----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:11:03]------------------------- 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 3.523185955933941 2.034112360063566 6.499187096666660 b -3.523185955933934 2.034112360063566 6.499187096666660 c 0.000000000000004 -4.068224720127138 6.499187096666660 Atomic positions (fractional): *1 Li 0.91351759489899 0.31543877621484 0.63139056306482 6.941 2 Li 0.68456122378516 0.36860943693518 0.08648240510102 6.941 3 Li 0.63139056306482 0.91351759489899 0.31543877621484 6.941 4 Li 0.36860943693518 0.08648240510102 0.68456122378516 6.941 5 Li 0.31543877621484 0.63139056306482 0.91351759489899 6.941 6 Li 0.08648240510102 0.68456122378516 0.36860943693518 6.941 *7 Bi 0.83155586204311 0.83155586204311 0.83155586204311 208.980 8 Bi 0.16844413795689 0.16844413795689 0.16844413795689 208.980 *9 S 0.95542221357218 0.57863005701498 0.22677615843562 32.065 10 S 0.77322384156438 0.04457778642782 0.42136994298502 32.065 11 S 0.57863005701497 0.22677615843563 0.95542221357218 32.065 12 S 0.42136994298502 0.77322384156438 0.04457778642782 32.065 13 S 0.22677615843562 0.95542221357218 0.57863005701498 32.065 14 S 0.04457778642782 0.42136994298503 0.77322384156437 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.046371911867876 0.000000000000000 0.000000000000000 b -3.523185955933938 6.102337080190704 0.000000000000000 c 0.000000000000000 0.000000000000000 19.497561290000000 Atomic positions (fractional): *1 Li 0.62673528350610 0.65539174832806 0.28678231139288 6.941 > 1 2 Li 0.63801020184471 0.96006861683944 0.04655102194045 6.941 > 2 3 Li 0.34460825167194 0.97134353517804 0.28678231139288 6.941 > 3 4 Li 0.32205841499473 0.36198979815529 0.04655102194045 6.941 > 4 5 Li 0.02865646482196 0.37326471649390 0.28678231139288 6.941 > 5 6 Li 0.03993138316056 0.67794158500527 0.04655102194045 6.941 > 6 7 Li 0.29340195017277 0.98872508166140 0.62011564472621 6.941 > 1 8 Li 0.30467686851137 0.29340195017277 0.37988435527379 6.941 > 2 9 Li 0.01127491833860 0.30467686851137 0.62011564472621 6.941 > 3 10 Li 0.98872508166140 0.69532313148863 0.37988435527379 6.941 > 4 11 Li 0.69532313148863 0.70659804982723 0.62011564472621 6.941 > 5 12 Li 0.70659804982723 0.01127491833860 0.37988435527379 6.941 > 6 13 Li 0.96006861683944 0.32205841499473 0.95344897805955 6.941 > 1 14 Li 0.97134353517804 0.62673528350610 0.71321768860712 6.941 > 2 15 Li 0.67794158500527 0.63801020184471 0.95344897805955 6.941 > 3 16 Li 0.65539174832806 0.02865646482196 0.71321768860712 6.941 > 4 17 Li 0.36198979815529 0.03993138316056 0.95344897805955 6.941 > 5 18 Li 0.37326471649390 0.34460825167194 0.71321768860712 6.941 > 6 *19 Bi 0.66666666666667 0.33333333333333 0.16488919537644 208.980 > 7 20 Bi 0.00000000000000 0.00000000000000 0.16844413795689 208.980 > 8 21 Bi 0.33333333333333 0.66666666666667 0.49822252870977 208.980 > 7 22 Bi 0.66666666666667 0.33333333333333 0.50177747129023 208.980 > 8 23 Bi 0.00000000000000 0.00000000000000 0.83155586204311 208.980 > 7 24 Bi 0.33333333333333 0.66666666666667 0.83511080462356 208.980 > 8 *25 S 0.70181273723125 0.02683331790530 0.25360947634093 32.065 > 9 26 S 0.69349998457197 0.65835391400738 0.07972385699241 32.065 > 10 27 S 0.32502058067405 0.29818726276875 0.25360947634093 32.065 > 11 28 S 0.34164608599262 0.03514607056459 0.07972385699241 32.065 > 12 29 S 0.97316668209470 