2.022) 5.391 5.284 ( -4.267 2.732 -3.272) 6.031 5.388 ( -1.463 5.439 -5.286) 7.724 5.698 ( -3.859 -1.894 -10.868) 11.687 5.813 ( 5.765 8.286 -4.023) 10.867 6.212 ( 2.102 -4.528 1.221) 5.139 6.402 ( 1.643 2.976 -6.917) 7.707 6.637 ( 3.369 -15.072 5.435) 16.372 7.288 ( 4.929 -3.898 2.761) 6.864 7.434 ( -12.950 -0.432 0.911) 12.989 7.719 ( 3.480 26.336 -10.127) 28.430 7.930 ( 1.737 -19.948 3.224) 20.281 8.259 ( -4.855 -3.506 16.319) 17.383 8.553 ( 10.614 -6.391 -0.667) 12.408 8.983 ( -4.809 8.886 -1.214) 10.177 9.102 ( 0.366 -3.535 -5.923) 6.908 9.378 ( -2.914 -1.665 -1.817) 3.816 10.094 ( 4.094 1.814 1.127) 4.617 10.286 ( -2.476 3.305 4.264) 5.936 10.449 ( -1.084 0.406 2.315) 2.588 10.836 ( 4.414 7.980 10.709) 14.066 11.162 ( -5.786 22.529 0.257) 23.261 11.536 ( 2.137 -22.032 0.850) 22.152 12.387 ( -0.346 0.107 0.547) 0.656 12.783 ( 1.780 0.826 1.853) 2.699 12.874 ( -1.801 2.561 -0.480) 3.167 13.109 ( 4.088 4.494 8.261) 10.254 14.476 ( -4.151 -14.146 -3.959) 15.265 14.833 ( -11.686 -1.571 -0.595) 11.806 14.836 ( 7.615 -1.142 -1.438) 7.833 15.376 ( 5.211 1.404 -8.297) 9.898 15.697 ( -0.810 0.427 -2.319) 2.493 16.572 ( 0.136 4.235 0.042) 4.238 18.037 ( 0.155 -1.756 2.906) 3.399 ======================= Grid point 25 (20/60) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 6.533 4.479 5.010) 9.372 1.122 ( -5.301 -3.655 1.909) 6.715 1.368 ( -0.363 2.080 -1.232) 2.445 1.558 ( -3.253 1.017 5.620) 6.573 1.707 ( -4.002 2.274 3.491) 5.776 1.829 ( -3.777 -7.471 -9.587) 12.728 1.929 ( 3.414 -2.111 0.648) 4.066 1.969 ( 1.221 1.523 -0.783) 2.103 2.104 ( 0.322 0.487 -1.956) 2.042 2.187 ( -0.825 2.569 13.017) 13.294 2.355 ( 19.037 0.030 -8.597) 20.888 2.503 ( -0.455 1.082 -4.281) 4.439 2.737 ( 3.330 0.295 1.279) 3.580 2.885 ( 1.282 -1.238 -0.478) 1.845 3.057 ( 2.639 -0.597 0.374) 2.731 3.190 ( 4.718 4.434 1.343) 6.612 3.534 ( -9.232 0.819 -5.708) 10.885 3.703 ( -9.618 -2.772 1.657) 10.146 3.860 ( -0.241 -2.588 0.312) 2.618 3.914 ( 5.405 3.320 5.302) 8.268 4.031 ( -2.426 0.322 2.371) 3.408 4.308 ( 0.441 5.404 1.876) 5.737 4.443 ( 21.590 -0.866 -0.655) 21.617 4.514 ( -4.437 -10.586 -1.422) 11.566 4.853 ( 2.932 -3.460 -2.420) 5.141 4.964 ( 1.631 3.116 -1.945) 4.019 5.267 ( 4.011 0.398 4.336) 5.919 5.339 ( -1.925 0.359 -0.439) 2.007 5.365 ( 10.673 1.505 4.713) 11.764 5.648 ( 1.835 0.574 2.470) 3.131 5.896 ( 8.936 4.709 -7.813) 12.770 6.166 ( -5.568 1.631 -4.577) 7.390 6.309 ( -3.539 7.929 -5.859) 10.475 6.711 ( 11.584 -9.582 2.510) 15.241 7.136 ( -14.377 -10.304 6.769) 18.939 7.516 ( 3.979 -1.213 8.535) 9.495 7.820 ( 1.253 2.384 -2.985) 4.020 7.856 ( 5.232 9.824 -9.658) 14.736 8.298 ( -10.537 0.156 8.434) 13.498 8.519 ( 2.173 -5.016 -11.689) 12.904 8.965 ( 2.611 2.384 5.933) 6.907 9.166 ( 5.689 -5.614 1.244) 8.089 9.385 ( 5.701 3.488 0.729) 6.723 10.021 ( -10.164 -4.633 0.158) 11.171 10.314 ( -3.667 5.819 -1.155) 6.975 10.461 ( -0.954 -2.175 2.101) 3.171 10.828 ( -15.522 -0.992 -5.459) 16.484 11.317 ( 2.234 21.362 0.332) 21.481 11.458 ( 7.677 -20.642 3.298) 22.269 12.388 ( -0.297 2.083 -1.081) 2.366 12.802 ( -0.850 -2.949 -0.385) 3.094 12.854 ( -2.415 4.124 -0.302) 4.789 13.240 ( 6.670 -2.187 -3.913) 8.036 14.329 ( -6.865 2.909 2.759) 7.950 14.738 ( -6.714 -2.234 8.400) 10.983 14.910 ( 7.354 -2.193 -0.144) 7.676 15.403 ( 9.203 0.377 -5.817) 10.893 15.667 ( -1.859 2.726 -0.749) 3.384 16.580 ( -1.423 -0.695 0.232) 1.601 18.011 ( -5.089 -0.158 -0.061) 5.092 ======================= Grid point 26 (21/60) ======================= q-point: (-0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -2.936 6.888 0.821) 7.532 1.014 ( -7.511 -3.034 3.375) 8.775 1.290 ( -0.381 -4.233 -8.944) 9.903 1.462 ( -1.949 -0.959 -12.807) 12.990 1.608 ( -4.949 1.034 3.093) 5.927 1.757 ( 4.552 -2.327 -7.078) 8.732 1.905 ( -1.268 -0.243 -3.222) 3.471 2.014 ( 7.107 6.944 -2.517) 10.250 2.205 ( 1.511 4.705 8.746) 10.046 2.323 ( -2.700 -0.961 -1.729) 3.347 2.499 ( 13.117 -0.314 -7.756) 15.242 2.553 ( 0.971 4.942 10.780) 11.899 2.752 ( -9.235 -4.660 -4.477) 11.271 2.851 ( 10.045 -3.026 2.442) 10.772 3.139 ( 3.420 -0.126 -3.463) 4.869 3.264 ( -8.577 -1.250 0.224) 8.671 3.355 ( -1.388 0.699 -0.455) 1.619 3.571 ( 1.937 3.201 0.923) 3.853 3.833 ( 1.116 -4.467 1.161) 4.748 4.041 ( 5.861 -5.152 -0.305) 7.809 4.176 ( 11.565 4.816 5.466) 13.669 4.360 ( -7.449 -7.430 1.527) 10.631 4.432 ( -0.573 7.502 8.491) 11.345 4.698 ( 13.632 -4.433 1.160) 14.381 4.880 ( 3.078 -4.823 -1.217) 5.849 5.019 ( 4.725 8.515 1.683) 9.882 5.387 ( 6.908 -2.875 9.829) 12.353 5.464 ( 8.379 -0.759 6.714) 10.764 5.631 ( 2.079 10.103 4.595) 11.292 5.691 ( 6.018 -0.937 -0.208) 6.094 5.998 ( -9.821 8.562 -10.178) 16.534 6.034 ( 15.603 -6.188 5.815) 17.764 6.313 ( 1.455 3.855 0.410) 4.141 6.833 ( 11.640 3.037 -6.080) 13.479 6.991 ( -8.758 -8.743 10.435) 16.188 7.568 ( -4.553 -14.594 8.294) 17.393 7.827 ( 4.969 0.797 0.287) 5.041 7.946 ( 1.377 19.888 -7.065) 21.151 8.185 ( -7.499 1.298 -2.978) 8.173 8.431 ( 4.495 2.937 -7.856) 9.516 9.107 ( -6.749 -4.348 -0.331) 8.035 9.158 ( 12.417 -4.651 5.305) 14.281 9.580 ( 10.027 2.385 3.517) 10.890 9.836 ( -9.926 -4.957 1.933) 11.263 10.254 ( -7.006 4.340 -4.795) 9.535 10.332 ( -12.713 -5.629 -13.542) 19.409 10.458 ( -14.169 -0.544 1.866) 14.301 11.365 ( 6.013 -18.710 -2.248) 19.781 11.595 ( 5.529 17.316 1.452) 18.236 12.372 ( -2.315 3.971 -3.505) 5.781 12.712 ( -1.824 -7.182 -1.473) 7.555 12.858 ( -0.890 1.659 -0.099) 1.885 13.165 ( 5.265 -5.225 -16.291) 17.900 14.361 ( -8.075 12.289 4.668) 15.428 14.777 ( -0.114 -7.146 11.096) 13.198 15.024 ( 5.134 3.284 4.262) 7.437 15.521 ( 10.008 1.048 1.187) 10.132 15.664 ( -0.751 2.341 0.399) 2.491 16.538 ( -2.879 -3.414 1.515) 4.716 17.899 ( -9.010 1.551 -1.865) 9.331 ======================= Grid point 27 (22/60) ======================= q-point: (-0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -13.880 0.627 5.237) 14.848 0.961 ( -7.820 6.807 -0.207) 10.369 1.122 ( 3.482 -6.359 -8.816) 11.414 1.367 ( 3.668 -0.140 -8.263) 9.041 1.553 ( -0.567 0.812 -5.417) 5.507 1.756 ( 4.442 2.518 -3.348) 6.106 1.854 ( 0.371 -1.504 -2.139) 2.641 2.077 ( -11.686 3.329 -3.084) 12.536 2.174 ( 1.894 2.363 -1.285) 3.290 2.389 ( 4.285 2.224 -2.923) 5.644 2.509 ( 5.142 -4.432 -3.171) 7.492 2.565 ( -3.646 2.036 -1.885) 4.582 2.695 ( -5.596 5.493 8.113) 11.283 2.922 ( -12.171 -2.710 -2.463) 12.710 2.999 ( 10.517 -10.944 -1.289) 15.233 3.136 ( 7.541 -4.014 -10.112) 13.238 3.534 ( 3.049 6.425 12.140) 14.069 3.753 ( 11.688 3.826 -0.034) 12.298 3.835 ( -1.873 -4.041 4.405) 6.265 4.058 ( 4.138 -9.831 -2.382) 10.929 4.239 ( -7.767 1.293 4.627) 9.133 4.349 ( 2.950 2.949 1.052) 4.302 4.677 ( 6.119 9.556 7.651) 13.686 4.801 ( -4.003 -2.532 -1.683) 5.027 4.901 ( 14.464 -0.337 0.520) 14.477 5.081 ( -0.613 -1.741 4.983) 5.314 5.505 ( -4.056 0.024 -1.976) 4.511 5.705 ( -9.245 8.231 -2.234) 12.578 5.746 ( 11.493 -7.625 5.776) 14.953 5.799 ( 14.464 -1.879 5.816) 15.702 5.891 ( 3.915 5.296 -0.032) 6.586 6.195 ( 3.317 -6.141 3.457) 7.789 6.478 ( 8.141 4.967 6.311) 11.436 6.919 ( 7.552 5.765 -9.431) 13.387 7.051 ( 2.633 -2.277 12.849) 13.313 7.446 ( -2.224 -5.381 -1.415) 5.992 7.927 ( 3.067 -0.898 2.994) 4.379 8.025 ( -1.071 13.157 -2.909) 13.517 8.093 ( -4.647 -4.507 5.946) 8.790 8.401 ( 1.157 1.747 -10.653) 10.857 8.957 ( -7.697 2.428 -3.551) 8.818 9.325 ( 11.327 -9.040 1.123) 14.535 9.624 ( -9.361 -11.990 -11.842) 19.277 9.706 ( -4.421 2.491 8.157) 9.606 9.968 ( -2.413 5.781 -3.179) 7.025 10.172 ( -3.199 1.677 -3.909) 5.322 10.389 ( -7.227 3.394 5.085) 9.466 11.218 ( 0.213 -13.713 -6.118) 15.017 11.825 ( 6.613 14.751 -0.168) 16.167 12.291 ( -5.908 2.022 -2.694) 6.800 12.617 ( 2.787 -11.617 -5.883) 13.316 12.823 ( -3.087 -3.152 -5.033) 6.693 12.942 ( -2.941 2.816 -8.980) 9.860 14.343 ( -1.963 1.474 -3.333) 4.139 14.936 ( 4.681 -0.939 12.295) 13.189 15.218 ( 5.234 5.246 7.606) 10.619 15.555 ( -4.694 -1.480 -0.741) 4.978 15.800 ( 9.668 1.477 4.134) 10.618 16.504 ( -2.613 -2.230 3.281) 4.751 17.764 ( -8.620 2.601 -0.728) 9.033 ======================= Grid point 57 (23/60) ======================= q-point: ( 0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -0.000 0.000 15.244) 15.244 0.658 ( -0.000 -0.000 15.244) 15.244 0.939 ( -0.000 -0.000 11.588) 11.588 1.354 ( 0.000 0.000 -15.481) 15.481 1.744 ( -0.000 -0.000 10.522) 10.522 1.744 ( -0.000 -0.000 10.522) 10.522 1.846 ( -0.000 -0.000 5.400) 5.400 2.050 ( 0.000 0.000 -5.243) 5.243 2.050 ( 0.000 0.000 -5.243) 5.243 2.272 ( -0.000 -0.000 3.094) 3.094 2.290 ( 0.000 0.000 -5.148) 5.148 2.290 ( 0.000 0.000 -5.148) 5.148 2.751 ( -0.000 -0.000 2.811) 2.811 3.100 ( 0.000 0.000 -6.750) 6.750 3.100 ( 0.000 -0.000 -6.750) 6.750 3.613 ( -0.000 0.000 1.684) 1.684 3.613 ( 0.000 -0.000 1.684) 1.684 3.741 ( 0.000 0.000 -10.107) 10.107 3.902 ( 0.000 0.000 -12.384) 12.384 3.902 ( 0.000 0.000 -12.384) 12.384 4.104 ( -0.000 -0.000 1.468) 1.468 4.340 ( -0.000 -0.000 22.400) 22.400 4.551 ( 0.000 0.000 -6.925) 6.925 4.551 ( 0.000 -0.000 -6.925) 6.925 5.043 ( 0.000 0.000 -12.394) 12.394 5.043 ( 0.000 0.000 -12.394) 12.394 5.433 ( 0.000 0.000 -6.298) 6.298 5.644 ( -0.000 -0.000 0.283) 0.283 5.957 ( 0.000 0.000 -4.609) 4.609 5.957 ( 0.000 -0.000 -4.609) 4.609 6.174 ( -0.000 0.000 1.002) 1.002 6.174 ( 0.000 -0.000 1.002) 1.002 6.849 ( 0.000 0.000 -15.999) 15.999 6.849 ( 0.000 -0.000 -15.999) 15.999 7.414 ( 0.000 0.000 0.358) 0.358 7.414 ( 0.000 -0.000 0.358) 0.358 7.493 ( 0.000 0.000 -18.650) 18.650 7.695 ( -0.000 -0.000 23.263) 23.263 8.434 ( -0.000 -0.000 3.774) 3.774 8.509 ( -0.000 -0.000 10.792) 10.792 8.509 ( -0.000 -0.000 10.792) 10.792 9.429 ( -0.000 0.000 4.788) 4.788 9.429 ( -0.000 0.000 4.788) 4.788 9.608 ( -0.000 -0.000 6.833) 6.833 9.931 ( -0.000 -0.000 5.259) 5.259 10.222 ( -0.000 -0.000 5.125) 5.125 10.309 ( 0.000 0.000 0.304) 0.304 10.309 ( 0.000 -0.000 0.304) 0.304 12.022 ( -0.000 0.000 4.902) 4.902 12.022 ( -0.000 0.000 4.902) 4.902 12.537 ( -0.000 -0.000 8.652) 8.652 12.901 ( 0.000 0.000 -2.690) 2.690 12.901 ( 0.000 0.000 -2.690) 2.690 15.030 ( 0.000 0.000 -4.033) 4.033 15.030 ( 0.000 -0.000 -4.033) 4.033 15.583 ( -0.000 0.000 2.438) 2.438 15.583 ( 0.000 -0.000 2.438) 2.438 16.035 ( -0.000 -0.000 0.639) 0.639 16.150 ( 0.000 0.000 -31.560) 31.560 17.953 ( -0.000 -0.000 12.477) 12.477 ======================= Grid point 58 (24/60) ======================= q-point: ( 0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -3.791 -8.709 -0.480) 9.511 0.830 ( -1.750 -1.223 6.033) 6.400 0.945 ( 7.699 0.178 8.040) 11.134 1.454 ( -0.325 1.595 11.559) 11.673 1.726 ( -3.068 -4.874 9.126) 10.792 1.815 ( -7.711 3.259 1.115) 8.446 1.984 ( 5.751 -2.982 -0.507) 6.497 2.049 ( -1.943 4.872 1.205) 5.382 2.074 ( 3.496 -2.631 0.775) 4.444 2.166 ( -2.185 2.900 -1.497) 3.928 2.389 ( 5.410 5.748 2.107) 8.170 2.414 ( 11.713 0.702 7.025) 13.676 2.708 ( -4.737 -2.194 -0.522) 5.246 2.869 ( -5.303 -6.999 -3.330) 9.392 3.227 ( 7.983 5.222 -6.253) 11.406 3.409 ( -8.724 -6.034 -5.650) 12.018 3.614 ( -10.999 -6.604 -8.497) 15.388 3.644 ( 2.847 1.770 -6.012) 6.884 3.715 ( 1.363 8.737 -1.107) 8.912 3.923 ( 10.554 4.459 -8.578) 14.313 4.102 ( -0.569 -7.760 -5.586) 9.579 4.401 ( 5.784 8.923 -4.405) 11.510 4.561 ( 7.565 -5.373 -1.608) 9.417 4.633 ( 5.269 9.997 -1.794) 11.442 4.922 ( 0.843 2.546 -9.717) 10.080 4.963 ( 3.213 3.921 -9.337) 10.624 5.346 ( 1.256 0.189 -5.971) 6.104 5.537 ( -7.720 -6.169 -3.181) 10.381 5.789 ( 2.808 -2.562 -18.627) 19.011 5.946 ( 3.109 9.115 -6.273) 11.493 6.058 ( 1.827 -6.516 -12.043) 13.814 6.211 ( 0.531 4.538 -4.920) 6.714 6.721 ( 0.610 -4.756 -4.886) 6.846 6.794 ( 3.296 5.348 -3.792) 7.338 7.118 ( -8.652 -3.757 -10.398) 14.039 7.345 ( -8.619 2.919 4.616) 10.204 7.565 ( 13.547 -0.720 -5.792) 14.751 8.107 ( 4.771 5.458 21.619) 22.802 8.364 ( -0.785 -6.043 4.863) 7.796 8.514 ( -15.960 3.355 8.120) 18.219 8.708 ( 4.898 -1.425 3.294) 6.072 9.345 ( -1.560 -15.108 7.417) 16.902 9.459 ( -6.614 6.219 3.677) 9.795 9.900 ( 9.166 5.979 -1.342) 11.026 10.076 ( 6.614 4.629 5.255) 9.633 10.237 ( -6.321 -4.184 7.273) 10.505 10.336 ( 0.008 1.469 6.300) 6.469 10.413 ( 10.762 4.226 3.158) 11.985 12.005 ( -3.183 -0.922 5.230) 6.192 12.191 ( 5.362 1.393 5.413) 7.745 12.603 ( -6.846 -2.464 8.055) 10.854 12.851 ( -1.903 2.423 -0.444) 3.113 12.889 ( 2.267 -2.186 -1.113) 3.340 14.798 ( -13.238 -8.499 -0.709) 15.747 15.100 ( 4.878 2.065 -3.841) 6.543 15.495 ( -13.243 2.573 -4.573) 14.244 15.533 ( 1.012 -8.208 -0.184) 8.272 15.759 ( 2.662 1.579 -24.843) 25.035 16.202 ( 11.078 5.955 1.475) 12.663 18.021 ( -6.163 -3.423 10.082) 12.303 ======================= Grid point 59 (25/60) ======================= q-point: ( 0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 14.547 -3.389 4.019) 15.468 0.886 ( -0.624 -3.938 6.190) 7.363 1.174 ( 3.430 -0.480 9.388) 10.006 1.442 ( -8.302 -1.869 7.805) 11.548 1.699 ( -7.938 -3.378 1.852) 8.823 1.825 ( 1.441 2.426 2.078) 3.505 1.855 ( -8.639 -3.215 -2.369) 9.517 2.068 ( 4.665 -0.065 0.808) 4.734 2.188 ( 7.944 -3.278 4.450) 9.677 2.337 ( 3.194 13.025 5.160) 14.370 2.468 ( -7.669 1.502 4.008) 8.782 2.544 ( 4.645 -0.796 -1.575) 4.969 2.759 ( 0.769 -4.147 1.089) 4.356 2.823 ( 10.087 1.347 12.310) 15.972 3.094 ( -4.983 -11.849 -3.399) 13.296 3.146 ( -18.333 0.534 -11.158) 21.468 3.486 ( 12.605 5.573 -7.832) 15.852 3.652 ( -1.768 3.095 -3.689) 5.129 3.749 ( 1.641 -1.247 -3.440) 4.010 3.923 ( -0.403 1.220 -5.576) 5.722 4.079 ( 14.319 0.346 -5.388) 15.304 4.438 ( -3.059 0.774 -8.602) 9.163 4.578 ( 12.379 4.229 -4.071) 13.701 4.768 ( -1.167 3.827 5.109) 6.490 4.848 ( -2.005 6.910 -8.840) 11.398 4.999 ( 10.845 8.214 -8.859) 16.234 5.271 ( -0.960 -0.385 -11.382) 11.429 5.453 ( 12.324 1.325 0.258) 12.397 5.617 ( 4.533 -1.337 -14.524) 15.273 5.860 ( 8.283 -9.696 -16.705) 21.016 5.976 ( 0.634 5.353 -3.386) 6.365 6.152 ( -6.830 3.106 -2.503) 7.909 6.572 ( -3.929 3.538 -9.317) 10.713 6.880 ( 8.817 -3.459 -1.248) 9.554 6.949 ( -1.414 3.842 -6.866) 7.994 7.337 ( -7.874 6.913 5.190) 11.693 7.669 ( 14.131 -0.853 -7.886) 16.205 8.224 ( -9.033 -8.373 11.547) 16.883 8.329 ( -9.542 -5.237 1.441) 10.980 8.621 ( -6.198 9.137 13.384) 17.350 8.810 ( 13.696 4.609 3.478) 14.863 9.276 ( -7.892 -6.729 3.283) 10.878 9.478 ( 1.737 -5.434 6.114) 8.362 9.896 ( -6.550 2.715 -0.958) 7.155 10.193 ( -1.119 -7.375 5.020) 8.991 10.221 ( -5.480 2.297 5.508) 8.102 10.473 ( -0.025 2.080 6.163) 6.504 10.706 ( 18.608 5.898 1.713) 19.595 12.045 ( -3.259 3.648 5.623) 7.453 12.322 ( 5.759 -6.058 3.973) 9.254 12.526 ( -8.827 0.761 3.469) 9.515 12.837 ( -2.127 -0.515 1.942) 2.926 12.969 ( 1.928 1.447 8.406) 8.744 14.557 ( -11.831 -9.295 4.756) 15.780 14.970 ( -2.912 -6.950 -17.658) 19.198 15.312 ( -5.064 9.981 -6.162) 12.776 15.491 ( 4.443 -8.878 -1.327) 10.016 15.656 ( 5.954 7.077 -10.179) 13.753 16.391 ( 6.818 4.130 0.236) 7.975 17.991 ( -8.105 -4.365 5.855) 10.909 ======================= Grid point 60 (26/60) ======================= q-point: (-0.43 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -5.696 -11.550 3.418) 13.325 0.940 ( 0.425 0.171 1.310) 1.387 1.232 ( -2.176 -2.294 8.303) 8.885 1.508 ( -2.240 2.823 6.796) 7.692 1.633 ( -1.504 -1.705 2.819) 3.621 1.799 ( 1.912 0.117 4.504) 4.895 1.864 ( 1.118 3.301 -0.370) 3.504 2.140 ( -0.558 -1.962 0.526) 2.106 2.234 ( -3.497 -2.264 2.234) 4.727 2.452 ( 3.014 -1.696 0.881) 3.569 2.473 ( 3.716 7.238 -2.783) 8.599 2.646 ( -3.380 -3.534 3.370) 5.939 2.725 ( -5.893 4.892 -1.904) 7.892 2.852 ( 0.193 -2.463 -1.932) 3.136 2.930 ( 2.089 0.396 2.679) 3.420 3.223 ( 9.594 3.302 17.806) 20.494 3.422 ( -4.240 -1.094 -15.391) 16.001 3.658 ( 7.984 -4.944 -4.404) 10.373 3.770 ( 6.569 6.955 -1.643) 9.707 3.924 ( 6.233 2.378 -1.602) 6.861 4.094 ( -0.490 -2.246 -8.146) 8.464 4.438 ( 1.543 10.084 0.322) 10.206 4.689 ( 3.547 -1.971 -12.707) 13.339 4.794 ( 11.265 2.482 1.789) 11.673 4.809 ( -4.667 10.854 -1.814) 11.953 4.983 ( 1.471 0.700 -5.277) 5.523 5.312 ( 13.968 -1.217 -5.457) 15.045 5.513 ( 4.845 4.280 -10.056) 11.954 5.729 ( 13.855 3.441 1.490) 14.354 5.789 ( 13.679 -1.404 -11.151) 17.704 5.967 ( -4.525 -6.663 5.723) 9.880 6.036 ( -4.564 5.705 -1.961) 7.565 6.498 ( 4.766 5.904 -9.372) 12.058 6.869 ( -0.616 11.097 -9.545) 14.650 6.994 ( 6.060 -1.444 2.951) 6.893 7.371 ( 0.218 8.291 0.233) 8.298 7.738 ( 10.567 -3.781 -7.398) 13.443 8.120 ( -10.656 -8.505 3.697) 14.126 8.151 ( -5.873 -2.447 -4.200) 7.624 8.678 ( -8.078 -1.133 12.227) 14.698 9.094 ( -8.778 -4.264 -0.493) 9.771 9.214 ( 12.893 10.186 9.680) 19.070 9.580 ( 5.444 -6.674 8.077) 11.807 9.790 ( -11.685 2.127 1.829) 12.017 10.126 ( -7.721 -7.601 3.909) 11.518 10.207 ( -3.574 -2.227 1.804) 4.581 10.419 ( -8.627 -0.532 -3.341) 9.267 11.043 ( 16.756 4.220 3.622) 17.654 12.075 ( -8.855 10.146 1.833) 13.591 12.290 ( 0.699 -16.976 2.230) 17.136 12.565 ( 2.827 7.116 1.486) 7.800 12.856 ( 0.070 -1.573 4.318) 4.596 13.174 ( 0.640 2.719 20.010) 20.204 14.438 ( -8.529 -6.363 0.999) 10.688 14.613 ( 2.022 -5.085 -19.304) 20.065 15.272 ( -3.763 10.741 -4.980) 12.423 15.474 ( 5.350 -8.665 -1.268) 10.262 15.726 ( 8.013 7.116 -5.434) 12.016 16.455 ( -0.089 0.836 -0.699) 1.093 17.862 ( -10.704 -5.895 1.703) 12.338 ======================= Grid point 61 (27/60) ======================= q-point: (-0.29 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -9.706 -9.262 1.778) 13.533 0.780 ( -12.285 -8.113 -1.506) 14.799 1.373 ( 2.527 -0.416 6.314) 6.813 1.511 ( -2.581 1.962 0.513) 3.282 1.666 ( 2.315 2.073 -1.164) 3.318 1.831 ( -14.635 -9.638 2.444) 17.693 1.921 ( -0.109 1.802 -0.715) 1.942 2.006 ( 2.219 1.035 -3.034) 3.899 2.202 ( -1.553 5.556 1.110) 5.875 2.399 ( 2.626 -2.073 -6.948) 7.711 2.505 ( 1.053 -3.087 1.539) 3.606 2.628 ( 3.214 -2.679 -0.676) 4.239 2.741 ( -5.796 -1.510 5.534) 8.155 2.927 ( 6.446 5.973 8.362) 12.130 3.123 ( -0.368 7.131 -11.792) 13.785 3.272 ( 12.545 6.489 5.093) 15.014 3.539 ( 1.516 -4.275 -7.540) 8.800 3.626 ( 6.954 -4.639 13.598) 15.963 3.861 ( 1.978 0.834 -2.368) 3.196 3.960 ( -0.681 4.174 -6.942) 8.129 4.109 ( 4.800 10.472 2.814) 11.858 4.435 ( -2.624 2.639 -4.221) 5.627 4.571 ( 8.094 -1.344 -13.462) 15.766 4.839 ( -1.653 -5.349 -2.186) 6.010 4.952 ( 7.100 10.773 5.014) 13.842 5.097 ( 7.838 4.716 1.360) 9.248 5.456 ( 16.250 1.460 1.734) 16.407 5.553 ( 7.181 1.616 -7.668) 10.630 5.815 ( 4.416 -0.637 -3.386) 5.601 5.826 ( 0.673 6.992 -2.218) 7.366 6.011 ( -0.270 -0.542 5.336) 5.370 6.085 ( 9.344 -1.283 -0.501) 9.445 6.603 ( 11.700 8.008 -0.053) 14.178 6.839 ( -3.309 13.793 -6.140) 15.456 7.162 ( 10.639 4.505 1.816) 11.695 7.482 ( 4.306 -0.893 2.309) 4.967 7.703 ( 5.111 -0.282 -8.825) 10.202 7.858 ( -8.948 -5.739 -9.086) 13.984 8.078 ( -2.581 -2.159 1.309) 3.611 8.633 ( -14.599 -6.336 9.133) 18.349 8.996 ( -1.397 -1.977 1.869) 3.058 9.539 ( 0.881 3.528 6.770) 7.685 9.650 ( -7.053 4.295 6.169) 10.308 9.724 ( 6.231 -5.249 5.063) 9.593 9.887 ( -16.273 -6.124 -5.823) 18.336 10.148 ( 0.996 -2.924 -4.519) 5.474 10.272 ( -5.072 -3.373 2.575) 6.613 11.334 ( 11.715 4.437 4.678) 13.372 11.961 ( -9.887 5.750 -9.922) 15.142 12.205 ( -2.806 -13.175 6.534) 14.972 12.686 ( 6.652 5.972 -2.552) 9.297 12.898 ( 0.421 0.283 1.873) 1.941 13.580 ( 7.839 4.724 23.991) 25.678 13.983 ( -10.742 -6.974 -27.126) 29.997 14.674 ( 5.277 2.623 10.229) 11.805 15.267 ( -1.424 9.020 -1.587) 9.269 15.456 ( 4.636 -7.653 -2.746) 9.360 15.823 ( 6.525 4.071 -3.855) 8.603 16.404 ( -5.463 -2.433 1.242) 6.107 17.649 ( -12.549 -7.121 0.395) 14.434 ======================= Grid point 62 (28/60) ======================= q-point: (-0.14 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -9.935 -6.467 -0.959) 11.893 0.512 ( -10.275 -11.080 4.109) 15.660 1.240 ( -25.694 -12.245 6.082) 29.105 1.437 ( -0.064 -0.083 -8.134) 8.135 1.634 ( -3.517 0.044 5.841) 6.818 1.697 ( 2.913 2.467 -0.171) 3.821 1.945 ( 5.458 -2.428 -6.643) 8.933 2.074 ( 5.331 2.377 -3.020) 6.572 2.255 ( -2.169 8.112 -5.557) 10.070 2.382 ( -0.837 -2.080 -1.939) 2.964 2.482 ( 5.814 -5.246 -4.925) 9.251 2.541 ( -1.236 -2.191 -4.199) 4.895 2.624 ( -3.963 -6.317 -1.406) 7.588 3.130 ( 3.294 8.842 -4.188) 10.323 3.211 ( 2.294 8.098 8.175) 11.733 3.386 ( 3.499 -6.184 -2.523) 7.540 3.612 ( 10.794 2.277 12.316) 16.534 3.706 ( -1.645 4.782 -5.268) 7.302 3.922 ( 1.820 1.756 -0.322) 2.549 3.961 ( 2.201 -1.624 3.828) 4.705 4.148 ( -2.982 7.996 -6.268) 10.589 4.439 ( 6.238 -6.616 -8.949) 12.758 4.549 ( 5.794 2.522 -0.900) 6.383 4.700 ( -6.199 -4.720 -1.925) 8.026 5.185 ( 4.976 10.339 1.965) 11.641 5.313 ( 14.546 0.934 3.862) 15.078 5.504 ( 4.356 -5.818 -10.330) 12.630 5.623 ( -2.981 8.744 -1.433) 9.348 5.818 ( 2.898 1.697 -1.799) 3.810 5.979 ( 1.400 7.535 -1.305) 7.774 6.075 ( 11.590 -4.177 2.809) 12.635 6.271 ( 10.737 6.556 6.496) 14.159 6.778 ( -4.648 6.937 5.836) 10.188 6.966 ( 13.564 8.175 -5.845) 16.881 7.280 ( 6.535 -0.050 -8.606) 10.806 7.414 ( -1.489 -6.186 -6.218) 8.897 7.617 ( -2.406 2.505 2.264) 4.146 7.874 ( 10.460 7.989 4.188) 13.812 8.012 ( -5.985 -4.173 -0.026) 7.296 8.445 ( -15.825 -7.113 5.628) 18.241 8.927 ( -6.674 -4.082 -4.176) 8.868 9.461 ( -13.056 -16.517 -6.734) 22.105 9.475 ( -11.217 1.321 3.486) 11.820 9.762 ( -0.237 0.897 7.157) 7.217 9.935 ( 8.952 3.576 4.940) 10.832 10.093 ( 4.932 1.535 -5.355) 7.441 10.284 ( 1.795 -3.117 3.958) 5.348 11.370 ( -13.491 -3.323 -29.222) 32.357 11.742 ( 3.868 1.359 -1.896) 4.517 12.143 ( -6.108 -7.446 6.544) 11.644 12.743 ( 0.299 6.423 -12.292) 13.872 12.905 ( -0.793 0.906 -3.509) 3.710 13.107 ( -13.249 -9.763 -29.478) 33.761 14.407 ( 19.833 9.861 36.247) 42.478 14.920 ( 3.664 13.165 3.706) 14.159 15.359 ( 1.356 3.290 -1.208) 3.758 15.449 ( 8.206 -8.199 9.255) 14.840 15.916 ( 6.822 5.163 4.545) 9.688 16.314 ( -7.949 -5.049 4.190) 10.308 17.453 ( -9.858 -5.666 5.804) 12.766 ======================= Grid point 65 (29/60) ======================= q-point: ( 0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -5.808 3.967 -8.722) 11.204 0.965 ( 3.580 -2.601 13.553) 14.257 1.050 ( -6.122 -1.614 14.869) 16.161 1.607 ( 1.197 1.231 6.996) 7.204 1.759 ( 0.535 -8.295 2.671) 8.731 1.845 ( 3.618 1.474 -1.132) 4.067 1.956 ( -4.718 -4.860 3.034) 7.422 2.050 ( -0.788 -1.040 1.935) 2.334 2.149 ( 8.761 -0.019 -4.930) 10.053 2.222 ( -3.191 6.762 5.251) 9.137 2.335 ( -2.840 11.056 4.035) 12.107 2.604 ( 0.996 -7.016 9.252) 11.654 2.666 ( -1.198 2.617 7.836) 8.348 2.901 ( -8.408 -0.462 -5.248) 9.922 3.052 ( 6.331 4.350 -9.274) 12.042 3.297 ( -1.008 -16.023 -10.238) 19.041 3.572 ( 3.435 1.232 -1.518) 3.952 3.634 ( -1.367 2.478 -3.625) 4.599 3.711 ( -0.693 6.031 -1.872) 6.353 3.762 ( 3.093 5.041 -4.450) 7.402 4.045 ( -12.619 -0.587 -13.881) 18.769 4.220 ( 10.669 4.007 -2.930) 11.767 4.448 ( -1.681 12.539 -10.186) 16.242 4.700 ( 4.555 0.041 0.890) 4.641 4.781 ( -0.831 2.636 -10.633) 10.986 4.912 ( 0.198 7.112 -5.080) 8.742 5.248 ( -0.132 -2.934 -5.406) 6.152 5.396 ( 1.845 -8.711 -13.613) 16.267 5.667 ( -12.026 2.297 -13.022) 17.874 5.715 ( 6.235 5.598 -15.263) 17.412 5.859 ( -3.498 -4.140 -11.766) 12.954 6.112 ( 4.338 9.590 -12.414) 16.276 6.634 ( 1.590 -9.041 -6.538) 11.270 6.892 ( -3.190 14.641 2.090) 15.129 7.044 ( 2.210 5.598 -7.632) 9.719 7.352 ( 4.135 -12.205 3.515) 13.357 7.520 ( -3.712 -1.023 2.511) 4.597 8.295 ( 0.240 4.662 10.598) 11.580 8.440 ( -3.762 -14.054 12.504) 19.184 8.565 ( 5.709 -5.089 4.076) 8.667 8.829 ( 1.257 8.349 0.985) 8.500 9.321 ( -3.690 -18.380 7.849) 20.324 9.599 ( -1.195 -1.766 4.629) 5.096 9.908 ( 3.081 8.413 0.825) 8.997 10.118 ( -0.200 6.192 3.867) 7.303 10.374 ( 2.877 1.793 4.467) 5.608 10.412 ( -5.279 4.918 7.033) 10.075 10.504 ( 1.115 6.204 12.377) 13.890 12.028 ( 0.983 -9.831 5.626) 11.369 12.276 ( -1.250 6.677 4.130) 7.949 12.751 ( -3.030 -3.232 6.329) 7.726 12.800 ( 5.081 -2.617 0.076) 5.716 12.927 ( -0.990 3.703 4.813) 6.153 14.878 ( 0.581 -6.009 0.074) 6.037 14.993 ( -4.938 -2.698 -4.610) 7.274 15.259 ( 4.985 -13.936 -14.995) 21.068 15.439 ( -0.007 -0.371 -14.552) 14.557 15.635 ( -1.522 4.694 -3.860) 6.264 16.235 ( 0.173 12.704 2.559) 12.961 18.125 ( 0.109 -5.045 5.806) 7.692 ======================= Grid point 66 (30/60) ======================= q-point: ( 0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 7.822 4.914 0.583) 9.256 1.075 ( -8.413 -0.074 13.567) 15.964 1.213 ( 5.794 -5.422 12.945) 15.183 1.586 ( -6.125 -5.232 2.561) 8.453 1.775 ( -4.829 -5.758 1.509) 7.665 1.826 ( -0.800 -0.434 -1.242) 1.540 1.896 ( -0.582 3.616 -1.812) 4.086 2.098 ( 0.286 2.497 5.354) 5.915 2.129 ( 2.745 -4.549 4.477) 6.948 2.389 ( 8.541 3.037 -3.987) 9.902 2.425 ( -1.298 -1.603 -8.027) 8.288 2.527 ( 6.856 4.793 -0.144) 8.366 2.690 ( -4.797 -1.382 -2.575) 5.617 2.915 ( -1.406 -9.694 -4.243) 10.675 3.033 ( 2.032 -1.313 18.352) 18.511 3.191 ( 12.606 1.355 -10.964) 16.761 3.376 ( -16.177 5.440 -0.816) 17.086 3.697 ( -2.900 5.183 -3.786) 7.044 3.731 ( -8.212 0.871 -0.976) 8.316 3.826 ( 3.798 2.916 -2.392) 5.353 3.878 ( 11.595 4.457 -1.754) 12.545 4.361 ( 0.543 1.068 -9.255) 9.332 4.377 ( 11.275 -0.232 -2.700) 11.596 4.789 ( 3.486 9.166 -5.863) 11.426 4.799 ( 11.386 13.644 -8.596) 19.740 4.903 ( -0.301 8.291 -0.880) 8.343 5.151 ( -3.064 0.531 -11.818) 12.220 5.267 ( 6.312 -4.460 -5.041) 