0.67497941932595 0.25360947634093 32.065 > 13 30 S 0.96485392943541 0.30650001542803 0.07972385699241 32.065 > 14 31 S 0.36847940389792 0.36016665123864 0.58694280967426 32.065 > 9 32 S 0.36016665123864 0.99168724734072 0.41305719032574 32.065 > 10 33 S 0.99168724734072 0.63152059610208 0.58694280967426 32.065 > 11 34 S 0.00831275265928 0.36847940389792 0.41305719032574 32.065 > 12 35 S 0.63983334876136 0.00831275265928 0.58694280967426 32.065 > 13 36 S 0.63152059610208 0.63983334876136 0.41305719032574 32.065 > 14 37 S 0.03514607056459 0.69349998457197 0.92027614300759 32.065 > 9 38 S 0.02683331790530 0.32502058067405 0.74639052365907 32.065 > 10 39 S 0.65835391400738 0.96485392943541 0.92027614300759 32.065 > 11 40 S 0.67497941932595 0.70181273723125 0.74639052365907 32.065 > 12 41 S 0.30650001542803 0.34164608599262 0.92027614300759 32.065 > 13 42 S 0.29818726276875 0.97316668209470 0.74639052365907 32.065 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.046371911867876 0.000000000000000 0.000000000000000 b -3.523185955933938 6.102337080190704 0.000000000000000 c 0.000000000000000 0.000000000000000 19.497561290000000 Atomic positions (fractional): *1 Li 0.62673528350610 0.65539174832806 0.28678231139288 6.941 > 1 2 Li 0.63801020184471 0.96006861683944 0.04655102194045 6.941 > 2 3 Li 0.34460825167194 0.97134353517804 0.28678231139288 6.941 > 3 4 Li 0.32205841499473 0.36198979815529 0.04655102194045 6.941 > 4 5 Li 0.02865646482196 0.37326471649390 0.28678231139288 6.941 > 5 6 Li 0.03993138316056 0.67794158500527 0.04655102194045 6.941 > 6 7 Li 0.29340195017277 0.98872508166140 0.62011564472621 6.941 > 1 8 Li 0.30467686851137 0.29340195017277 0.37988435527379 6.941 > 2 9 Li 0.01127491833860 0.30467686851137 0.62011564472621 6.941 > 3 10 Li 0.98872508166140 0.69532313148863 0.37988435527379 6.941 > 4 11 Li 0.69532313148863 0.70659804982723 0.62011564472621 6.941 > 5 12 Li 0.70659804982723 0.01127491833860 0.37988435527379 6.941 > 6 13 Li 0.96006861683944 0.32205841499473 0.95344897805955 6.941 > 1 14 Li 0.97134353517804 0.62673528350610 0.71321768860712 6.941 > 2 15 Li 0.67794158500527 0.63801020184471 0.95344897805955 6.941 > 3 16 Li 0.65539174832806 0.02865646482196 0.71321768860712 6.941 > 4 17 Li 0.36198979815529 0.03993138316056 0.95344897805955 6.941 > 5 18 Li 0.37326471649390 0.34460825167194 0.71321768860712 6.941 > 6 *19 Bi 0.66666666666667 0.33333333333333 0.16488919537644 208.980 > 7 20 Bi 0.00000000000000 0.00000000000000 0.16844413795689 208.980 > 8 21 Bi 0.33333333333333 0.66666666666667 0.49822252870977 208.980 > 7 22 Bi 0.66666666666667 0.33333333333333 0.50177747129023 208.980 > 8 23 Bi 0.00000000000000 0.00000000000000 0.83155586204311 208.980 > 7 24 Bi 0.33333333333333 0.66666666666667 0.83511080462356 208.980 > 8 *25 S 0.70181273723125 0.02683331790530 0.25360947634093 32.065 > 9 26 S 0.69349998457197 0.65835391400738 0.07972385699241 32.065 > 10 27 S 0.32502058067405 0.29818726276875 0.25360947634093 32.065 > 11 28 S 0.34164608599262 0.03514607056459 0.07972385699241 32.065 > 12 29 S 0.97316668209470 0.67497941932595 0.25360947634093 32.065 > 13 30 S 0.96485392943541 0.30650001542803 0.07972385699241 32.065 > 14 31 S 0.36847940389792 0.36016665123864 0.58694280967426 32.065 > 9 32 S 0.36016665123864 0.99168724734072 0.41305719032574 32.065 > 10 33 S 0.99168724734072 0.63152059610208 0.58694280967426 32.065 > 11 34 S 0.00831275265928 0.36847940389792 0.41305719032574 32.065 > 12 35 S 0.63983334876136 0.00831275265928 0.58694280967426 32.065 > 13 36 S 0.63152059610208 0.63983334876136 0.41305719032574 32.065 > 14 37 S 0.03514607056459 0.69349998457197 0.92027614300759 32.065 > 9 38 S 0.02683331790530 0.32502058067405 0.74639052365907 32.065 > 10 39 S 0.65835391400738 0.96485392943541 0.92027614300759 32.065 > 11 40 S 0.67497941932595 0.70181273723125 0.74639052365907 32.065 > 12 41 S 0.30650001542803 0.34164608599262 0.92027614300759 32.065 > 13 42 S 0.29818726276875 0.97316668209470 0.74639052365907 32.065 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8052786 0.0000018 0.0000000 -0.0000018 6.8052786 0.0000000 0.0000000 0.0000000 6.5014780 -------------------------- Born effective charges -------------------------- 1 Li 0.5777843 0.1005392 -0.2129661 0.1035433 1.4915923 -0.1888274 -0.0243704 -0.0079645 1.3618116 2 Li 1.1747700 -0.4482131 -0.0570463 -0.4452091 0.8946065 0.2788477 0.0052877 0.0250877 1.3618116 3 Li 1.3515106 0.3431678 0.2700124 0.3461719 0.7178660 -0.0900204 0.0190827 -0.0171231 1.3618116 4 Li 1.3515106 0.3431678 0.2700124 0.3461719 0.7178660 -0.0900204 0.0190827 -0.0171231 1.3618116 5 Li 1.1747700 -0.4482131 -0.0570463 -0.4452091 0.8946065 0.2788477 0.0052877 0.0250877 1.3618116 6 Li 0.5777843 0.1005392 -0.2129661 0.1035433 1.4915923 -0.1888274 -0.0243704 -0.0079645 1.3618116 7 Bi 4.8185252 -0.0122184 -0.0000000 0.0122184 4.8185252 0.0000000 -0.0000000 0.0000000 3.4352540 8 Bi 4.8185252 -0.0122184 -0.0000000 0.0122184 4.8185252 0.0000000 -0.0000000 0.0000000 3.4352540 9 S -3.0127991 0.6651435 0.4063675 0.6539939 -2.2689276 0.7384872 0.4035245 0.6527380 -2.5068963 10 S -1.8836922 -0.0021037 -0.8427324 -0.0132533 -3.3980345 -0.0173190 -0.7670499 0.0230935 -2.5068963 11 S -3.0260987 -0.6463154 0.4363649 -0.6574650 -2.2556279 -0.7211682 0.3635254 -0.6758314 -2.5068963 12 S -3.0260987 -0.6463154 0.4363649 -0.6574650 -2.2556279 -0.7211682 0.3635254 -0.6758314 -2.5068963 13 S -1.8836922 -0.0021037 -0.8427324 -0.0132533 -3.3980345 -0.0173190 -0.7670499 0.0230935 -2.5068963 14 S -3.0127991 0.6651435 0.4063675 0.6539939 -2.2689276 0.7384872 0.4035245 0.6527380 -2.5068963 ---------------------------------------------------------------------------- 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: 126/126 Permutation basis: 3309/3309 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 455 Number of blocks in projector: 210 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: 206 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 57 Use standard eigh solver. Tree of FC basis block matrices: - (455, 435), data: False |-- (57, 54), data: True |-- (192, 184), data: True |-- (206, 197), data: True ----- Solver_atoms: 1 -- 42 / 42 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.140 Solver_block: 200 / 320 - Time: 0.146 Solver_block: 300 / 320 - Time: 0.145 Solver_block: 320 / 320 - Time: 0.038 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.477 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 126/126 Permutation basis: 3309/3309 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 455 Number of blocks in projector: 210 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: 206 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 57 Use