9.228 5.408 ( 4.197 -4.654 -5.195) 8.140 5.522 ( -1.080 3.567 -16.784) 17.193 5.800 ( 7.447 -0.644 -8.895) 11.618 6.125 ( 4.956 11.257 -10.478) 16.157 6.437 ( -0.916 -5.541 -12.583) 13.780 6.940 ( -4.901 21.958 -5.277) 23.109 7.069 ( -7.168 0.089 7.800) 10.594 7.364 ( 9.674 -1.584 -8.051) 12.685 7.504 ( -1.058 -11.139 8.251) 13.902 8.269 ( -1.689 -9.785 -6.362) 11.793 8.413 ( -8.345 -9.419 8.672) 15.283 8.764 ( 6.393 6.551 5.512) 10.685 8.887 ( 0.129 1.134 7.346) 7.434 9.303 ( 1.842 -15.670 11.412) 19.473 9.522 ( -4.688 -7.062 2.771) 8.918 10.022 ( -0.719 6.949 1.349) 7.115 10.183 ( -2.866 -2.261 3.334) 4.944 10.435 ( -5.589 1.605 6.408) 8.653 10.580 ( 8.275 10.572 6.525) 14.926 10.676 ( -5.210 7.707 5.468) 10.791 12.062 ( 5.907 -12.129 6.386) 14.926 12.324 ( -2.872 1.745 0.726) 3.438 12.676 ( -6.797 2.245 1.328) 7.281 12.857 ( 0.981 -1.062 0.988) 1.751 13.102 ( 3.523 3.112 12.940) 13.767 14.672 ( -4.934 -7.292 -22.473) 24.136 14.747 ( -11.361 -7.951 6.787) 15.439 15.222 ( 11.140 -9.780 -2.305) 15.002 15.344 ( 3.094 5.156 -8.244) 10.204 15.567 ( -1.627 5.659 -6.701) 8.921 16.398 ( 2.997 9.296 2.413) 10.061 18.103 ( -4.886 -4.998 2.804) 7.531 ======================= Grid point 67 (31/60) ======================= q-point: (-0.43 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 4.618 -5.946 5.059) 9.071 1.050 ( -7.756 2.948 -0.231) 8.301 1.338 ( -2.687 -1.338 4.650) 5.534 1.547 ( 0.612 -0.117 -1.490) 1.615 1.670 ( -2.719 -3.831 0.284) 4.706 1.868 ( 0.213 3.965 1.819) 4.368 1.888 ( 0.919 2.645 7.967) 8.445 2.071 ( -3.196 -5.010 -8.339) 10.239 2.229 ( 6.587 -3.355 -1.552) 7.554 2.299 ( 4.517 -5.398 -2.167) 7.364 2.482 ( 1.067 2.096 -3.116) 3.904 2.586 ( -0.955 -3.881 -3.109) 5.063 2.667 ( 14.643 6.103 -6.937) 17.314 2.878 ( 1.743 7.109 8.943) 11.556 3.151 ( -9.849 -7.210 -2.872) 12.540 3.222 ( 1.920 2.535 -2.107) 3.815 3.352 ( 4.613 -0.906 14.349) 15.099 3.549 ( -8.337 -4.333 -0.442) 9.406 3.763 ( 2.492 10.555 0.073) 10.845 3.865 ( 4.227 6.369 -2.245) 7.967 4.035 ( 3.591 6.397 -2.838) 7.865 4.279 ( 8.133 -0.327 -11.347) 13.964 4.568 ( 7.223 8.341 -0.817) 11.064 4.703 ( 0.503 -3.440 -2.529) 4.299 4.900 ( 3.404 -1.202 -2.270) 4.265 4.983 ( -5.713 12.550 -1.985) 13.932 5.055 ( 8.569 5.699 -7.727) 12.869 5.363 ( 7.088 4.808 -7.461) 11.359 5.469 ( 16.628 0.380 0.845) 16.654 5.558 ( 11.738 5.246 0.219) 12.858 5.825 ( 13.138 -1.246 -4.369) 13.901 6.131 ( -1.131 7.820 -6.080) 9.970 6.267 ( 4.333 -3.198 -10.578) 11.870 6.987 ( -3.026 7.368 0.210) 7.968 7.071 ( -6.001 15.316 2.734) 16.675 7.378 ( 5.137 7.452 -9.690) 13.259 7.513 ( 3.811 -14.177 5.299) 15.607 8.026 ( -2.632 -5.980 -14.450) 15.859 8.273 ( -10.649 -5.025 1.127) 11.829 8.808 ( -1.054 -8.871 6.069) 10.800 9.152 ( 9.567 1.866 8.102) 12.675 9.275 ( -6.438 -10.505 8.771) 15.124 9.573 ( 7.006 -2.197 7.850) 10.749 10.045 ( -9.055 6.291 3.886) 11.691 10.082 ( -3.819 -12.221 1.099) 12.851 10.404 ( -11.472 0.655 4.588) 12.373 10.551 ( -16.010 1.168 -3.030) 16.336 10.935 ( 14.807 13.957 2.902) 20.554 12.101 ( 5.379 -20.668 1.261) 21.393 12.255 ( -5.578 5.842 -0.453) 8.090 12.652 ( -4.260 6.064 0.697) 7.443 12.883 ( 1.097 -1.573 2.549) 3.190 13.353 ( 6.890 2.807 9.471) 12.044 14.250 ( -7.038 -5.198 -20.239) 22.050 14.701 ( -6.970 -3.286 15.079) 16.934 15.240 ( 9.074 -11.193 -4.151) 14.995 15.355 ( -1.571 11.489 -4.240) 12.347 15.569 ( 8.067 3.459 -5.318) 10.263 16.499 ( -0.855 4.193 2.072) 4.755 17.980 ( -9.255 -4.971 0.465) 10.516 ======================= Grid point 68 (32/60) ======================= q-point: (-0.29 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -8.304 -2.712 -4.234) 9.707 0.904 ( -13.658 -4.370 0.730) 14.359 1.381 ( 2.570 0.350 -0.553) 2.652 1.472 ( 3.989 2.759 -9.827) 10.959 1.613 ( -0.378 -2.149 -0.834) 2.336 1.831 ( -1.690 -0.885 -15.459) 15.577 1.972 ( -0.809 2.033 3.306) 3.964 2.082 ( -3.630 1.521 6.012) 7.186 2.191 ( 8.364 -3.354 -3.933) 9.832 2.273 ( 0.823 -7.425 2.297) 7.816 2.425 ( -4.032 -3.292 0.857) 5.275 2.559 ( 0.740 5.108 -7.127) 8.800 2.852 ( -3.375 -0.005 0.352) 3.394 2.908 ( 4.912 -0.532 -4.170) 6.466 3.129 ( 6.384 5.759 6.639) 10.863 3.297 ( 0.644 -1.430 5.489) 5.709 3.406 ( -1.086 0.648 -2.125) 2.473 3.570 ( 11.525 -6.505 4.848) 14.094 3.839 ( 1.555 9.116 -1.402) 9.353 3.998 ( -0.728 4.506 -4.060) 6.109 4.125 ( 9.272 14.583 -2.006) 17.397 4.254 ( 3.954 5.419 -6.833) 9.575 4.474 ( -7.451 -1.915 -0.706) 7.725 4.804 ( 0.503 -2.924 1.075) 3.156 4.986 ( 6.956 6.431 0.760) 9.504 5.047 ( 12.637 -5.096 -6.623) 15.150 5.216 ( 10.754 16.991 6.903) 21.260 5.396 ( 5.793 -0.053 -4.106) 7.100 5.666 ( 7.614 4.742 -5.256) 10.397 5.788 ( 10.351 2.699 3.826) 11.361 6.020 ( 6.750 -4.468 7.015) 10.711 6.095 ( -2.156 4.374 -0.041) 4.876 6.341 ( 20.969 3.954 -0.584) 21.346 6.988 ( 1.332 2.344 -5.260) 5.911 7.159 ( -7.006 8.644 2.433) 11.390 7.444 ( 4.554 -0.698 2.687) 5.334 7.520 ( 7.215 7.139 -4.333) 11.036 7.758 ( -3.107 2.038 -17.120) 17.518 8.130 ( -4.114 -1.900 -0.158) 4.534 8.781 ( -0.811 -12.802 3.913) 13.411 9.086 ( -12.779 -5.359 5.475) 14.900 9.474 ( 14.043 -3.503 4.769) 15.239 9.760 ( 2.240 5.172 6.104) 8.309 9.866 ( -11.312 -14.541 6.264) 19.459 10.043 ( -4.113 0.014 -7.515) 8.567 10.135 ( -22.053 -0.818 3.306) 22.315 10.334 ( -7.196 -4.196 -1.000) 8.389 11.272 ( 12.254 13.128 0.806) 17.977 11.865 ( -5.585 -13.765 -11.637) 18.870 12.275 ( -2.089 -1.776 4.562) 5.323 12.672 ( 0.090 6.728 -0.438) 6.743 12.905 ( 0.476 -2.274 1.234) 2.630 13.378 ( -0.772 -7.136 -21.219) 22.400 14.074 ( 1.703 7.015 8.089) 10.842 14.866 ( -0.857 2.940 17.624) 17.888 15.198 ( 8.324 -10.877 -6.799) 15.291 15.383 ( -2.565 10.559 0.499) 10.878 15.698 ( 10.447 2.601 -0.576) 10.781 16.505 ( -4.864 -0.106 3.346) 5.905 17.790 ( -11.775 -4.538 0.579) 12.633 ======================= Grid point 69 (33/60) ======================= q-point: (-0.14 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -5.995 1.512 -1.304) 6.319 0.670 ( -14.993 -3.219 4.164) 15.890 1.310 ( -0.021 -1.875 -11.877) 12.024 1.504 ( -0.152 -1.220 -9.417) 9.496 1.555 ( -4.481 -4.960 5.610) 8.727 1.627 ( 6.559 3.142 -9.643) 12.078 1.914 ( -7.551 0.757 1.748) 7.787 2.057 ( -1.940 2.012 -0.204) 2.803 2.225 ( 8.506 -16.748 -0.768) 18.800 2.321 ( -8.900 6.639 -2.410) 11.362 2.386 ( 7.115 3.370 2.334) 8.211 2.532 ( -3.490 0.234 2.026) 4.042 2.696 ( -7.839 -1.359 1.311) 8.064 2.926 ( 4.985 -6.631 -13.515) 15.858 3.223 ( 7.047 3.436 -3.586) 8.621 3.394 ( 1.178 6.359 3.930) 7.568 3.507 ( 10.049 -3.578 -1.040) 10.717 3.735 ( 8.134 2.435 -1.492) 8.620 3.867 ( -4.227 -0.254 3.231) 5.326 3.992 ( 3.464 13.232 -2.213) 13.856 4.206 ( -1.270 3.567 -5.583) 6.746 4.257 ( -1.033 2.251 -3.106) 3.973 4.549 ( 1.525 0.714 7.525) 7.711 4.726 ( -3.133 1.244 -0.350) 3.389 5.134 ( 13.044 -1.925 -0.135) 13.186 5.168 ( 7.166 0.566 -1.993) 7.460 5.346 ( 1.393 3.294 -3.293) 4.862 5.599 ( 6.537 3.597 -4.006) 8.469 5.737 ( 10.364 7.402 -2.427) 12.965 5.914 ( 2.402 5.491 0.383) 6.005 6.060 ( 1.167 1.220 0.738) 1.842 6.255 ( 7.313 -5.703 8.830) 12.805 6.769 ( 18.750 -2.084 9.439) 21.095 6.958 ( 1.054 9.036 -4.956) 10.360 7.035 ( 0.290 0.816 -10.666) 10.701 7.351 ( -7.076 -4.277 -6.636) 10.602 7.676 ( 3.570 12.522 -1.582) 13.117 7.844 ( 12.293 12.910 6.242) 18.887 8.091 ( -3.993 -1.962 2.422) 5.065 8.604 ( -10.802 -13.227 -2.157) 17.213 8.955 ( -6.904 -4.995 0.812) 8.560 9.429 ( -14.386 -7.638 -11.739) 20.077 9.644 ( -11.024 -7.260 1.017) 13.239 9.838 ( 5.335 -6.011 6.478) 10.323 9.921 ( 4.758 5.468 3.651) 8.116 10.107 ( -7.357 4.641 4.730) 9.901 10.243 ( 0.993 -7.882 3.337) 8.617 11.261 ( -17.738 -2.221 -20.184) 26.962 11.665 ( 7.817 5.175 -0.349) 9.381 12.254 ( -4.820 -4.764 4.649) 8.218 12.731 ( -2.026 7.985 -3.051) 8.785 12.863 ( -5.915 -4.833 -7.651) 10.811 12.934 ( -2.154 -8.532 -7.077) 11.293 14.410 ( 17.171 3.794 6.133) 18.624 15.069 ( 0.494 12.157 2.608) 12.443 15.164 ( 7.524 -6.246 -4.375) 10.712 15.520 ( 3.732 -0.121 11.517) 12.107 15.859 ( 8.762 4.335 -0.532) 9.790 16.461 ( -7.340 -1.929 4.580) 8.864 17.645 ( -8.135 -2.483 7.186) 11.135 ======================= Grid point 72 (34/60) ======================= q-point: ( 0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -10.347 13.500 -6.508) 18.211 1.083 ( 4.656 -1.850 13.198) 14.117 1.293 ( -2.796 -2.126 11.194) 11.732 1.596 ( 7.420 -5.054 6.683) 11.192 1.733 ( -0.017 -2.398 3.220) 4.015 1.789 ( 4.109 -4.804 0.534) 6.344 1.914 ( 5.082 -0.515 -6.236) 8.061 2.047 ( -3.785 -0.844 1.506) 4.160 2.159 ( -6.648 3.504 4.122) 8.571 2.373 ( -4.535 -1.031 4.440) 6.430 2.432 ( 2.409 -7.661 -7.509) 10.994 2.475 ( -3.909 9.713 -2.848) 10.850 2.802 ( 6.125 -3.040 -12.407) 14.166 2.939 ( 1.950 -7.921 -7.111) 10.822 3.035 ( -3.559 2.938 19.442) 19.982 3.156 ( -13.931 3.902 -0.558) 14.478 3.418 ( 13.486 5.626 0.565) 14.623 3.616 ( 3.729 -5.175 0.460) 6.396 3.688 ( -4.079 3.721 -6.854) 8.801 3.951 ( 9.202 6.026 -6.925) 12.997 3.981 ( -14.054 8.802 4.112) 17.085 4.270 ( -12.764 6.851 -8.704) 16.900 4.380 ( 1.332 5.247 -9.183) 10.660 4.556 ( -7.078 -9.550 -11.188) 16.324 4.777 ( 1.068 6.699 -0.396) 6.796 4.919 ( -3.285 8.678 -7.327) 11.823 5.147 ( 3.650 -1.564 -4.165) 5.755 5.295 ( -10.271 3.020 -5.952) 12.249 5.548 ( -1.342 11.376 -12.038) 16.618 5.666 ( -16.024 -7.226 -15.109) 23.179 5.793 ( 0.456 6.761 -9.239) 11.458 6.062 ( -5.300 7.769 -3.270) 9.957 6.428 ( 2.431 -5.362 -8.100) 10.013 6.871 ( 10.425 9.158 -12.293) 18.538 7.059 ( 1.749 14.914 0.957) 15.046 7.253 ( 2.265 -23.301 6.194) 24.216 7.606 ( -7.778 4.481 -1.082) 9.041 8.311 ( 2.193 -10.870 -0.262) 11.093 8.442 ( 7.626 -5.352 2.080) 9.546 8.704 ( -3.933 -5.576 18.470) 19.690 8.818 ( -1.229 4.555 2.207) 5.208 9.298 ( 1.500 -13.148 3.751) 13.755 9.646 ( -0.931 -3.865 4.373) 5.910 9.884 ( 4.912 -0.281 1.170) 5.057 10.249 ( -1.051 5.477 5.136) 7.582 10.401 ( 3.724 0.651 4.175) 5.632 10.597 ( 6.397 0.741 10.522) 12.337 10.724 ( -7.074 18.369 3.864) 20.059 11.992 ( -0.876 -14.203 3.581) 14.674 12.393 ( -3.553 3.763 1.690) 5.445 12.681 ( 11.203 -0.250 4.116) 11.938 12.844 ( -3.247 0.661 1.951) 3.846 13.064 ( -2.200 -0.047 11.311) 11.523 14.714 ( 3.941 -0.740 -11.203) 11.898 14.844 ( 13.904 -10.414 -8.555) 19.364 15.045 ( -8.483 -4.814 -5.446) 11.171 15.373 ( -8.928 -1.325 -4.410) 10.046 15.628 ( 1.371 6.226 -3.170) 7.120 16.382 ( -2.593 8.907 1.600) 9.414 18.099 ( 5.031 -5.227 2.866) 7.801 ======================= Grid point 73 (35/60) ======================= q-point: ( 0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -2.958 11.113 -7.323) 13.634 1.196 ( -0.654 -7.231 1.500) 7.414 1.377 ( -0.980 0.272 11.664) 11.708 1.655 ( -3.415 -3.043 1.119) 4.709 1.723 ( -4.143 -3.822 -2.665) 6.234 1.842 ( 7.020 -1.093 -2.223) 7.445 1.917 ( 1.733 5.797 -1.895) 6.340 2.032 ( 6.529 -4.561 -0.127) 7.966 2.169 ( -1.600 -2.759 -15.308) 15.637 2.208 ( -0.900 2.431 7.275) 7.723 2.302 ( -3.046 -10.748 0.358) 11.177 2.551 ( -1.614 8.600 0.030) 8.750 2.627 ( 0.201 -7.640 -6.466) 10.011 2.889 ( -1.493 0.763 -0.681) 1.810 2.957 ( -0.330 0.851 -3.091) 3.223 3.261 ( -2.140 -3.313 10.955) 11.643 3.595 ( -6.575 5.958 -0.338) 8.879 3.648 ( 7.633 -0.037 -2.666) 8.085 3.709 ( 7.689 6.183 2.300) 10.131 3.929 ( -5.172 6.252 1.229) 8.207 3.991 ( -14.326 11.739 3.665) 18.880 4.153 ( 11.996 -3.351 -3.703) 12.994 4.270 ( -4.928 0.318 -7.527) 9.003 4.556 ( 19.002 8.079 -6.387) 21.613 4.811 ( -1.386 7.725 -3.791) 8.716 4.939 ( 2.328 8.452 -0.303) 8.772 5.140 ( -4.306 9.531 -4.413) 11.351 5.163 ( -4.978 -2.011 -10.048) 11.392 5.234 ( -1.364 -2.853 -3.367) 4.620 5.479 ( -0.255 6.633 -3.624) 7.562 5.724 ( -5.733 4.921 -5.479) 9.333 6.047 ( -1.058 15.704 -7.770) 17.553 6.285 ( -2.610 -0.292 -10.026) 10.364 6.955 ( 10.162 18.991 -16.599) 27.193 7.182 ( 2.911 -20.951 10.634) 23.675 7.242 ( 2.869 12.989 -2.828) 13.599 7.483 ( -5.088 -6.827 0.330) 8.521 8.150 ( -5.719 -11.067 -6.074) 13.859 8.479 ( 0.963 -3.632 -1.738) 4.140 8.832 ( 4.442 -16.294 8.571) 18.940 8.891 ( -2.265 7.950 9.092) 12.288 9.292 ( 4.437 -14.407 9.861) 18.013 9.552 ( -5.141 -13.346 5.194) 15.216 10.013 ( 6.269 6.378 -2.268) 9.226 10.330 ( -5.888 1.108 6.478) 8.824 10.486 ( 4.894 -0.741 3.052) 5.815 10.751 ( -4.421 18.673 2.034) 19.297 10.888 ( -1.602 5.639 6.182) 8.519 11.911 ( 4.276 -19.335 2.470) 19.955 12.380 ( -2.451 1.077 -0.171) 2.683 12.795 ( -2.098 1.081 2.070) 3.139 12.841 ( -0.088 0.868 1.273) 1.543 13.212 ( 2.593 -0.654 10.456) 10.793 14.411 ( -3.559 -1.771 -22.097) 22.452 14.883 ( 0.556 -4.305 1.041) 4.464 14.959 ( 7.156 -9.158 0.332) 11.627 15.280 ( -1.931 2.869 0.450) 3.487 15.595 ( -4.157 6.070 -4.458) 8.602 16.481 ( 1.035 8.073 2.598) 8.543 18.117 ( 0.166 -4.726 0.397) 4.746 ======================= Grid point 74 (36/60) ======================= q-point: (-0.43 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 9.475 4.928 3.719) 11.309 1.104 ( -2.832 4.509 -6.594) 8.475 1.371 ( -6.423 -1.806 -4.215) 7.892 1.534 ( -3.275 -3.996 -9.194) 10.547 1.664 ( -1.207 2.735 0.744) 3.081 1.771 ( 7.151 -2.694 -11.442) 13.759 1.894 ( 2.920 -5.002 -11.902) 13.236 2.045 ( -5.515 -2.263 4.021) 7.191 2.074 ( 2.417 -1.798 -2.990) 4.245 2.304 ( 13.100 -1.315 4.535) 13.925 2.361 ( -1.660 -0.987 13.325) 13.465 2.485 ( -1.269 -1.871 -0.472) 2.310 2.673 ( 0.646 8.504 3.374) 9.171 2.890 ( 3.485 -2.671 -3.894) 5.869 3.032 ( 4.939 6.382 4.780) 9.379 3.275 ( 2.470 -9.361 1.361) 9.776 3.457 ( -6.790 -0.202 -4.573) 8.189 3.742 ( -9.477 -2.221 -2.517) 10.054 3.783 ( 2.595 9.008 -5.157) 10.699 3.824 ( -0.549 7.163 1.248) 7.292 4.037 ( -0.271 3.852 -0.013) 3.862 4.247 ( -0.372 10.288 6.517) 12.184 4.412 ( 18.308 3.955 2.018) 18.838 4.615 ( 2.858 -8.270 -6.273) 10.766 4.850 ( -5.392 3.666 -2.776) 7.087 4.913 ( 5.768 5.954 -1.080) 8.359 5.140 ( 3.577 11.708 -2.233) 12.444 5.254 ( 5.225 7.384 1.247) 9.131 5.343 ( 12.163 8.194 4.128) 15.236 5.583 ( -5.609 8.961 -9.252) 14.048 5.672 ( 8.839 6.834 15.273) 18.923 6.036 ( -1.608 7.659 -8.966) 11.901 6.168 ( 0.237 3.990 -5.314) 6.650 7.064 ( 4.621 -7.232 -2.919) 9.065 7.092 ( 2.573 15.233 -9.241) 18.001 7.346 ( -0.457 -4.274 0.174) 4.302 7.462 ( 4.491 9.496 1.631) 10.631 7.857 ( -8.238 -4.635 -11.952) 15.238 8.336 ( -7.110 -3.727 -7.575) 11.038 8.794 ( -1.165 -19.213 7.852) 20.788 9.090 ( 7.625 -1.872 10.123) 12.811 9.410 ( -0.641 -11.675 9.455) 15.037 9.503 ( 5.991 -9.058 8.580) 13.841 10.049 ( -0.826 2.727 -3.888) 4.821 10.265 ( -9.782 -3.439 4.472) 11.292 10.532 ( -2.498 -3.558 0.514) 4.378 10.781 ( -15.228 -0.488 -3.279) 15.585 10.953 ( 4.694 20.941 1.329) 21.501 11.847 ( 6.367 -21.667 -0.341) 22.586 12.334 ( -3.454 2.115 -1.431) 4.296 12.785 ( -5.850 3.871 1.803) 7.242 12.852 ( 2.798 -2.687 0.165) 3.882 13.295 ( 2.398 -7.700 -0.837) 8.108 14.165 ( -3.685 8.228 -9.894) 13.386 14.923 ( 0.526 -2.672 8.949) 9.354 14.976 ( 6.789 -7.349 -4.061) 10.797 15.344 ( 4.590 3.446 3.007) 6.479 15.553 ( -3.648 8.433 -1.834) 9.370 16.571 ( -0.085 3.561 2.325) 4.254 18.038 ( -4.781 -4.169 -1.461) 6.509 ======================= Grid point 75 (37/60) ======================= q-point: (-0.29 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -8.782 7.682 -5.098) 12.733 1.084 ( -7.458 -1.649 4.497) 8.863 1.257 ( 4.743 4.529 -13.029) 14.587 1.285 ( -0.685 -5.359 -10.178) 11.523 1.586 ( -2.578 4.871 -11.234) 12.513 1.726 ( -1.743 -3.173 1.310) 3.850 1.875 ( 11.309 -8.994 -2.054) 14.594 1.941 ( 2.550 -1.385 -5.524) 6.240 2.162 ( 1.647 6.316 1.661) 6.736 2.408 ( -3.209 -3.937 3.277) 6.045 2.433 ( 4.775 -3.669 -3.385) 6.908 2.582 ( -2.510 8.830 10.831) 14.198 2.757 ( -5.710 1.150 0.089) 5.825 2.865 ( 5.671 -1.589 0.067) 5.890 3.227 ( 6.403 -9.599 -1.152) 11.596 3.283 ( 1.251 1.636 3.544) 4.099 3.308 ( -1.493 0.186 -5.273) 5.483 3.556 ( -4.667 2.914 4.529) 7.127 3.804 ( 6.499 7.094 -6.413) 11.562 3.987 ( 1.062 3.720 -0.486) 3.899 4.077 ( 8.496 10.377 -3.135) 13.773 4.389 ( -5.179 4.745 2.734) 7.537 4.523 ( 3.678 -1.421 2.890) 4.889 4.700 ( 9.962 2.322 -2.402) 10.507 4.859 ( -4.693 7.591 1.914) 9.128 4.974 ( 4.050 4.000 4.162) 7.052 5.259 ( 7.256 3.381 -3.518) 8.744 5.434 ( 0.831 15.833 6.681) 17.205 5.563 ( 4.596 9.578 -6.740) 12.582 5.716 ( 17.376 2.247 9.709) 20.031 5.936 ( 3.821 -4.976 -1.616) 6.478 6.072 ( 2.252 9.831 0.146) 10.087 6.247 ( 10.084 3.570 13.828) 17.483 6.887 ( -3.688 -13.484 -2.733) 14.244 7.244 ( -0.240 -12.758 0.726) 12.781 7.317 ( 11.200 31.160 -17.126) 37.278 7.596 ( -0.236 8.191 -13.616) 15.891 7.686 ( -2.592 14.841 8.936) 17.516 8.112 ( -2.802 -4.847 -6.324) 8.446 8.711 ( -1.688 -19.286 6.762) 20.507 9.234 ( -5.359 -9.330 1.699) 10.893 9.351 ( 4.704 -6.729 6.770) 10.641 9.714 ( 11.007 -5.605 8.414) 14.945 9.979 ( -5.565 -2.351 -0.593) 6.070 10.120 ( -12.942 -2.884 0.454) 13.267 10.273 ( -12.580 -9.125 -12.234) 19.779 10.538 ( -13.909 -2.542 6.119) 15.407 11.234 ( 9.678 17.505 -1.104) 20.033 11.680 ( -1.916 -15.505 -6.197) 16.807 12.309 ( -0.386 0.015 0.199) 0.435 12.750 ( -3.193 1.071 0.964) 3.503 12.869 ( 1.645 -2.817 0.094) 3.263 13.129 ( -3.278 -11.429 -9.896) 15.469 14.180 ( -0.274 12.975 0.048) 12.978 14.905 ( 6.569 -6.377 -9.254) 13.017 15.083 ( 1.876 2.746 10.197) 10.726 15.515 ( 0.618 6.104 5.755) 8.412 15.606 ( 5.734 4.840 2.595) 7.939 16.596 ( -2.199 -0.269 2.467) 3.316 17.894 ( -7.459 -3.535 -1.365) 8.367 ======================= Grid point 76 (38/60) ======================= q-point: (-0.14 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -9.006 13.394 -5.388) 17.016 0.950 ( -13.077 -0.586 5.435) 14.174 1.093 ( 4.126 -4.632 -13.421) 14.786 1.330 ( 6.713 -0.989 -0.454) 6.801 1.470 ( -0.960 4.103 -5.165) 6.666 1.713 ( -2.867 1.046 4.237) 5.222 1.903 ( 7.985 -6.817 -2.252) 10.738 1.984 ( 3.397 0.776 -0.627) 3.541 2.183 ( -9.130 0.861 2.035) 9.393 2.321 ( 5.101 -0.964 -3.613) 6.325 2.481 ( 2.294 1.880 -0.635) 3.033 2.612 ( -5.227 -3.031 1.404) 6.204 2.708 ( -7.359 3.627 8.459) 11.784 2.900 ( -5.362 0.427 -4.147) 6.792 3.077 ( 1.283 -1.956 -6.132) 6.563 3.198 ( 9.080 -14.584 -2.858) 17.416 3.504 ( 2.398 8.416 3.947) 9.600 3.697 ( 4.501 4.100 3.304) 6.928 3.925 ( 4.804 4.689 0.147) 6.715 3.944 ( 3.042 6.673 -7.826) 10.725 4.149 ( 0.096 1.736 -9.854) 10.006 4.365 ( -4.348 4.983 5.435) 8.560 4.675 ( -3.800 5.487 4.032) 7.797 4.821 ( 0.815 4.625 3.759) 6.016 4.864 ( 12.480 -0.558 -0.390) 12.499 5.111 ( 1.091 1.617 1.200) 2.290 5.370 ( 3.581 10.076 0.743) 10.719 5.511 ( -1.908 0.168 -8.296) 8.514 5.680 ( 4.909 10.995 1.158) 12.097 5.915 ( 3.173 5.314 -0.090) 6.190 6.050 ( 1.375 5.708 -6.286) 8.602 6.165 ( 10.096 -15.394 10.766) 21.326 6.528 ( 15.119 0.006 -1.341) 15.178 6.866 ( 4.092 -4.642 3.873) 7.300 7.112 ( -5.228 9.877 -2.443) 11.440 7.351 ( -0.639 6.268 -3.796) 7.356 7.689 ( 3.409 12.583 -3.432) 13.481 7.850 ( 6.257 7.063 -1.999) 9.646 8.140 ( 5.548 7.360 4.070) 10.075 8.589 ( -5.176 -14.520 5.049) 16.221 8.984 ( -8.724 -11.010 -3.904) 14.579 9.442 ( -3.508 -3.159 -1.200) 4.871 9.615 ( -9.912 -8.104 -15.438) 20.057 9.897 ( 2.998 -3.009 8.716) 9.696 9.968 ( -6.802 -7.291 7.753) 12.631 10.099 ( 2.783 -2.136 -0.663) 3.570 10.449 ( -10.335 -0.612 8.594) 13.455 11.263 ( -10.677 -4.787 -9.389) 15.002 11.609 ( 8.494 11.492 -0.146) 14.291 12.305 ( -1.323 -3.763 2.862) 4.909 12.732 ( 2.333 -7.462 -2.773) 8.296 12.838 ( -8.057 -6.053 -3.914) 10.811 12.869 ( -1.717 -0.152 1.775) 2.474 14.293 ( 5.310 2.989 -0.155) 6.096 14.890 ( 10.322 2.721 -8.061) 13.376 15.234 ( 0.679 7.861 2.566) 8.297 15.584 ( -0.539 -1.302 3.488) 3.762 15.793 ( 5.611 4.429 2.435) 7.552 16.572 ( -4.004 -1.744 1.671) 4.676 17.782 ( -4.079 -2.796 3.031) 5.800 ======================= Grid point 79 (39/60) ======================= q-point: ( 0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -8.176 2.646 -4.627) 9.760 1.034 ( 12.241 -4.673 2.939) 13.428 1.355 ( 2.361 2.042 4.763) 5.695 1.547 ( 4.179 -0.939 -1.613) 4.577 1.640 ( 2.743 -7.581 -3.640) 8.846 1.812 ( -2.689 0.944 4.971) 5.730 1.893 ( -1.565 2.813 4.737) 5.727 2.073 ( -2.502 -1.229 -5.763) 6.402 2.231 ( 2.936 -9.936 -5.285) 11.631 2.310 ( -6.521 -1.318 -7.710) 10.184 2.486 ( 0.018 4.837 -0.228) 4.843 2.608 ( -12.465 -1.424 4.966) 13.493 2.634 ( -7.056 7.786 0.289) 10.511 2.840 ( 3.613 -0.652 4.604) 5.889 3.194 ( 12.653 -0.498 1.124) 12.713 3.268 ( 0.071 -2.208 -1.873) 2.896 3.418 ( -2.773 -0.902 10.286) 10.692 3.616 ( -4.801 1.686 3.475) 6.162 3.718 ( -2.150 7.923 0.268) 8.214 3.817 ( -0.492 5.139 -12.245) 13.289 4.084 ( 8.376 6.456 -8.884) 13.812 4.260 ( -13.905 2.089 -2.400) 14.264 4.446 ( -3.209 -4.118 -7.584) 9.207 4.561 ( -13.307 4.167 -5.884) 15.135 4.833 ( -3.406 5.418 3.746) 7.415 5.066 ( 3.765 9.831 -1.178) 10.593 5.090 ( -16.798 4.146 -1.534) 17.370 5.348 ( -6.006 1.948 -8.710) 10.758 5.618 ( -7.961 4.453 -3.917) 9.927 5.678 ( -12.383 1.323 -11.293) 16.812 5.855 ( -8.751 11.932 0.238) 14.799 6.189 ( -1.471 -0.214 5.249) 5.455 6.344 ( -0.993 1.249 2.611) 3.060 6.647 ( 4.744 7.543 -15.122) 17.553 7.044 ( 2.652 -6.686 -0.560) 7.215 7.201 ( -7.082 4.310 -3.241) 8.901 7.727 ( -5.582 5.428 -4.384) 8.935 8.155 ( 9.356 -4.387 -3.914) 11.050 8.225 ( 8.373 -5.970 -3.696) 10.927 8.809 ( 0.416 -11.327 12.681) 17.008 9.092 ( -6.432 -0.503 4.827) 8.058 9.203 ( -1.111 -7.206 8.624) 11.293 9.665 ( -2.938 -5.468 0.389) 6.220 9.814 ( 6.324 -4.116 3.081) 8.151 10.291 ( 6.146 0.909 -2.254) 6.609 10.400 ( 5.518 2.473 7.705) 9.794 10.508 ( 18.656 -1.811 7.055) 20.028 11.042 ( -10.484 18.619 0.443) 21.373 11.896 ( -2.248 -18.266 -1.136) 18.439 12.471 ( -4.306 -1.709 0.014) 4.633 12.597 ( 11.278 6.881 3.632) 13.701 12.897 ( -0.042 -0.701 2.158) 2.269 13.313 ( -9.070 1.810 13.763) 16.582 14.312 ( 9.852 -3.551 -26.028) 28.056 14.684 ( 5.346 -3.965 6.365) 9.209 15.042 ( -7.845 -5.061 -3.312) 9.906 15.490 ( -6.878 4.526 -1.548) 8.378 15.641 ( -1.036 4.752 -0.246) 4.870 16.473 ( 0.281 3.699 1.842) 4.142 17.975 ( 9.174 -5.129 0.573) 10.526 ======================= Grid point 80 (40/60) ======================= q-point: ( 0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -9.404 4.825 -2.648) 10.897 1.079 ( 6.169 -5.702 -6.685) 10.736 1.413 ( 2.080 2.021 -8.034) 8.542 1.472 ( 5.621 -5.853 -13.438) 15.698 1.571 ( 0.879 -0.473 -3.459) 3.600 1.870 ( -1.680 1.192 -1.621) 2.621 1.920 ( 2.885 -3.404 0.064) 4.463 1.931 ( -6.534 -2.102 -7.468) 10.143 2.121 ( -5.739 2.707 0.246) 6.350 2.203 ( 7.210 -5.915 6.310) 11.260 2.460 ( -13.018 -0.303 7.148) 14.854 2.606 ( 1.127 0.433 6.414) 6.527 2.654 ( -1.986 6.288 1.980) 6.885 2.886 ( -4.213 -1.428 0.176) 4.452 3.030 ( -4.382 1.674 -0.879) 4.773 3.302 ( -5.581 -8.085 -3.127) 10.309 3.580 ( 8.759 0.535 0.356) 8.782 3.640 ( -5.174 6.732 1.113) 8.563 3.755 ( 0.065 5.193 -5.163) 7.323 3.803 ( 15.534 -0.645 -3.250) 15.884 4.039 ( -1.130 -0.370 -1.197) 1.687 4.243 ( 2.103 14.125 -5.626) 15.349 4.349 ( -10.079 4.016 1.318) 10.929 4.437 ( -2.436 4.289 4.175) 6.462 4.838 ( -4.026 3.435 -1.750) 5.574 5.029 ( -0.420 6.996 7.586) 10.328 5.135 ( -8.732 2.227 -4.078) 9.891 5.224 ( 0.821 8.742 -0.291) 8.785 5.307 ( -9.790 3.049 -6.150) 11.957 5.577 ( -6.381 5.625 0.634) 8.530 5.882 ( -10.367 12.439 6.394) 17.410 6.135 ( -0.877 3.816 -3.795) 5.453 6.377 ( -13.435 14.637 0.012) 19.868 6.728 ( 11.784 17.128 -12.626) 24.324 6.950 ( 7.842 -29.594 5.822) 31.164 7.252 ( 5.477 14.042 -4.722) 15.795 7.548 ( -9.179 8.089 -11.709) 16.935 8.095 ( -5.009 -5.935 -4.472) 8.962 8.268 ( 11.589 -4.438 -7.374) 14.436 8.825 ( -2.374 -15.226 9.883) 18.307 9.116 ( -0.634 -5.655 11.231) 12.590 9.231 ( -1.741 -9.421 9.276) 13.335 9.561 ( -2.108 -12.698 4.453) 13.620 9.934 ( 7.174 4.697 -1.561) 8.716 10.369 ( 10.421 -1.959 -2.688) 10.939 10.472 ( -3.791 -2.601 4.091) 6.154 10.871 ( 12.610 2.009 4.705) 13.608 11.041 ( -9.583 19.732 -3.482) 22.211 11.699 ( 1.533 -22.396 -1.384) 22.491 12.411 ( -2.317 -0.082 -0.782) 2.447 12.779 ( 4.517 0.621 1.344) 4.754 12.906 ( -1.145 -0.711 1.452) 1.981 13.322 ( -5.338 -4.520 5.055) 8.630 14.140 ( 5.868 5.698 -17.387) 19.215 14.741 ( 7.026 -6.314 -0.081) 9.447 14.927 ( -4.751 -1.740 2.540) 5.662 15.450 ( -7.516 4.505 5.074) 10.125 15.649 ( -1.987 4.709 -1.011) 5.210 16.551 ( 1.016 4.079 2.615) 4.950 18.036 ( 4.910 -4.050 -1.355) 6.508 ======================= Grid point 81 (41/60) ======================= q-point: (-0.43 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 3.687 6.714 10.241) 12.788 1.059 ( 8.904 -4.555 -6.172) 11.752 1.233 ( 1.728 -0.814 -16.551) 16.661 1.433 ( 0.189 6.592 -17.784) 18.967 1.492 ( -0.405 -3.559 2.583) 4.416 1.646 ( 0.615 -1.984 -11.965) 12.144 1.848 ( -7.138 4.410 3.943) 9.271 2.003 ( 7.495 -2.960 2.091) 8.325 2.073 ( -7.548 -0.855 -2.702) 8.062 2.321 ( -1.526 1.981 7.369) 7.781 2.459 ( 0.204 -8.288 6.161) 10.329 2.678 ( -1.719 3.374 12.002) 12.585 2.748 ( 3.487 4.869 0.412) 6.003 2.876 ( -0.786 2.984 4.833) 5.734 3.077 ( 0.709 1.926 4.900) 5.313 3.120 ( 2.158 -7.686 -5.008) 9.424 3.489 ( -7.785 3.291 -5.357) 10.007 3.613 ( -0.517 3.621 -12.523) 13.047 3.744 ( 5.057 -1.184 -1.607) 5.436 3.965 ( 0.124 1.836 0.542) 1.919 4.000 ( 0.481 -1.358 -5.530) 5.715 4.258 ( -0.026 0.666 -5.890) 5.927 4.424 ( 5.251 10.101 10.773) 15.673 4.553 ( 2.404 6.488 5.751) 8.997 4.874 ( 4.672 8.310 2.275) 9.801 5.002 ( -7.886 