standard eigh solver. Tree of FC basis block matrices: - (455, 435), data: False |-- (57, 54), data: True |-- (192, 184), data: True |-- (206, 197), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 23:11:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:11:09]------------------------- 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 3.523185955933941 2.034112360063566 6.499187096666660 b -3.523185955933934 2.034112360063566 6.499187096666660 c 0.000000000000004 -4.068224720127138 6.499187096666660 Atomic positions (fractional): 1 Li 0.91351759489899 0.31543877621484 0.63139056306482 6.941 2 Li 0.68456122378516 0.36860943693518 0.08648240510102 6.941 3 Li 0.63139056306482 0.91351759489899 0.31543877621484 6.941 4 Li 0.36860943693518 0.08648240510102 0.68456122378516 6.941 5 Li 0.31543877621484 0.63139056306482 0.91351759489899 6.941 6 Li 0.08648240510102 0.68456122378516 0.36860943693518 6.941 7 Bi 0.83155586204311 0.83155586204311 0.83155586204311 208.980 8 Bi 0.16844413795689 0.16844413795689 0.16844413795689 208.980 9 S 0.95542221357218 0.57863005701498 0.22677615843562 32.065 10 S 0.77322384156438 0.04457778642782 0.42136994298502 32.065 11 S 0.57863005701497 0.22677615843563 0.95542221357218 32.065 12 S 0.42136994298502 0.77322384156438 0.04457778642782 32.065 13 S 0.22677615843562 0.95542221357218 0.57863005701498 32.065 14 S 0.04457778642782 0.42136994298503 0.77322384156437 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.046371911867876 0.000000000000000 0.000000000000000 b -3.523185955933938 6.102337080190704 0.000000000000000 c 0.000000000000000 0.000000000000000 19.497561290000000 Atomic positions (fractional): 1 Li 0.62673528350610 0.65539174832806 0.28678231139288 6.941 > 1 2 Li 0.63801020184471 0.96006861683944 0.04655102194045 6.941 > 2 3 Li 0.34460825167194 0.97134353517804 0.28678231139288 6.941 > 3 4 Li 0.32205841499473 0.36198979815529 0.04655102194045 6.941 > 4 5 Li 0.02865646482196 0.37326471649390 0.28678231139288 6.941 > 5 6 Li 0.03993138316056 0.67794158500527 0.04655102194045 6.941 > 6 7 Li 0.29340195017277 0.98872508166140 0.62011564472621 6.941 > 1 8 Li 0.30467686851137 0.29340195017277 0.37988435527379 6.941 > 2 9 Li 0.01127491833860 0.30467686851137 0.62011564472621 6.941 > 3 10 Li 0.98872508166140 0.69532313148863 0.37988435527379 6.941 > 4 11 Li 0.69532313148863 0.70659804982723 0.62011564472621 6.941 > 5 12 Li 0.70659804982723 0.01127491833860 0.37988435527379 6.941 > 6 13 Li 0.96006861683944 0.32205841499473 0.95344897805955 6.941 > 1 14 Li 0.97134353517804 0.62673528350610 0.71321768860712 6.941 > 2 15 Li 0.67794158500527 0.63801020184471 0.95344897805955 6.941 > 3 16 Li 0.65539174832806 0.02865646482196 0.71321768860712 6.941 > 4 17 Li 0.36198979815529 0.03993138316056 0.95344897805955 6.941 > 5 18 Li 0.37326471649390 0.34460825167194 0.71321768860712 6.941 > 6 19 Bi 0.66666666666667 0.33333333333333 0.16488919537644 208.980 > 19 20 Bi 0.00000000000000 0.00000000000000 0.16844413795689 208.980 > 20 21 Bi 0.33333333333333 0.66666666666667 0.49822252870977 208.980 > 19 22 Bi 0.66666666666667 0.33333333333333 0.50177747129023 208.980 > 20 23 Bi 0.00000000000000 0.00000000000000 0.83155586204311 208.980 > 19 24 Bi 0.33333333333333 0.66666666666667 0.83511080462356 208.980 > 20 25 S 0.70181273723125 0.02683331790530 0.25360947634093 32.065 > 25 26 S 0.69349998457197 