2.776 3.921) 9.234 5.254 ( 7.512 5.166 6.925) 11.449 5.274 ( -8.374 12.638 -1.885) 15.277 5.312 ( 4.878 5.035 1.953) 7.277 5.559 ( 0.075 10.182 -6.769) 12.227 6.003 ( -5.905 8.027 21.285) 23.503 6.132 ( -0.168 4.556 -3.388) 5.681 6.285 ( -17.297 16.168 4.097) 24.029 6.861 ( 11.295 21.674 -14.984) 28.668 6.907 ( 7.386 -30.180 4.183) 31.351 7.365 ( -2.354 3.471 -6.137) 7.433 7.421 ( 4.779 23.531 -11.621) 26.676 7.920 ( -7.556 3.875 -1.996) 8.723 8.192 ( 1.474 -9.856 -10.089) 14.181 8.770 ( -2.443 -18.227 9.152) 20.541 9.185 ( -3.411 -5.108 9.342) 11.181 9.312 ( 8.483 -14.085 11.014) 19.790 9.534 ( -0.083 -9.601 8.079) 12.548 10.012 ( 2.806 6.162 -5.538) 8.748 10.373 ( -5.982 -9.909 0.816) 11.603 10.447 ( 5.447 -3.692 -2.561) 7.061 10.825 ( -6.563 -6.532 -10.150) 13.739 11.111 ( -1.050 19.721 -1.817) 19.832 11.579 ( 6.173 -20.361 1.375) 21.320 12.372 ( -2.553 0.750 -0.807) 2.781 12.790 ( -0.009 -3.087 -1.815) 3.582 12.897 ( -2.306 0.912 1.736) 3.027 13.192 ( -2.827 -13.651 -3.035) 14.267 14.166 ( 4.229 17.558 -6.367) 19.150 14.855 ( 2.378 -2.612 -0.043) 3.533 14.889 ( 4.351 -1.339 4.571) 6.451 15.476 ( -3.843 3.703 8.270) 9.842 15.654 ( -2.708 6.910 -0.643) 7.449 16.609 ( 0.526 0.667 1.394) 1.632 18.007 ( -0.010 -3.649 -3.596) 5.123 ======================= Grid point 82 (42/60) ======================= q-point: (-0.29 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.966 7.896 -10.928) 13.517 0.984 ( -1.636 -5.986 -13.261) 14.641 1.159 ( 8.255 -5.573 12.332) 15.852 1.255 ( -9.266 3.030 -4.402) 10.696 1.553 ( 0.438 1.287 -2.908) 3.210 1.625 ( 8.101 10.733 -1.953) 13.588 1.885 ( -5.933 -3.039 2.441) 7.099 1.888 ( -2.214 3.763 0.305) 4.377 2.105 ( 5.167 0.072 0.084) 5.168 2.363 ( -0.628 -2.006 0.902) 2.287 2.462 ( -2.896 -6.860 5.861) 9.476 2.714 ( 4.903 -1.187 -4.504) 6.763 2.834 ( -6.812 3.283 2.160) 7.864 2.978 ( -4.393 1.941 6.178) 7.825 3.074 ( 0.202 -7.455 4.024) 8.474 3.252 ( 10.389 3.029 5.519) 12.148 3.351 ( -11.222 5.069 -1.442) 12.398 3.534 ( 12.378 -0.487 -7.506) 14.485 3.779 ( -2.787 3.399 -0.094) 4.397 3.922 ( 2.516 -1.340 -4.348) 5.199 4.014 ( 7.743 11.378 -1.144) 13.810 4.255 ( 6.486 5.095 -6.868) 10.733 4.651 ( 0.765 0.268 9.550) 9.584 4.708 ( 0.820 4.868 1.224) 5.086 4.988 ( -2.264 0.613 4.386) 4.974 5.096 ( 0.891 3.372 8.936) 9.593 5.258 ( -2.236 23.939 -4.574) 24.474 5.460 ( 8.205 6.722 -1.183) 10.672 5.503 ( 15.031 0.053 2.800) 15.289 5.615 ( 0.335 13.646 1.836) 13.773 6.073 ( -9.799 2.714 3.746) 10.836 6.170 ( -8.457 8.272 -0.593) 11.845 6.415 ( 0.742 -1.922 21.058) 21.158 6.771 ( 1.523 -18.589 3.691) 19.013 7.057 ( 14.413 16.405 -9.178) 23.688 7.272 ( -2.547 15.483 -13.158) 20.478 7.541 ( 5.080 24.825 -9.372) 27.018 7.919 ( -8.097 -8.139 -0.603) 11.497 8.008 ( 3.821 3.666 0.735) 5.346 8.695 ( -3.045 -18.112 9.023) 20.463 9.172 ( -0.622 -14.389 0.942) 14.433 9.366 ( -1.465 -6.216 5.416) 8.373 9.662 ( 7.984 -6.262 11.986) 15.704 9.962 ( -3.758 0.139 -9.154) 9.896 10.149 ( -5.957 -7.947 -10.910) 14.754 10.319 ( -11.279 -6.961 2.363) 13.463 10.609 ( 0.407 -8.583 -3.358) 9.226 11.216 ( 5.559 4.407 -3.442) 7.885 11.547 ( 1.571 -5.129 1.705) 5.629 12.333 ( -2.746 0.788 0.421) 2.888 12.702 ( -0.458 -6.914 -4.486) 8.255 12.903 ( -1.799 0.032 1.962) 2.662 13.010 ( -2.485 -11.979 -1.061) 12.280 14.314 ( -0.083 20.504 -2.710) 20.683 14.734 ( -3.093 -2.892 -4.699) 6.326 15.113 ( 8.284 2.439 6.002) 10.516 15.630 ( 2.075 4.239 9.801) 10.878 15.659 ( -1.617 6.631 -1.567) 7.003 16.613 ( 0.267 -2.643 -0.073) 2.657 17.897 ( -2.741 -3.928 -4.762) 6.754 ======================= Grid point 83 (43/60) ======================= q-point: (-0.14 -0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 2.136 -7.146 -10.586) 12.950 0.851 ( 2.011 11.705 -3.760) 12.458 1.061 ( -9.474 -2.205 -3.164) 10.229 1.391 ( -1.202 -5.331 18.648) 19.432 1.562 ( -2.229 6.996 -0.290) 7.349 1.711 ( -0.156 1.042 -0.701) 1.266 1.835 ( 0.842 4.491 2.735) 5.326 2.034 ( 1.711 4.321 5.695) 7.351 2.126 ( 6.158 -3.150 -7.765) 10.399 2.302 ( -2.894 -0.816 1.026) 3.177 2.463 ( 0.114 -7.259 7.681) 10.569 2.665 ( -1.157 -0.662 -3.759) 3.988 2.811 ( 1.224 -0.589 -1.106) 1.751 2.946 ( 1.204 -8.694 -0.879) 8.821 3.029 ( -8.581 0.592 4.915) 9.907 3.186 ( -15.039 2.814 2.722) 15.541 3.488 ( 7.912 9.058 -1.114) 12.078 3.718 ( 15.531 0.990 -2.660) 15.789 3.811 ( -1.326 3.145 7.222) 7.988 3.909 ( 1.545 6.049 -6.609) 9.092 4.090 ( -2.988 3.268 -5.608) 7.145 4.425 ( 8.352 3.962 4.212) 10.159 4.685 ( 3.072 1.913 -5.137) 6.283 4.807 ( 2.970 8.371 3.013) 9.379 5.011 ( -3.748 3.991 6.871) 8.786 5.146 ( -4.551 -2.481 0.529) 5.210 5.384 ( 2.345 7.840 -2.875) 8.673 5.519 ( -4.962 12.000 -3.900) 13.559 5.750 ( 1.939 9.315 -0.045) 9.515 5.856 ( 16.323 6.098 -1.385) 17.480 5.989 ( -6.788 -0.629 4.656) 8.255 6.142 ( -0.775 -1.265 5.217) 5.424 6.393 ( 0.282 -1.322 -3.613) 3.858 6.845 ( -1.041 -2.400 1.342) 2.940 7.206 ( 3.019 7.423 0.423) 8.025 7.400 ( 7.462 19.539 4.233) 21.340 7.698 ( -2.759 -3.935 -4.019) 6.265 7.753 ( 7.730 12.487 -3.506) 15.099 8.143 ( 3.924 2.201 0.544) 4.532 8.623 ( -3.077 -16.909 7.973) 18.946 8.981 ( -5.333 -3.923 -2.915) 7.234 9.394 ( 1.400 -8.633 3.063) 9.266 9.548 ( -13.413 -8.473 -10.730) 19.153 9.868 ( 5.134 -2.574 2.739) 6.363 10.012 ( -1.734 6.118 -5.461) 8.383 10.207 ( -7.074 -9.879 11.121) 16.471 10.528 ( 1.877 -8.996 -1.492) 9.310 11.213 ( 0.358 -11.457 0.824) 11.492 11.627 ( 4.101 14.269 0.108) 14.847 12.344 ( -1.211 -1.612 5.838) 6.176 12.571 ( 2.327 -12.044 -3.719) 12.818 12.826 ( -4.269 -5.828 -1.399) 7.359 12.965 ( -2.107 -1.735 5.731) 6.347 14.351 ( -7.513 8.025 -0.553) 11.007 14.714 ( 7.049 9.479 -7.475) 13.979 15.267 ( 3.086 5.305 0.519) 6.159 15.619 ( -3.455 -0.998 -1.155) 3.778 15.828 ( 2.838 6.806 3.650) 8.228 16.575 ( 0.046 -3.972 -1.933) 4.418 17.781 ( -0.136 -5.075 -2.773) 5.785 ======================= Grid point 86 (44/60) ======================= q-point: ( 0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 11.498 0.206 -5.740) 12.853 0.836 ( 5.465 -7.003 -2.499) 9.228 1.369 ( 0.926 -5.205 -10.562) 11.812 1.512 ( -7.141 7.587 4.457) 11.332 1.612 ( -1.558 -0.640 1.769) 2.443 1.850 ( 2.742 -8.688 -4.294) 10.072 1.887 ( 1.967 4.220 -12.003) 12.874 1.996 ( -0.497 3.424 2.338) 4.176 2.095 ( -3.169 -6.485 -1.464) 7.365 2.392 ( -7.708 1.608 1.716) 8.058 2.444 ( 6.836 -2.232 -1.734) 7.397 2.786 ( -3.227 -0.467 2.331) 4.008 2.797 ( 4.012 2.402 2.211) 5.173 2.896 ( 0.922 4.376 -1.552) 4.734 3.117 ( 2.955 1.818 8.412) 9.100 3.224 ( -9.203 -0.004 3.081) 9.706 3.479 ( -1.325 -6.177 -5.133) 8.140 3.656 ( -4.781 -5.403 -1.295) 7.330 3.739 ( -4.070 5.236 -7.340) 9.892 3.905 ( -3.661 10.934 -0.333) 11.536 4.071 ( -1.601 6.454 -0.162) 6.652 4.359 ( -7.798 8.531 -8.702) 14.468 4.382 ( -2.022 1.323 1.346) 2.766 4.747 ( -11.024 1.725 1.692) 11.286 4.988 ( -0.998 0.436 1.977) 2.257 5.104 ( -2.973 10.442 4.739) 11.846 5.347 ( -13.282 -1.801 -2.511) 13.637 5.451 ( -10.229 13.206 0.630) 16.715 5.627 ( -8.638 -3.703 -7.482) 12.012 5.741 ( -4.166 3.426 -4.368) 6.941 6.111 ( -5.156 12.522 1.067) 13.583 6.183 ( 7.608 -10.154 9.055) 15.588 6.508 ( -5.586 -6.478 -7.324) 11.260 6.539 ( -9.901 9.038 8.259) 15.746 7.069 ( -9.454 6.376 -3.524) 11.936 7.402 ( -16.210 10.388 -0.054) 19.253 7.684 ( 0.935 4.008 -14.323) 14.902 7.847 ( 16.476 -2.390 -5.628) 17.574 8.123 ( 1.383 -1.918 0.153) 2.369 8.807 ( 7.525 -11.872 7.723) 16.038 9.021 ( 2.823 -4.703 0.979) 5.572 9.460 ( -10.167 -9.419 9.221) 16.646 9.648 ( -1.291 -0.236 -6.470) 6.602 9.739 ( 4.314 -5.613 8.355) 10.950 10.092 ( 6.474 -1.406 -9.003) 11.178 10.291 ( 23.318 1.349 9.835) 25.344 10.435 ( 6.263 0.464 6.189) 8.817 11.312 ( -8.192 14.354 -2.368) 16.696 11.724 ( -1.099 -16.030 -7.274) 17.637 12.471 ( 6.834 -4.795 6.227) 10.415 12.561 ( -0.129 8.323 -7.137) 10.965 12.898 ( 0.404 -3.038 1.035) 3.235 13.424 ( 3.956 -5.381 -20.519) 21.579 14.050 ( -4.924 6.667 10.010) 12.996 14.676 ( -2.966 -7.627 1.620) 8.342 15.153 ( -8.944 0.141 4.333) 9.940 15.551 ( 1.857 7.051 0.182) 7.294 15.738 ( -5.712 3.499 0.799) 6.746 16.492 ( 3.875 0.021 4.016) 5.581 17.787 ( 11.662 -4.490 0.666) 12.514 ======================= Grid point 87 (45/60) ======================= q-point: ( 0.43 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -3.629 0.991 -7.960) 8.805 0.866 ( 7.876 -1.571 -1.812) 8.233 1.176 ( 0.699 -10.990 -8.964) 14.199 1.406 ( -8.590 3.983 -4.477) 10.474 1.639 ( -1.559 -4.467 0.380) 4.746 1.706 ( -4.219 5.801 -14.626) 16.290 1.818 ( 4.915 -0.444 -0.949) 5.026 2.027 ( -3.515 3.957 -2.611) 5.901 2.103 ( 6.430 0.736 5.796) 8.688 2.317 ( -4.655 -2.570 2.842) 6.029 2.570 ( 3.838 0.023 3.290) 5.055 2.673 ( -4.347 -3.222 -3.947) 6.697 2.751 ( -4.403 1.550 -0.236) 4.674 2.970 ( -9.498 -2.982 1.632) 10.088 3.109 ( 6.944 3.368 5.715) 9.603 3.236 ( -6.678 -12.994 -8.698) 17.002 3.427 ( 11.912 3.708 1.108) 12.525 3.558 ( -2.255 6.590 -1.398) 7.104 3.767 ( -0.105 0.435 6.010) 6.027 3.903 ( -3.137 8.776 -1.652) 9.465 3.985 ( -5.269 -1.124 -7.099) 8.912 4.327 ( -1.459 15.606 -1.426) 15.739 4.506 ( -2.472 4.258 11.342) 12.365 4.644 ( -11.679 4.989 -0.116) 12.700 4.949 ( -6.276 5.039 -1.279) 8.149 5.152 ( -5.160 -2.553 2.264) 6.187 5.250 ( -0.181 10.671 -0.137) 10.673 5.368 ( -6.967 -0.238 -3.416) 7.763 5.440 ( -13.241 9.739 10.372) 19.436 5.672 ( -4.992 1.763 -2.254) 5.754 6.104 ( -0.601 0.608 -4.621) 4.699 6.262 ( 0.613 12.804 1.349) 12.890 6.501 ( 3.299 4.504 1.920) 5.904 6.608 ( 1.329 -12.340 9.444) 15.596 6.976 ( -13.320 9.890 5.314) 17.420 7.285 ( -6.331 10.447 -5.641) 13.456 7.525 ( -2.454 20.568 -19.347) 28.344 7.954 ( 9.848 -8.860 -4.879) 14.117 8.101 ( -1.426 1.134 -1.140) 2.149 8.828 ( 0.065 -9.543 1.806) 9.713 9.054 ( 6.235 -15.064 8.266) 18.279 9.429 ( -5.474 -11.082 14.072) 18.729 9.534 ( -1.691 -3.328 -2.250) 4.359 9.883 ( 3.227 1.254 4.454) 5.641 10.103 ( 13.750 -1.930 -7.126) 15.607 10.460 ( 2.368 -8.505 -2.637) 9.214 10.693 ( 13.848 -1.832 1.114) 14.013 11.281 ( -6.952 15.486 -4.997) 17.695 11.506 ( -2.151 -15.779 -0.689) 15.940 12.416 ( -1.442 -0.563 -3.075) 3.443 12.710 ( 8.521 0.958 0.693) 8.603 12.894 ( 1.370 -4.473 1.182) 4.825 13.211 ( 4.407 -10.727 -13.542) 17.829 14.120 ( -6.124 12.957 2.887) 14.619 14.627 ( 3.414 -4.160 2.471) 5.922 15.100 ( -9.023 2.744 5.228) 10.783 15.597 ( -1.958 3.322 0.718) 3.923 15.726 ( -3.780 4.518 1.619) 6.109 16.585 ( 1.711 0.141 3.037) 3.489 17.894 ( 7.484 -3.237 -1.303) 8.258 ======================= Grid point 88 (46/60) ======================= q-point: (-0.43 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 12.708 -8.732 -7.924) 17.336 0.950 ( -2.238 -3.001 12.370) 12.924 1.054 ( 1.090 -3.299 -6.582) 7.443 1.301 ( -1.214 7.157 -6.363) 9.653 1.464 ( 3.181 3.984 -8.216) 9.669 1.677 ( -6.544 0.199 4.412) 7.895 1.920 ( 0.924 2.318 -2.371) 3.442 2.020 ( 5.097 5.758 6.218) 9.889 2.147 ( -6.965 1.266 -3.836) 8.052 2.354 ( 4.778 -5.953 5.535) 9.429 2.502 ( -4.657 -4.519 -1.850) 6.748 2.633 ( 8.638 2.537 -0.548) 9.020 2.762 ( -6.471 -3.842 -2.032) 7.795 2.906 ( 3.211 -6.413 -1.499) 7.327 3.026 ( 1.940 -3.325 7.608) 8.526 3.280 ( -4.632 7.328 7.219) 11.281 3.453 ( 1.368 -2.159 -8.451) 8.829 3.639 ( -3.393 10.409 3.551) 11.510 3.714 ( -3.911 1.903 -5.553) 7.054 3.896 ( -2.225 4.342 0.582) 4.914 4.017 ( 2.970 2.146 5.057) 6.245 4.287 ( -11.824 1.294 -5.981) 13.314 4.582 ( -0.065 5.847 7.549) 9.549 4.676 ( 0.634 9.037 6.689) 11.261 4.908 ( -0.322 6.682 -4.073) 7.832 5.106 ( -0.909 7.826 -5.480) 9.597 5.284 ( 1.724 -3.119 6.234) 7.180 5.429 ( -2.516 7.124 3.162) 8.191 5.525 ( -10.084 10.547 9.276) 17.291 5.577 ( -1.891 6.937 0.384) 7.200 6.081 ( 2.385 4.121 -4.124) 6.300 6.457 ( 7.686 20.142 -5.000) 22.131 6.585 ( -6.612 -15.133 13.670) 21.438 6.629 ( 1.942 1.501 8.213) 8.572 6.891 ( -11.743 8.593 -1.545) 14.633 7.303 ( 3.322 5.336 -2.368) 6.716 7.500 ( -3.357 29.243 -10.971) 31.413 7.875 ( 2.642 -3.231 -9.834) 10.683 8.079 ( -2.093 -0.310 1.209) 2.436 8.754 ( -0.408 -13.334 3.467) 13.783 9.147 ( 7.176 -15.252 6.615) 18.107 9.380 ( -5.953 -8.161 8.517) 13.213 9.556 ( 1.286 -8.447 10.386) 13.449 9.950 ( 2.686 5.616 -4.364) 7.603 10.204 ( 7.432 -8.901 -4.931) 12.600 10.331 ( 5.396 -7.343 -6.053) 10.940 10.630 ( -1.391 -11.657 -12.698) 17.294 11.219 ( -5.065 -0.136 -1.907) 5.414 11.465 ( 1.080 -0.197 5.396) 5.506 12.383 ( 0.485 -0.654 -1.158) 1.415 12.761 ( -1.375 -0.625 -2.106) 2.592 12.902 ( 2.136 -2.725 1.081) 3.627 13.020 ( 2.484 -14.636 -5.683) 15.896 14.215 ( 1.951 17.081 -1.559) 17.263 14.796 ( 8.669 2.861 8.503) 12.476 15.042 ( -11.283 2.421 3.884) 12.175 15.613 ( -0.101 4.486 0.899) 4.576 15.727 ( -2.694 4.539 -0.176) 5.281 16.606 ( -0.067 -2.710 0.133) 2.714 17.899 ( 2.651 -3.718 -4.807) 6.630 ======================= Grid point 89 (47/60) ======================= q-point: (-0.29 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 5.305 -0.707 -12.820) 13.892 0.825 ( 1.990 -11.303 -5.507) 12.730 1.181 ( 3.947 -6.627 14.946) 16.819 1.387 ( 0.558 7.666 5.180) 9.269 1.550 ( 0.766 4.259 0.032) 4.327 1.652 ( 4.333 4.576 2.533) 6.792 1.908 ( -1.557 -0.259 -2.121) 2.643 1.983 ( -6.867 0.602 -0.745) 6.933 2.161 ( -7.394 1.386 2.192) 7.836 2.371 ( -0.423 -0.810 0.377) 0.989 2.493 ( 5.016 -5.994 4.841) 9.193 2.601 ( 3.850 -1.378 -3.892) 5.646 2.789 ( 2.249 -10.952 -1.606) 11.296 2.918 ( 7.604 -3.969 -0.017) 8.578 3.164 ( 5.822 0.974 6.398) 8.705 3.301 ( -2.381 6.987 6.194) 9.636 3.392 ( -10.316 4.208 -3.012) 11.541 3.692 ( -10.247 11.472 6.871) 16.846 3.748 ( 8.352 5.094 4.090) 10.604 3.877 ( -1.087 1.279 -3.309) 3.711 4.040 ( -2.558 7.281 0.035) 7.718 4.201 ( 1.493 8.375 -2.472) 8.859 4.672 ( 3.483 0.490 -2.799) 4.495 4.727 ( -2.251 -4.152 0.685) 4.773 5.065 ( 4.389 6.835 6.013) 10.106 5.173 ( 4.003 8.220 1.079) 9.206 5.343 ( 3.121 0.104 -1.142) 3.325 5.456 ( -0.705 10.777 2.595) 11.107 5.566 ( -3.357 15.724 4.246) 16.629 5.749 ( -0.584 8.606 4.560) 9.757 6.122 ( 3.444 4.158 -1.438) 5.588 6.417 ( -4.584 -11.255 -5.131) 13.191 6.570 ( -15.957 11.126 4.787) 20.034 6.800 ( 2.918 4.627 8.147) 9.813 6.960 ( 7.289 7.281 5.377) 11.621 7.312 ( -1.722 10.205 -1.907) 10.523 7.604 ( 1.973 18.655 -4.992) 19.412 7.762 ( 0.897 -1.208 -8.139) 8.277 8.099 ( -0.615 1.767 2.514) 3.134 8.701 ( -0.769 -15.747 7.835) 17.605 9.068 ( -2.695 -14.483 -2.229) 14.899 9.410 ( 1.120 -8.526 9.055) 12.487 9.667 ( 2.510 -8.083 9.820) 12.964 9.899 ( -3.694 1.315 -8.548) 9.404 10.033 ( -1.341 -3.747 -7.493) 8.484 10.279 ( 3.083 -10.789 -11.859) 16.326 10.426 ( 5.134 -5.727 -2.784) 8.180 11.122 ( -2.308 -14.739 6.972) 16.468 11.583 ( 1.810 7.168 3.252) 8.076 12.371 ( 0.708 -2.830 0.267) 2.930 12.628 ( -6.354 -2.901 -5.200) 8.708 12.884 ( 0.214 -8.202 1.537) 8.348 12.976 ( 2.177 -4.745 3.756) 6.431 14.400 ( 5.476 21.834 -4.878) 23.033 14.849 ( -14.092 1.568 0.865) 14.206 15.119 ( 7.123 3.413 9.675) 12.490 15.659 ( 2.212 6.166 -7.026) 9.606 15.759 ( -0.466 6.520 4.595) 7.990 16.553 ( 0.336 -5.757 -2.692) 6.364 17.794 ( -0.109 -5.474 -7.785) 9.517 ======================= Grid point 90 (48/60) ======================= q-point: (-0.14 -0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 4.783 -9.498 -0.691) 10.657 0.745 ( 3.500 -6.619 -7.342) 10.486 1.245 ( -6.971 2.811 7.953) 10.943 1.490 ( 4.438 -14.217 6.699) 16.331 1.623 ( 1.526 -0.494 1.671) 2.316 1.720 ( -3.905 2.796 -3.228) 5.787 1.919 ( 8.704 5.590 3.033) 10.780 1.999 ( -0.707 2.507 5.508) 6.093 2.087 ( -3.069 1.846 0.821) 3.674 2.339 ( -3.346 -2.124 0.769) 4.037 2.477 ( -0.964 -3.506 0.052) 3.637 2.645 ( 1.407 -6.617 -1.523) 6.934 2.761 ( 5.154 -4.851 4.161) 8.210 2.906 ( -6.318 1.369 2.101) 6.798 3.219 ( -3.789 4.445 -3.590) 6.856 3.389 ( 2.435 3.654 5.574) 7.095 3.456 ( 1.056 8.430 2.447) 8.842 3.706 ( -7.944 5.909 5.541) 11.346 3.819 ( 2.710 8.401 -6.562) 10.999 3.939 ( 4.224 4.798 7.267) 9.678 4.093 ( -6.100 -3.678 -4.973) 8.687 4.400 ( 12.675 7.006 10.591) 17.942 4.590 ( 1.208 5.784 -10.719) 12.239 4.789 ( 6.720 -3.375 3.508) 8.298 5.081 ( -5.041 5.214 -5.330) 9.000 5.268 ( -3.349 4.578 3.022) 6.427 5.426 ( 0.373 5.845 3.302) 6.724 5.571 ( 2.542 -0.647 1.372) 2.961 5.784 ( 0.448 4.383 -1.749) 4.740 5.833 ( 3.630 18.677 4.639) 19.584 6.137 ( -7.619 0.052 -5.193) 9.220 6.213 ( -0.550 5.582 -0.160) 5.612 6.479 ( -13.551 7.188 3.897) 15.827 6.891 ( -1.826 6.375 -1.077) 6.719 7.209 ( 7.612 11.478 3.138) 14.126 7.481 ( 7.532 -5.070 9.598) 13.212 7.607 ( 1.454 -1.258 -0.591) 2.011 7.790 ( -0.036 19.051 -6.564) 20.150 8.092 ( 1.078 -4.927 -1.007) 5.144 8.581 ( -4.610 -19.768 0.900) 20.318 8.949 ( 1.105 -6.230 1.816) 6.583 9.446 ( -4.406 -5.045 5.467) 8.646 9.523 ( -5.848 -9.555 -1.596) 11.315 9.838 ( -1.327 4.200 -4.412) 6.234 10.032 ( 2.757 7.203 1.037) 7.782 10.143 ( 8.840 -12.513 -9.584) 18.071 10.385 ( -0.720 -6.975 -1.601) 7.192 11.160 ( 3.732 -18.149 19.956) 27.231 11.694 ( 1.509 10.500 -0.511) 10.620 12.368 ( 5.169 -11.653 -3.814) 13.306 12.491 ( -5.954 -0.325 9.587) 11.290 12.846 ( -2.954 -3.075 2.166) 4.783 13.027 ( 0.581 -5.866 7.781) 9.762 14.528 ( -1.677 22.345 -12.080) 25.456 14.691 ( -8.802 3.430 -0.046) 9.447 15.294 ( 0.917 4.450 2.408) 5.142 15.614 ( -0.610 0.200 -5.448) 5.486 15.882 ( 2.179 10.416 -1.147) 10.703 16.467 ( 2.119 -7.012 -4.727) 8.718 17.644 ( 1.938 -8.306 -7.072) 11.080 ======================= Grid point 114 (49/60) ======================= q-point: ( 0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 0.000 -12.024) 12.024 1.244 ( -0.000 -0.000 17.709) 17.709 1.244 ( -0.000 -0.000 17.709) 17.709 1.664 ( -0.000 -0.000 4.265) 4.265 1.864 ( -0.000 0.000 2.547) 2.547 1.864 ( -0.000 -0.000 2.547) 2.547 2.006 ( 0.000 0.000 -8.808) 8.808 2.006 ( 0.000 -0.000 -8.808) 8.808 2.089 ( -0.000 -0.000 5.450) 5.450 2.274 ( -0.000 0.000 4.545) 4.545 2.274 ( -0.000 -0.000 4.545) 4.545 2.642 ( 0.000 0.000 -9.616) 9.616 2.823 ( 0.000 0.000 -9.692) 9.692 2.823 ( 0.000 0.000 -9.692) 9.692 2.906 ( -0.000 -0.000 25.489) 25.489 3.460 ( 0.000 0.000 -11.129) 11.129 3.460 ( 0.000 -0.000 -11.129) 11.129 3.534 ( -0.000 -0.000 4.717) 4.717 3.611 ( -0.000 0.000 1.039) 1.039 3.611 ( -0.000 -0.000 1.039) 1.039 4.061 ( 0.000 0.000 -9.170) 9.170 4.061 ( 0.000 -0.000 -9.170) 9.170 4.164 ( -0.000 -0.000 2.221) 2.221 4.668 ( 0.000 0.000 -13.099) 13.099 4.668 ( 0.000 -0.000 -13.099) 13.099 4.776 ( -0.000 -0.000 1.990) 1.990 5.214 ( 0.000 0.000 -4.992) 4.992 5.322 ( 0.000 0.000 -13.775) 13.775 5.322 ( 0.000 0.000 -13.775) 13.775 5.630 ( 0.000 0.000 -4.601) 4.601 5.754 ( 0.000 0.000 -16.688) 16.688 5.754 ( 0.000 -0.000 -16.688) 16.688 6.667 ( 0.000 0.000 -20.568) 20.568 6.771 ( 0.000 0.000 -3.009) 3.009 6.771 ( 0.000 -0.000 -3.009) 3.009 7.608 ( -0.000 0.000 9.333) 9.333 7.608 ( -0.000 -0.000 9.333) 9.333 8.373 ( -0.000 -0.000 12.002) 12.002 8.637 ( 0.000 0.000 -4.756) 4.756 8.637 ( 0.000 -0.000 -4.756) 4.756 8.831 ( -0.000 -0.000 16.644) 16.644 9.692 ( -0.000 0.000 8.483) 8.483 9.692 ( -0.000 -0.000 8.483) 8.483 9.761 ( -0.000 -0.000 1.235) 1.235 10.074 ( -0.000 -0.000 0.692) 0.692 10.436 ( -0.000 -0.000 6.110) 6.110 10.436 ( -0.000 -0.000 6.110) 6.110 10.675 ( -0.000 -0.000 15.468) 15.468 12.224 ( -0.000 0.000 4.535) 4.535 12.224 ( -0.000 -0.000 4.535) 4.535 12.829 ( -0.000 0.000 0.031) 0.031 12.829 ( 0.000 -0.000 0.031) 0.031 13.012 ( -0.000 -0.000 14.450) 14.450 14.870 ( 0.000 0.000 -33.211) 33.211 14.990 ( 0.000 0.000 1.369) 1.369 14.990 ( 0.000 -0.000 1.369) 1.369 15.492 ( 0.000 0.000 -6.505) 6.505 15.492 ( 0.000 0.000 -6.505) 6.505 16.171 ( -0.000 -0.000 6.388) 6.388 18.215 ( -0.000 -0.000 2.067) 2.067 ======================= Grid point 115 (50/60) ======================= q-point: ( 0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 15.602 8.484 -4.675) 18.364 1.305 ( -8.742 -8.115 10.338) 15.784 1.466 ( -1.990 -0.298 9.119) 9.338 1.664 ( -5.375 -6.629 -7.971) 11.678 1.765 ( -0.009 0.523 -3.970) 4.005 1.792 ( -0.829 0.502 -4.539) 4.642 1.898 ( -2.101 0.563 3.908) 4.473 2.125 ( 2.789 3.555 8.949) 10.025 2.193 ( 0.647 6.118 1.071) 6.245 2.246 ( 3.348 2.048 -10.956) 11.638 2.298 ( 3.648 -4.155 -5.426) 7.747 2.478 ( -2.457 -1.078 -2.576) 3.719 2.715 ( 0.176 -2.708 -0.428) 2.747 2.876 ( 10.217 7.481 -6.703) 14.328 3.146 ( -6.638 -6.510 -6.442) 11.311 3.264 ( 0.751 5.532 17.467) 18.337 3.399 ( 0.096 -7.430 7.480) 10.544 3.577 ( -0.248 3.847 -1.549) 4.155 3.702 ( -2.187 3.467 0.578) 4.140 3.758 ( 1.365 -2.648 -8.868) 9.355 3.821 ( 9.497 -1.136 4.475) 10.560 4.169 ( -2.803 2.994 -10.587) 11.354 4.229 ( 13.847 12.393 -1.985) 18.689 4.493 ( 4.649 5.629 -8.609) 11.288 4.600 ( 4.613 2.182 -8.168) 9.631 4.820 ( 2.177 2.440 -0.823) 3.372 5.082 ( -2.376 -5.788 -6.256) 8.848 5.232 ( -0.019 7.400 -4.686) 8.759 5.269 ( 8.310 -2.835 -3.643) 9.506 5.476 ( 7.167 -8.995 -9.949) 15.207 5.556 ( -0.144 12.994 -16.424) 20.943 5.812 ( 17.071 6.036 -9.354) 20.380 6.390 ( -2.406 -4.630 -11.422) 12.557 6.620 ( -2.807 2.991 -10.053) 10.857 6.908 ( 10.828 8.854 -7.355) 15.803 7.541 ( -12.518 -10.744 5.870) 17.510 7.723 ( -4.736 1.950 8.999) 10.355 8.348 ( -6.245 -11.574 -6.411) 14.631 8.488 ( -8.124 0.622 -6.219) 10.250 8.749 ( 11.208 5.245 8.287) 14.893 9.025 ( -1.632 0.987 13.986) 14.115 9.608 ( -13.104 -1.579 6.769) 14.833 9.707 ( -1.000 -8.851 6.333) 10.930 9.916 ( 3.050 5.183 0.069) 6.014 10.198 ( 7.535 4.515 4.084) 9.688 10.477 ( -3.771 -0.560 4.972) 6.266 10.577 ( 7.227 0.713 6.133) 9.505 10.789 ( -7.562 -4.645 11.109) 14.219 12.211 ( -5.016 1.983 3.957) 6.690 12.331 ( 4.078 -1.478 1.144) 4.486 12.746 ( -6.182 -6.339 2.674) 9.249 12.867 ( 0.906 1.774 1.304) 2.381 13.217 ( 2.308 2.518 12.393) 12.856 14.430 ( -2.710 -3.111 -28.027) 28.329 14.943 ( -5.973 -5.891 5.217) 9.879 15.070 ( 1.064 8.736 -2.399) 9.122 15.351 ( -0.991 1.154 -7.261) 7.419 15.454 ( 5.647 -3.873 -4.140) 8.001 16.329 ( 5.279 3.899 5.853) 8.794 18.186 ( -4.450 -2.488 0.188) 5.102 ======================= Grid point 116 (51/60) ======================= q-point: (-0.43 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 16.233 13.914 -2.378) 21.512 1.056 ( -10.505 -13.399 -11.287) 20.428 1.347 ( -3.902 -3.087 -4.470) 6.689 1.493 ( -4.294 1.345 -7.370) 8.635 1.656 ( -2.821 -1.565 -8.226) 8.835 1.889 ( 2.479 0.899 6.997) 7.477 1.964 ( 0.033 -2.930 0.790) 3.034 1.981 ( -4.027 2.774 -4.875) 6.905 2.183 ( 1.143 1.165 -8.372) 8.529 2.330 ( 1.034 1.272 1.273) 2.075 2.428 ( 4.921 0.477 6.290) 8.000 2.496 ( 6.069 5.494 3.350) 8.845 2.759 ( 1.940 -1.021 4.302) 4.829 2.899 ( -3.278 -1.318 5.333) 6.397 3.101 ( 14.193 1.947 -8.900) 16.865 3.335 ( -8.335 -8.126 9.217) 14.848 3.519 ( -1.863 8.536 -8.372) 12.100 3.586 ( -4.640 -0.824 -2.256) 5.225 3.636 ( 7.293 -3.037 8.430) 11.552 3.745 ( 2.164 -0.123 4.400) 4.905 3.903 ( 1.909 -1.003 -8.287) 8.563 4.028 ( 4.481 6.503 -13.847) 15.941 4.437 ( 1.421 6.668 -2.035) 7.115 4.589 ( 2.603 20.495 2.838) 20.854 4.712 ( 13.427 2.532 -2.393) 13.872 4.942 ( 8.244 2.232 4.026) 9.442 4.992 ( 6.485 -7.149 -1.948) 9.847 5.212 ( 4.376 4.643 -7.075) 9.527 5.384 ( 15.564 5.313 -11.316) 19.963 5.525 ( 9.308 1.489 4.450) 10.424 5.659 ( 14.344 12.793 -2.669) 19.405 6.043 ( 20.153 0.259 -0.913) 20.175 6.242 ( 4.138 -8.172 -4.674) 10.284 6.538 ( -0.649 17.777 -9.585) 20.207 7.029 ( 8.636 10.413 -6.739) 15.114 7.292 ( -17.052 -9.114 3.281) 19.611 7.689 ( -7.444 1.689 -5.776) 9.573 8.050 ( -3.312 -18.040 -5.588) 19.173 8.276 ( -8.524 -0.038 -7.345) 11.252 8.990 ( -0.691 -1.765 8.461) 8.671 9.223 ( 6.749 4.939 10.523) 13.442 9.479 ( -14.225 -2.806 7.693) 16.414 9.709 ( -1.181 -2.366 2.821) 3.866 9.968 ( -0.082 3.831 0.048) 3.832 10.299 ( -8.097 -4.020 5.217) 10.437 10.458 ( -1.870 -0.578 3.235) 3.781 10.659 ( -14.785 -12.969 6.802) 20.810 10.813 ( 15.279 4.668 1.672) 16.064 12.128 ( -12.872 4.092 -4.192) 14.142 12.361 ( 6.524 -6.479 -1.080) 9.258 12.663 ( -6.171 -4.354 5.572) 9.386 12.920 ( 1.712 0.241 1.760) 2.467 13.418 ( 3.332 1.794 7.257) 8.185 14.035 ( -3.518 -1.875 -21.057) 21.431 14.885 ( -8.547 0.471 6.299) 10.628 15.113 ( -0.801 11.034 -1.559) 11.172 15.319 ( 7.931 -5.492 -4.195) 10.520 15.518 ( 9.546 -0.702 -0.435) 9.582 16.481 ( 2.382 2.610 4.778) 5.943 18.061 ( -8.148 -4.544 -0.616) 9.349 ======================= Grid point 117 (52/60) ======================= q-point: (-0.29 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -4.497 -3.748 -11.710) 13.092 0.949 ( -7.799 1.181 2.378) 8.239 1.332 ( -2.308 -0.918 -7.694) 8.085 1.347 ( 14.477 -0.451 -4.158) 15.069 1.555 ( 3.308 -0.227 -11.107) 11.591 1.744 ( -6.693 -3.655 -3.801) 8.521 1.935 ( -6.079 2.912 -6.107) 9.095 1.994 ( -1.604 2.610 1.204) 3.292 2.159 ( 2.732 4.777 -3.631) 6.593 2.412 ( 3.042 7.175 3.556) 8.566 2.443 ( -4.703 -6.274 4.173) 8.882 2.623 ( 6.380 -9.918 -1.779) 11.926 2.849 ( 4.787 -1.718 6.308) 8.103 3.009 ( -9.969 -2.631 5.387) 11.633 3.129 ( 8.894 -1.716 1.505) 9.183 3.312 ( -3.241 9.275 0.073) 9.826 3.397 ( -4.860 -6.478 -7.330) 10.923 3.544 ( 9.043 9.434 -5.463) 14.165 3.713 ( 6.528 -3.894 -7.373) 10.589 3.841 ( 1.859 4.905 2.173) 5.678 3.980 ( 11.891 0.837 1.618) 12.030 3.990 ( -0.777 12.524 -5.777) 13.814 4.487 ( 1.449 4.329 6.861) 8.242 4.829 ( -1.622 5.385 -0.734) 5.672 4.947 ( 17.320 0.651 1.890) 17.435 5.016 ( 4.624 9.955 4.591) 11.898 5.086 ( 18.078 -7.128 -5.826) 20.287 5.328 ( 6.301 6.522 -0.543) 9.085 5.489 ( 9.215 5.794 -7.251) 13.079 5.718 ( 0.530 7.676 -3.011) 8.263 5.965 ( 15.138 2.588 5.398) 16.279 6.245 ( 18.716 0.620 -0.307) 18.728 6.363 ( 5.047 -0.047 8.783) 10.130 6.724 ( 6.034 16.637 3.722) 18.085 7.052 ( -7.512 0.488 -2.395) 7.899 7.189 ( 12.598 10.491 -4.364) 16.966 7.409 ( -3.259 3.725 -22.667) 23.201 7.849 ( -4.131 -18.021 4.131) 18.944 8.117 ( -2.373 1.353 -4.487) 5.253 8.952 ( -7.002 -5.079 0.280) 8.654 9.264 ( -15.763 -5.014 7.271) 18.069 9.538 ( 6.050 -0.046 0.450) 6.067 9.715 ( -2.166 6.570 5.634) 8.922 9.960 ( -0.247 -1.986 -9.109) 9.326 10.083 ( -21.021 -1.463 8.148) 22.592 10.409 ( -13.288 -17.639 9.234) 23.937 10.472 ( -1.092 -7.339 4.119) 8.486 11.093 ( 15.079 7.501 -1.804) 16.938 11.821 ( -14.035 -3.667 -11.898) 18.761 12.389 ( 3.933 -2.377 -1.506) 4.835 12.627 ( -6.054 -0.974 5.751) 8.407 12.941 ( -0.682 -0.665 0.605) 1.129 13.294 ( -10.851 -8.237 -12.388) 18.413 14.016 ( 13.026 8.020 3.358) 15.661 14.856 ( -7.294 8.496 0.943) 11.238 15.168 ( 4.349 2.116 -6.545) 8.138 15.415 ( 8.773 -2.342 8.788) 12.636 15.661 ( 8.444 2.146 -0.012) 8.712 16.559 ( -1.088 -0.216 4.429) 4.566 17.889 ( -9.473 -5.360 1.185) 10.949 ======================= Grid point 122 (53/60) ======================= q-point: ( 0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 0.074 7.938 -2.934) 8.464 1.312 ( -6.744 -9.259 -10.554) 15.576 1.455 ( 3.920 1.114 -14.549) 15.110 1.580 ( 6.690 -3.336 -7.062) 10.283 1.661 ( -4.737 0.591 -3.831) 6.121 1.807 ( -2.735 1.717 -1.609) 3.608 1.978 ( 2.041 -8.869 8.990) 12.793 2.024 ( -0.207 -1.647 -10.043) 10.179 2.160 ( 5.267 -6.503 3.056) 8.909 2.285 ( -1.596 5.482 12.763) 13.982 2.376 ( -1.933 11.206 2.251) 11.592 2.450 ( -1.844 -4.242 1.903) 5.001 2.662 ( -0.330 -2.066 -3.799) 4.337 2.806 ( -0.059 6.554 -1.386) 6.699 3.038 ( -0.652 -11.719 -0.260) 11.740 3.370 ( 3.313 2.811 -4.599) 6.326 3.530 ( -5.113 2.698 8.782) 10.515 3.572 ( 2.121 -2.671 -11.189) 11.697 3.714 ( 1.773 3.867 7.499) 8.621 3.773 ( 0.886 7.409 -0.237) 7.466 3.898 ( -7.330 8.866 8.661) 14.400 4.142 ( 5.303 -0.642 -3.842) 6.580 4.191 ( -4.167 -1.386 -4.697) 6.430 4.243 ( 9.457 14.666 -0.123) 17.451 4.601 ( 1.668 11.818 -4.873) 12.892 4.844 ( -1.779 8.503 -1.028) 8.748 4.969 ( -5.240 -6.348 -12.731) 15.160 5.083 ( 1.923 -3.418 -7.526) 8.486 5.207 ( 1.361 2.955 -1.804) 3.721 5.431 ( -1.676 8.200 6.582) 10.648 5.500 ( 4.039 5.732 -9.430) 11.751 5.624 ( -7.004 17.958 -6.723) 20.415 6.239 ( -2.803 -6.198 -6.637) 9.504 6.529 ( 4.818 6.248 -15.239) 17.161 6.799 ( 0.732 18.759 -10.883) 21.699 7.659 ( -3.133 -12.390 3.781) 13.327 7.742 ( 6.528 -14.366 7.542) 17.489 8.222 ( -7.668 -14.328 -11.089) 19.674 8.437 ( 4.120 -1.322 -7.721) 8.850 8.868 ( -1.217 11.625 12.268) 16.945 9.156 ( 0.700 -6.272 10.157) 11.958 9.657 ( 2.800 -10.728 7.245) 13.245 9.816 ( -2.018 -6.837 3.112) 7.778 9.862 ( 0.371 2.214 -1.665) 2.795 10.287 ( 0.969 15.169 5.085) 16.028 10.566 ( 3.377 -3.770 5.165) 7.232 10.619 ( -4.340 0.726 4.663) 6.412 10.964 ( -1.133 -2.384 7.820) 8.253 12.199 ( 3.945 -11.597 2.144) 12.436 12.353 ( -2.721 1.788 0.187) 3.261 12.826 ( -4.124 -1.448 2.883) 5.236 12.862 ( 2.206 -0.618 1.408) 2.689 13.344 ( 0.688 1.407 9.247) 9.378 14.110 ( -0.439 -0.168 -23.723) 23.728 14.980 ( 1.714 -5.008 1.132) 5.413 15.054 ( 4.662 -3.569 0.001) 5.872 15.259 ( -1.706 1.753 -1.370) 2.804 15.412 ( -4.372 7.475 -5.721) 10.379 16.417 ( 0.528 5.549 6.444) 8.520 18.185 ( 0.052 -3.807 -1.101) 3.964 ======================= Grid point 123 (54/60) ======================= q-point: (-0.43 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 19.615 16.601 0.557) 25.703 0.949 ( -13.273 -5.356 -9.716) 17.299 1.325 ( -0.971 -0.392 -6.710) 6.791 1.411 ( -3.263 -4.468 -16.035) 16.963 1.582 ( -3.473 0.298 -8.104) 8.822 1.783 ( 9.992 -1.117 -5.021) 11.238 1.874 ( 0.780 -8.992 1.714) 9.187 2.046 ( 1.623 -1.357 0.112) 2.119 2.154 ( -9.485 -5.891 -2.292) 11.398 2.358 ( 1.140 6.103 6.090) 8.697 2.551 ( -1.022 7.368 12.346) 14.414 2.579 ( 9.274 -7.419 7.065) 13.819 2.635 ( -0.964 -3.270 1.927) 3.916 2.835 ( 7.440 2.799 -2.350) 8.289 3.049 ( -0.044 1.482 6.874) 7.032 3.368 ( 4.692 -4.199 -9.446) 11.352 3.421 ( -2.407 -2.500 -7.896) 8.625 3.468 ( 4.872 10.376 -12.193) 16.736 3.772 ( -9.166 -2.251 -0.007) 9.439 3.801 ( -12.663 -0.956 7.462) 14.729 3.933 ( 1.331 6.791 2.023) 7.210 4.123 ( -0.665 13.380 8.851) 16.056 4.367 ( 12.511 0.543 -3.676) 13.051 4.541 ( 0.413 16.548 -3.337) 16.886 4.681 ( 12.366 -6.749 -8.329) 16.366 4.779 ( 10.597 17.541 2.901) 20.698 4.986 ( -2.215 2.000 2.189) 3.701 5.120 ( 9.093 9.870 1.818) 13.542 5.155 ( 1.031 10.739 -11.894) 16.058 5.491 ( 8.142 2.908 3.021) 9.159 5.661 ( 1.715 16.662 0.864) 16.772 5.846 ( 11.922 6.040 12.718) 18.449 6.121 ( 1.883 -3.177 0.211) 3.699 6.486 ( 5.623 14.939 -15.054) 21.941 6.862 ( 7.730 20.796 -16.549) 27.679 7.531 ( -10.971 -13.029 8.424) 19.002 7.700 ( -6.906 -9.192 -4.108) 12.209 7.828 ( -2.533 -19.863 -8.066) 21.587 8.298 ( -5.959 -1.755 -5.996) 8.634 9.094 ( -1.204 -3.967 9.023) 9.930 9.235 ( 6.074 -0.983 7.389) 9.616 9.683 ( -7.832 -9.354 5.304) 13.303 9.739 ( 0.963 -1.705 3.999) 4.452 9.886 ( 4.128 1.558 -5.305) 6.900 10.492 ( -3.100 -0.565 10.584) 11.043 10.536 ( -6.587 1.896 -1.463) 7.008 10.684 ( 10.198 1.767 0.187) 10.351 10.879 ( -14.027 -6.227 3.868) 15.827 12.121 ( -1.642 -15.573 -5.894) 16.732 12.304 ( -2.088 0.741 1.735) 2.815 12.795 ( -5.634 -0.174 4.472) 7.195 12.893 ( 2.758 -1.670 0.383) 3.247 13.444 ( -0.192 -6.314 4.272) 7.626 13.868 ( -0.263 7.510 -14.010) 15.898 15.009 ( 0.552 -5.359 -5.273) 7.539 15.025 ( 3.936 -1.354 0.891) 4.257 15.314 ( -1.116 9.335 4.993) 10.646 15.408 ( 4.536 4.798 -0.594) 6.629 16.543 ( 1.391 4.046 3.936) 5.814 18.101 ( -4.286 -5.076 -1.323) 6.773 ======================= Grid point 124 (55/60) ======================= q-point: (-0.29 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -11.818 -3.442 7.890) 14.620 0.982 ( 17.885 9.871 -7.814) 21.871 1.141 ( -3.371 -0.878 -8.414) 9.107 1.211 ( -5.194 -3.555 -0.571) 6.320 1.413 ( -1.433 -0.565 -7.617) 7.771 1.833 ( -7.978 -3.726 1.803) 8.988 1.872 ( 3.750 -0.086 -5.727) 6.846 1.962 ( 10.482 -4.883 -4.404) 12.373 2.100 ( -2.487 4.473 2.689) 5.781 2.442 ( -0.260 3.889 -1.378) 4.134 2.543 ( -1.840 -7.956 3.584) 8.918 2.625 ( -3.545 -3.077 4.660) 6.614 2.751 ( 0.196 -0.561 4.870) 4.906 2.962 ( 5.322 -6.055 0.151) 8.063 3.204 ( 2.049 4.370 -3.954) 6.240 3.254 ( 1.044 0.348 -5.241) 5.356 3.305 ( 3.223 4.915 -2.609) 6.431 3.525 ( 4.877 10.121 -4.851) 12.238 3.613 ( -5.031 0.068 7.398) 8.947 3.884 ( 2.638 3.456 -0.342) 4.361 3.948 ( -0.502 2.635 2.193) 3.465 4.265 ( -10.131 12.468 3.215) 16.384 4.458 ( 16.044 1.476 -9.145) 18.526 4.587 ( 3.755 8.518 -1.002) 9.363 4.808 ( 11.880 -1.041 -1.077) 11.974 4.955 ( -2.039 2.290 1.458) 3.395 5.171 ( 10.143 17.375 5.500) 20.857 5.261 ( 9.667 7.902 0.496) 12.496 5.358 ( 4.356 6.686 1.445) 8.109 5.655 ( 6.043 9.696 -15.284) 19.082 5.875 ( 11.606 1.941 15.029) 19.088 6.050 ( 8.735 2.035 1.447) 9.085 6.462 ( 8.196 11.715 15.978) 21.441 6.630 ( 19.654 15.747 -6.392) 25.983 6.930 ( 5.537 17.218 -13.699) 22.689 7.208 ( -10.414 -7.566 -10.014) 16.309 7.423 ( -11.868 -9.372 -3.540) 15.531 7.746 ( 3.443 -5.111 7.052) 9.365 8.151 ( -5.244 -3.776 -0.605) 6.490 8.997 ( -7.548 -10.674 0.433) 13.080 9.404 ( -0.927 -3.531 2.740) 4.564 9.510 ( -5.985 -8.438 -0.117) 10.346 9.814 ( 1.570 5.785 -0.146) 5.996 9.834 ( -1.985 -2.488 -5.987) 6.780 10.332 ( -7.909 -11.112 -0.444) 13.646 10.456 ( -8.311 -13.399 5.594) 16.730 10.695 ( -14.104 -4.443 9.547) 17.601 10.952 ( 14.695 14.454 -0.362) 20.616 11.792 ( -11.656 -12.471 -9.076) 19.333 12.346 ( 2.449 -0.543 2.087) 3.263 12.768 ( -4.848 -0.191 3.628) 6.058 12.916 ( 1.768 -2.115 -0.025) 2.756 13.275 ( -10.177 -13.701 -1.528) 17.135 13.943 ( 9.324 13.299 -1.719) 16.333 14.890 ( 3.085 -7.017 -8.180) 11.210 15.053 ( -2.333 6.513 -1.726) 7.130 15.476 ( 3.907 6.362 5.761) 9.430 15.577 ( 8.002 5.333 3.117) 10.109 16.612 ( 0.124 1.332 1.561) 2.056 17.970 ( -5.930 -5.601 0.586) 8.178 ======================= Grid point 129 (56/60) ======================= q-point: ( 0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -14.220 12.486 -0.237) 18.925 1.045 ( 13.065 -4.048 -12.725) 18.682 1.285 ( -4.858 -1.167 -6.874) 8.498 1.367 ( 2.209 -6.865 -9.246) 11.726 1.568 ( 1.781 1.351 -10.000) 10.247 1.821 ( -0.340 -3.343 -7.703) 8.404 1.924 ( -5.465 -5.550 2.178) 8.088 2.040 ( 4.405 -7.555 -2.740) 9.165 2.080 ( -0.883 1.815 5.509) 5.867 2.395 ( 5.670 -6.225 2.519) 8.789 2.476 ( -2.427 8.376 6.057) 10.618 2.580 ( -0.098 6.638 11.028) 12.872 2.746 ( -10.888 -4.886 2.787) 12.255 2.890 ( -6.325 4.690 0.941) 7.930 3.024 ( 0.210 0.061 3.908) 3.915 3.249 ( -2.442 1.227 -10.724) 11.067 3.449 ( -4.049 2.163 -11.940) 12.792 3.577 ( -4.937 -4.243 -11.103) 12.870 3.775 ( 6.491 -0.771 10.655) 12.501 3.799 ( 14.167 5.670 3.907) 15.752 3.901 ( 4.530 7.954 0.276) 9.158 4.063 ( 7.873 0.965 -3.071) 8.506 4.322 ( -18.329 2.088 8.830) 20.452 4.418 ( 1.101 5.857 5.054) 7.814 4.630 ( -8.791 9.535 -9.294) 15.955 4.923 ( -16.009 9.323 -10.936) 21.512 5.031 ( -2.176 7.987 6.761) 10.688 5.065 ( -2.159 9.205 -1.993) 9.662 5.224 ( -1.923 5.619 -0.084) 5.939 5.462 ( -8.211 7.951 -7.587) 13.718 5.677 ( -4.969 15.242 11.531) 19.748 5.993 ( -14.205 17.641 3.486) 22.915 6.201 ( -7.418 -5.691 -6.879) 11.608 6.341 ( 1.217 12.680 -5.290) 13.793 6.833 ( -5.643 18.575 -15.404) 24.782 7.434 ( 12.442 -18.366 0.368) 22.187 7.595 ( 9.900 -18.596 2.720) 21.242 8.065 ( -4.861 -7.207 -13.092) 15.715 8.253 ( 8.900 -0.685 -2.157) 9.183 9.104 ( 2.190 -5.521 7.630) 9.669 9.255 ( -8.138 3.368 9.405) 12.885 9.595 ( 6.399 -13.707 8.568) 17.385 9.732 ( 3.738 0.713 -3.175) 4.956 9.902 ( -3.444 -5.137 0.920) 6.253 10.416 ( 7.528 -2.401 2.998) 8.452 10.541 ( 0.267 3.235 5.724) 6.580 10.749 ( -6.925 5.685 -1.474) 9.080 10.942 ( 9.548 -2.955 2.982) 10.430 12.014 ( 4.831 -17.904 -1.519) 18.607 12.379 ( -0.326 1.365 -1.657) 2.171 12.813 ( 4.969 -1.124 2.638) 5.737 12.921 ( -2.494 0.736 1.017) 2.792 13.475 ( -2.065 -2.909 7.054) 7.905 13.824 ( 2.347 3.716 -16.975) 17.535 14.870 ( 4.495 -8.836 -0.160) 9.915 15.007 ( -3.762 -3.320 2.378) 5.552 15.366 ( -2.538 9.654 1.027) 10.035 15.502 ( -5.547 9.213 -3.007) 11.167 16.533 ( -1.094 3.500 4.565) 5.855 18.099 ( 4.340 -5.151 -1.256) 6.852 ======================= Grid point 130 (57/60) ======================= q-point: (-0.43 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.637 19.240 3.148) 19.507 1.098 ( 5.569 -5.285 -14.602) 16.497 1.159 ( -10.442 -3.873 4.797) 12.127 1.171 ( 9.777 1.930 -2.337) 10.236 1.429 ( 1.012 -5.368 -8.653) 10.233 1.779 ( -7.143 2.089 1.081) 7.520 1.836 ( 1.828 -8.958 7.225) 11.652 2.027 ( 0.552 0.863 -1.780) 2.054 2.110 ( 1.935 -6.780 -1.318) 7.173 2.409 ( 2.863 -4.212 0.623) 5.130 2.548 ( -8.468 3.090 1.589) 9.153 2.696 ( 3.980 4.284 2.692) 6.437 2.833 ( 4.101 -0.053 14.371) 14.945 2.864 ( -7.830 5.565 3.468) 10.213 3.083 ( 2.648 1.411 2.566) 3.948 3.187 ( 2.372 0.746 -2.696) 3.667 3.300 ( 5.896 5.080 -6.460) 10.114 3.401 ( -6.805 3.118 -7.574) 10.649 3.754 ( 2.903 -6.177 -4.729) 8.303 3.952 ( -3.587 -2.360 -5.172) 6.722 3.978 ( -0.746 -1.133 -1.617) 2.110 4.155 ( -5.765 -3.516 -6.707) 9.517 4.328 ( 8.941 13.036 10.229) 18.829 4.472 ( 3.807 9.666 1.538) 10.502 4.763 ( 8.223 19.328 1.244) 21.042 4.823 ( -6.285 12.803 5.158) 15.167 5.054 ( -5.114 9.007 -9.229) 13.873 5.091 ( -2.502 10.236 -0.132) 10.538 5.332 ( -3.012 10.711 11.603) 16.076 5.375 ( 5.006 6.817 -6.532) 10.686 5.888 ( -2.671 16.455 6.239) 17.799 6.008 ( -2.544 11.112 -7.799) 13.812 6.208 ( 4.022 6.442 16.710) 18.354 6.393 ( -4.061 17.005 2.095) 17.608 6.740 ( 2.644 23.593 -21.778) 32.216 7.415 ( 8.270 -20.800 -0.887) 22.401 7.553 ( -5.579 -26.084 -0.562) 26.680 7.834 ( -1.368 1.808 0.866) 2.427 8.229 ( -0.298 -5.965 -4.829) 7.681 9.115 ( -0.028 -12.881 3.408) 13.324 9.331 ( -2.027 3.749 8.492) 9.502 9.652 ( 3.318 -13.569 3.159) 14.322 9.756 ( 1.637 3.952 -0.981) 4.389 9.832 ( -1.607 -3.155 0.341) 3.557 10.521 ( 5.819 -8.390 -2.217) 10.448 10.589 ( -2.675 -8.623 2.084) 9.266 10.680 ( -4.754 14.328 0.168) 15.097 10.938 ( -0.015 -5.650 -3.822) 6.821 11.924 ( 2.710 -19.342 1.236) 19.570 12.351 ( -2.003 0.445 -0.613) 2.142 12.830 ( 0.508 -4.013 -1.764) 4.413 12.910 ( -1.634 0.872 2.323) 2.971 13.435 ( -2.237 -15.002 2.464) 15.366 13.795 ( 3.035 16.476 -6.730) 18.054 14.910 ( -2.750 -4.742 -0.333) 5.492 14.974 ( 5.795 -1.826 3.972) 7.259 15.433 ( 0.071 8.194 -0.355) 8.202 15.482 ( -3.160 11.341 -0.106) 11.773 16.594 ( 0.230 2.952 1.070) 3.148 18.063 ( 0.019 -6.534 -1.559) 6.718 ======================= Grid point 131 (58/60) ======================= q-point: (-0.29 -0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 3.023 -1.207 -8.030) 8.665 0.987 ( -1.348 -3.681 -6.757) 7.812 1.148 ( -8.153 11.252 10.783) 17.588 1.346 ( 1.377 3.177 -0.070) 3.463 1.409 ( 3.307 -0.475 14.024) 14.416 1.733 ( -0.240 -4.659 1.248) 4.829 1.849 ( -3.367 -6.269 0.662) 7.147 1.955 ( -3.089 0.863 2.598) 4.127 2.124 ( 3.160 -1.181 0.219) 3.381 2.379 ( 0.055 -0.144 -3.969) 3.972 2.564 ( -0.990 -0.294 1.597) 1.902 2.698 ( 6.097 -0.925 -3.054) 6.882 2.808 ( -12.884 1.167 1.073) 12.981 3.000 ( -1.489 5.038 4.271) 6.770 3.148 ( 1.151 3.643 -7.636) 8.539 3.278 ( -5.700 8.296 1.153) 10.131 3.312 ( 5.449 -3.393 10.359) 12.187 3.434 ( 6.130 -2.501 2.896) 7.227 3.788 ( 7.748 5.781 -4.342) 10.598 3.808 ( -2.041 1.840 4.949) 5.660 3.921 ( 1.828 -6.773 -6.903) 9.843 4.056 ( 9.936 7.336 -5.635) 13.576 4.531 ( 5.584 7.788 -5.356) 10.978 4.674 ( -11.084 8.891 0.826) 14.233 4.792 ( -0.184 21.247 -0.229) 21.249 5.037 ( 4.202 1.503 5.614) 7.172 5.121 ( 6.747 8.340 2.478) 11.010 5.201 ( 7.549 13.228 -0.673) 15.245 5.449 ( 5.837 7.048 -8.048) 12.187 5.539 ( -0.643 9.056 9.584) 13.202 6.008 ( 4.599 8.360 -2.624) 9.896 6.068 ( -5.327 7.790 11.990) 15.259 6.386 ( 8.765 20.326 -14.265) 26.334 6.735 ( 4.620 15.990 6.084) 17.721 6.872 ( 11.791 23.174 5.533) 26.584 7.150 ( -9.340 -19.804 -4.718) 22.398 7.276 ( -2.423 -14.463 -1.828) 14.779 7.946 ( -4.144 4.975 10.873) 12.655 8.107 ( 1.663 -10.795 -2.246) 11.151 8.999 ( -4.782 -11.457 0.454) 12.424 9.391 ( -2.610 -9.850 -1.524) 10.303 9.512 ( -3.950 -4.618 0.143) 6.078 9.740 ( -2.516 3.466 -10.578) 11.413 9.881 ( 1.300 -0.236 7.021) 7.144 10.224 ( -7.571 -18.057 -8.726) 21.436 10.556 ( -3.567 -7.721 3.584) 9.230 10.726 ( 6.069 -10.271 -1.414) 12.014 10.984 ( 4.627 16.449 1.802) 17.183 11.763 ( -8.236 -14.582 1.133) 16.785 12.354 ( 0.545 0.246 3.110) 3.167 12.762 ( 1.384 -6.249 -3.499) 7.294 12.930 ( -1.265 0.141 1.993) 2.365 13.289 ( -5.107 -16.500 5.554) 18.143 13.942 ( 4.723 18.260 -3.293) 19.146 14.762 ( -5.728 -6.093 -2.408) 8.703 15.099 ( 0.946 4.868 0.389) 4.974 15.499 ( 4.455 8.076 -1.766) 9.391 15.611 ( 3.301 7.708 3.538) 9.101 16.609 ( 0.853 1.023 -2.268) 2.630 17.969 ( -1.895 -7.960 -0.674) 8.210 ======================= Grid point 171 (59/60) ======================= q-point: ( 0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.266 ( -0.000 -0.000 1.963) 1.963 1.190 ( 0.000 0.000 -13.716) 13.716 1.190 ( 0.000 0.000 -13.716) 13.716 1.593 ( 0.000 0.000 -7.579) 7.579 1.593 ( 0.000 -0.000 -7.579) 7.579 1.782 ( -0.000 -0.000 1.195) 1.195 1.930 ( 0.000 0.000 -6.230) 6.230 2.270 ( -0.000 -0.000 3.359) 3.359 2.270 ( -0.000 -0.000 3.359) 3.359 2.315 ( -0.000 -0.000 8.578) 8.578 2.315 ( -0.000 -0.000 8.578) 8.578 2.451 ( 0.000 0.000 -1.832) 1.832 2.712 ( -0.000 0.000 3.796) 3.796 2.712 ( -0.000 -0.000 3.796) 3.796 3.195 ( 0.000 0.000 -3.244) 3.244 3.195 ( 0.000 -0.000 -3.244) 3.244 3.467 ( 0.000 0.000 -12.615) 12.615 3.467 ( 0.000 0.000 -12.615) 12.615 3.752 ( -0.000 -0.000 17.070) 17.070 3.873 ( -0.000 -0.000 8.302) 8.302 3.992 ( -0.000 0.000 5.226) 5.226 3.992 ( 0.000 -0.000 5.226) 5.226 4.265 ( 0.000 0.000 -0.706) 0.706 4.265 ( 0.000 -0.000 -0.706) 0.706 4.302 ( -0.000 -0.000 4.337) 4.337 4.730 ( 0.000 0.000 -10.785) 10.785 4.934 ( 0.000 0.000 -3.239) 3.239 4.986 ( 0.000 0.000 -16.189) 16.189 4.986 ( 0.000 -0.000 -16.189) 16.189 5.233 ( 0.000 0.000 -9.292) 9.292 5.553 ( -0.000 0.000 14.906) 14.906 5.553 ( -0.000 -0.000 14.906) 14.906 6.225 ( 0.000 0.000 -3.850) 3.850 6.395 ( 0.000 0.000 -13.726) 13.726 6.395 ( 0.000 0.000 -13.726) 13.726 7.835 ( 0.000 0.000 -0.265) 0.265 7.835 ( 0.000 -0.000 -0.265) 0.265 8.336 ( 0.000 0.000 -5.595) 5.595 8.336 ( 0.000 0.000 -5.595) 5.595 8.885 ( -0.000 -0.000 13.107) 13.107 9.316 ( -0.000 -0.000 6.723) 6.723 9.635 ( 0.000 0.000 -7.159) 7.159 9.954 ( -0.000 0.000 3.813) 3.813 9.954 ( -0.000 -0.000 3.813) 3.813 10.155 ( -0.000 -0.000 3.315) 3.315 10.684 ( -0.000 -0.000 4.927) 4.927 10.684 ( -0.000 -0.000 4.927) 4.927 11.094 ( -0.000 -0.000 5.452) 5.452 12.338 ( -0.000 0.000 1.566) 1.566 12.338 ( -0.000 0.000 1.566) 1.566 12.882 ( -0.000 0.000 1.436) 1.436 12.882 ( -0.000 -0.000 1.436) 1.436 13.382 ( -0.000 -0.000 1.619) 1.619 13.883 ( 0.000 0.000 -12.804) 12.804 15.077 ( -0.000 0.000 2.510) 2.510 15.077 ( 0.000 -0.000 2.510) 2.510 15.219 ( 0.000 -0.000 -5.786) 5.786 15.219 ( 0.000 -0.000 -5.786) 5.786 16.461 ( -0.000 -0.000 6.218) 6.218 18.203 ( 0.000 0.000 -1.237) 1.237 ======================= Grid point 172 (60/60) ======================= q-point: (-0.43 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( 10.203 7.107 -0.400) 12.441 1.017 ( -4.993 -4.786 5.136) 8.615 1.175 ( 4.273 1.790 -8.329) 9.530 1.409 ( -8.661 -2.957 -8.426) 12.440 1.469 ( -2.011 -0.764 -2.623) 3.392 1.742 ( 0.280 -1.011 -3.075) 3.250 1.941 ( 3.925 1.666 -0.431) 4.285 2.159 ( -14.321 -3.016 -1.974) 14.768 2.218 ( -5.630 -9.123 2.906) 11.107 2.408 ( 4.859 -3.868 3.357) 7.060 2.431 ( 4.850 12.289 3.038) 13.556 2.632 ( 12.297 4.297 -5.761) 14.243 2.738 ( -2.137 2.872 10.891) 11.464 2.847 ( 6.430 -0.315 3.161) 7.172 3.083 ( -3.170 -1.191 0.333) 3.402 3.203 ( -0.595 -2.270 -15.623) 15.798 3.265 ( -1.808 5.408 5.551) 7.958 3.390 ( 2.494 -3.896 -9.834) 10.867 3.835 ( -6.102 -5.087 1.796) 8.145 3.922 ( -0.348 2.869 5.407) 6.131 4.001 ( -10.402 -6.852 7.097) 14.336 4.099 ( 0.220 6.414 10.121) 11.984 4.309 ( 6.325 -4.075 -8.764) 11.550 4.367 ( 15.413 4.468 8.515) 18.167 4.465 ( -1.147 7.722 -8.691) 11.682 4.650 ( 13.655 13.253 -7.628) 20.500 4.817 ( 7.001 -0.394 -2.332) 7.389 5.011 ( 10.976 2.904 -4.336) 12.154 5.061 ( 9.489 2.799 9.207) 13.515 5.220 ( 10.339 10.164 -11.038) 18.222 5.726 ( 2.876 0.177 14.627) 14.908 5.832 ( 6.816 3.185 -0.557) 7.545 6.218 ( 1.655 3.001 1.637) 3.797 6.226 ( 5.325 2.782 3.261) 6.836 6.379 ( 10.431 5.641 -19.052) 22.442 7.699 ( -13.904 -1.883 -0.559) 14.042 7.777 ( -4.712 -7.532 1.598) 9.027 8.088 ( -14.864 -10.777 -6.984) 19.644 8.259 ( -3.204 -0.676 1.337) 3.537 9.167 ( 10.665 5.523 5.968) 13.412 9.317 ( -4.623 -2.539 1.398) 5.456 9.616 ( 5.186 3.807 -3.758) 7.451 9.852 ( -10.476 -4.538 2.641) 11.718 9.953 ( -2.580 -3.351 -0.395) 4.248 10.356 ( 12.767 7.991 1.916) 15.183 10.657 ( -7.607 -3.014 3.196) 8.785 10.723 ( -0.220 -1.426 -0.352) 1.486 11.057 ( -8.072 -5.479 2.551) 10.083 12.226 ( -12.630 -5.074 -1.631) 13.708 12.345 ( 0.373 -1.555 0.580) 1.701 12.866 ( -2.630 -1.801 2.005) 3.766 12.909 ( 1.462 0.268 -0.132) 1.492 13.493 ( 10.630 5.994 1.408) 12.284 13.701 ( -8.728 -4.564 -5.189) 11.133 15.009 ( -7.888 0.794 -0.278) 7.932 15.043 ( -1.234 -3.809 -2.122) 4.532 15.249 ( 7.150 3.719 3.465) 8.773 15.317 ( 10.304 4.287 -2.776) 11.501 16.541 ( 2.223 1.374 2.176) 3.401 18.154 ( -3.916 -2.247 -0.426) 4.535 =================== 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 3/20580 10.0 6.473 6.473 6.763 0.000 -0.000 -0.000 3/20580 20.0 2.563 2.563 2.996 0.000 -0.000 -0.000 3/20580 30.0 1.724 1.724 2.131 0.000 -0.000 -0.000 3/20580 40.0 1.366 1.366 1.704 0.000 -0.000 -0.000 3/20580 50.0 1.154 1.154 1.432 0.000 -0.000 -0.000 3/20580 60.0 1.006 1.006 1.238 0.000 -0.000 -0.000 3/20580 70.0 0.895 0.895 1.091 0.000 -0.000 -0.000 3/20580 80.0 0.808 0.808 0.976 0.000 -0.000 -0.000 3/20580 90.0 0.737 0.737 0.883 0.000 -0.000 -0.000 3/20580 100.0 0.679 0.679 0.807 0.000 -0.000 -0.000 3/20580 110.0 0.629 0.629 0.744 0.000 -0.000 -0.000 3/20580 120.0 0.587 0.587 0.691 0.000 -0.000 -0.000 3/20580 130.0 0.551 0.551 0.645 0.000 -0.000 -0.000 3/20580 140.0 0.519 0.519 0.605 0.000 -0.000 -0.000 3/20580 150.0 0.490 0.490 0.570 0.000 -0.000 -0.000 3/20580 160.0 0.465 0.465 0.539 0.000 -0.000 -0.000 3/20580 170.0 0.442 0.442 0.512 0.000 -0.000 -0.000 3/20580 180.0 0.421 0.421 0.487 0.000 -0.000 -0.000 3/20580 190.0 0.403 0.403 0.465 0.000 -0.000 -0.000 3/20580 200.0 0.385 0.385 0.445 0.000 -0.000 -0.000 3/20580 210.0 0.370 0.370 0.426 0.000 -0.000 -0.000 3/20580 220.0 0.355 0.355 0.409 0.000 -0.000 -0.000 3/20580 230.0 0.342 0.342 0.393 0.000 -0.000 -0.000 3/20580 240.0 0.329 0.329 0.378 0.000 -0.000 -0.000 3/20580 250.0 0.318 0.318 0.365 0.000 -0.000 -0.000 3/20580 260.0 0.307 0.307 0.352 0.000 -0.000 -0.000 3/20580 270.0 0.296 0.296 0.340 0.000 -0.000 -0.000 3/20580 280.0 0.287 0.287 0.329 0.000 -0.000 -0.000 3/20580 290.0 0.278 0.278 0.319 0.000 -0.000 -0.000 3/20580 300.0 0.270 0.270 0.309 0.000 -0.000 -0.000 3/20580 310.0 0.262 0.262 0.300 0.000 -0.000 -0.000 3/20580 320.0 0.254 0.254 0.292 0.000 -0.000 -0.000 3/20580 330.0 0.247 0.247 0.283 0.000 -0.000 -0.000 3/20580 340.0 0.240 0.240 0.276 0.000 -0.000 -0.000 3/20580 350.0 0.234 0.234 0.268 0.000 -0.000 -0.000 3/20580 360.0 0.228 0.228 0.261 0.000 -0.000 -0.000 3/20580 370.0 0.222 0.222 0.255 0.000 -0.000 -0.000 3/20580 380.0 0.217 0.217 0.248 0.000 -0.000 -0.000 3/20580 390.0 0.212 0.212 0.242 0.000 -0.000 -0.000 3/20580 400.0 0.207 0.207 0.237 0.000 -0.000 -0.000 3/20580 410.0 0.202 0.202 0.231 0.000 -0.000 -0.000 3/20580 420.0 0.197 0.197 0.226 0.000 -0.000 -0.000 3/20580 430.0 0.193 0.193 0.221 0.000 -0.000 -0.000 3/20580 440.0 0.189 0.189 0.216 0.000 -0.000 -0.000 3/20580 450.0 0.185 0.185 0.212 0.000 -0.000 -0.000 3/20580 460.0 0.181 0.181 0.207 0.000 -0.000 -0.000 3/20580 470.0 0.177 0.177 0.203 0.000 -0.000 -0.000 3/20580 480.0 0.174 0.174 0.199 0.000 -0.000 -0.000 3/20580 490.0 0.170 0.170 0.195 0.000 -0.000 -0.000 3/20580 500.0 0.167 0.167 0.191 0.000 -0.000 -0.000 3/20580 510.0 0.164 0.164 0.188 0.000 -0.000 -0.000 3/20580 520.0 0.161 0.161 0.184 0.000 -0.000 -0.000 3/20580 530.0 0.158 0.158 0.181 0.000 -0.000 -0.000 3/20580 540.0 0.155 0.155 0.178 0.000 -0.000 -0.000 3/20580 550.0 0.152 0.152 0.175 0.000 -0.000 -0.000 3/20580 560.0 0.150 0.150 0.172 0.000 -0.000 -0.000 3/20580 570.0 0.147 0.147 0.169 0.000 -0.000 -0.000 3/20580 580.0 0.145 0.145 0.166 0.000 -0.000 -0.000 3/20580 590.0 0.142 0.142 0.163 0.000 -0.000 -0.000 3/20580 600.0 0.140 0.140 0.160 0.000 -0.000 -0.000 3/20580 610.0 0.138 0.138 0.158 0.000 -0.000 -0.000 3/20580 620.0 0.136 0.136 0.155 0.000 -0.000 -0.000 3/20580 630.0 0.134 0.134 0.153 0.000 -0.000 -0.000 3/20580 640.0 0.132 0.132 0.151 0.000 -0.000 -0.000 3/20580 650.0 0.130 0.130 0.148 0.000 -0.000 -0.000 3/20580 660.0 0.128 0.128 0.146 0.000 -0.000 -0.000 3/20580 670.0 0.126 0.126 0.144 0.000 -0.000 -0.000 3/20580 680.0 0.124 0.124 0.142 0.000 -0.000 -0.000 3/20580 690.0 0.122 0.122 0.140 0.000 -0.000 -0.000 3/20580 700.0 0.121 0.121 0.138 0.000 -0.000 -0.000 3/20580 710.0 0.119 0.119 0.136 0.000 -0.000 -0.000 3/20580 720.0 0.117 0.117 0.134 0.000 -0.000 -0.000 3/20580 730.0 0.116 0.116 0.132 0.000 -0.000 -0.000 3/20580 740.0 0.114 0.114 0.131 0.000 -0.000 -0.000 3/20580 750.0 0.113 0.113 0.129 0.000 -0.000 -0.000 3/20580 760.0 0.111 0.111 0.127 0.000 -0.000 -0.000 3/20580 770.0 0.110 0.110 0.126 0.000 -0.000 -0.000 3/20580 780.0 0.108 0.108 0.124 0.000 -0.000 -0.000 3/20580 790.0 0.107 0.107 0.123 0.000 -0.000 -0.000 3/20580 800.0 0.106 0.106 0.121 0.000 -0.000 -0.000 3/20580 810.0 0.104 0.104 0.120 0.000 -0.000 -0.000 3/20580 820.0 0.103 0.103 0.118 0.000 -0.000 -0.000 3/20580 830.0 0.102 0.102 0.117 0.000 -0.000 -0.000 3/20580 840.0 0.101 0.101 0.115 0.000 -0.000 -0.000 3/20580 850.0 0.100 0.100 0.114 0.000 -0.000 -0.000 3/20580 860.0 0.098 0.098 0.113 0.000 -0.000 -0.000 3/20580 870.0 0.097 0.097 0.111 0.000 -0.000 -0.000 3/20580 880.0 0.096 0.096 0.110 0.000 -0.000 -0.000 3/20580 890.0 0.095 0.095 0.109 0.000 -0.000 -0.000 3/20580 900.0 0.094 0.094 0.108 0.000 -0.000 -0.000 3/20580 910.0 0.093 0.093 0.107 0.000 -0.000 -0.000 3/20580 920.0 0.092 0.092 0.106 0.000 -0.000 -0.000 3/20580 930.0 0.091 0.091 0.104 0.000 -0.000 -0.000 3/20580 940.0 0.090 0.090 0.103 0.000 -0.000 -0.000 3/20580 950.0 0.089 0.089 0.102 0.000 -0.000 -0.000 3/20580 960.0 0.088 0.088 0.101 0.000 -0.000 -0.000 3/20580 970.0 0.087 0.087 0.100 0.000 -0.000 -0.000 3/20580 980.0 0.087 0.087 0.099 0.000 -0.000 -0.000 3/20580 990.0 0.086 0.086 0.098 0.000 -0.000 -0.000 3/20580 1000.0 0.085 0.085 0.097 0.000 -0.000 -0.000 3/20580 Thermal conductivity related properties were written into "kappa-m777.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:36:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|