0.65835391400738 0.07972385699241 32.065 > 26 27 S 0.32502058067405 0.29818726276875 0.25360947634093 32.065 > 27 28 S 0.34164608599262 0.03514607056459 0.07972385699241 32.065 > 28 29 S 0.97316668209470 0.67497941932595 0.25360947634093 32.065 > 29 30 S 0.96485392943541 0.30650001542803 0.07972385699241 32.065 > 30 31 S 0.36847940389792 0.36016665123864 0.58694280967426 32.065 > 25 32 S 0.36016665123864 0.99168724734072 0.41305719032574 32.065 > 26 33 S 0.99168724734072 0.63152059610208 0.58694280967426 32.065 > 27 34 S 0.00831275265928 0.36847940389792 0.41305719032574 32.065 > 28 35 S 0.63983334876136 0.00831275265928 0.58694280967426 32.065 > 29 36 S 0.63152059610208 0.63983334876136 0.41305719032574 32.065 > 30 37 S 0.03514607056459 0.69349998457197 0.92027614300759 32.065 > 25 38 S 0.02683331790530 0.32502058067405 0.74639052365907 32.065 > 26 39 S 0.65835391400738 0.96485392943541 0.92027614300759 32.065 > 27 40 S 0.67497941932595 0.70181273723125 0.74639052365907 32.065 > 28 41 S 0.30650001542803 0.34164608599262 0.92027614300759 32.065 > 29 42 S 0.29818726276875 0.97316668209470 0.74639052365907 32.065 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8052786 0.0000018 0.0000000 -0.0000018 6.8052786 0.0000000 0.0000000 0.0000000 6.5014780 -------------------------- Born effective charges -------------------------- 1 Li 0.5777843 0.1005392 -0.2129661 0.1035433 1.4915923 -0.1888274 -0.0243704 -0.0079645 1.3618116 2 Li 1.1747700 -0.4482131 -0.0570463 -0.4452091 0.8946065 0.2788477 0.0052877 0.0250877 1.3618116 3 Li 1.3515106 0.3431678 0.2700124 0.3461719 0.7178660 -0.0900204 0.0190827 -0.0171231 1.3618116 4 Li 1.3515106 0.3431678 0.2700124 0.3461719 0.7178660 -0.0900204 0.0190827 -0.0171231 1.3618116 5 Li 1.1747700 -0.4482131 -0.0570463 -0.4452091 0.8946065 0.2788477 0.0052877 0.0250877 1.3618116 6 Li 0.5777843 0.1005392 -0.2129661 0.1035433 1.4915923 -0.1888274 -0.0243704 -0.0079645 1.3618116 7 Bi 4.8185252 -0.0122184 -0.0000000 0.0122184 4.8185252 0.0000000 -0.0000000 0.0000000 3.4352540 8 Bi 4.8185252 -0.0122184 -0.0000000 0.0122184 4.8185252 0.0000000 -0.0000000 0.0000000 3.4352540 9 S -3.0127991 0.6651435 0.4063675 0.6539939 -2.2689276 0.7384872 0.4035245 0.6527380 -2.5068963 10 S -1.8836922 -0.0021037 -0.8427324 -0.0132533 -3.3980345 -0.0173190 -0.7670499 0.0230935 -2.5068963 11 S -3.0260987 -0.6463154 0.4363649 -0.6574650 -2.2556279 -0.7211682 0.3635254 -0.6758314 -2.5068963 12 S -3.0260987 -0.6463154 0.4363649 -0.6574650 -2.2556279 -0.7211682 0.3635254 -0.6758314 -2.5068963 13 S -1.8836922 -0.0021037 -0.8427324 -0.0132533 -3.3980345 -0.0173190 -0.7670499 0.0230935 -2.5068963 14 S -3.0127991 0.6651435 0.4063675 0.6539939 -2.2689276 0.7384872 0.4035245 0.6527380 -2.5068963 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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] 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 (zz) 0.00000000 (zz) 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 23:11:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:11:13]------------------------- 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 3.523185955933941 2.034112360063566 6.499187096666660 b -3.523185955933934 2.034112360063566 6.499187096666660 c 0.000000000000004 -4.068224720127138 6.499187096666660 Atomic positions (fractional): 1 Li 0.91351759489899 0.31543877621484 0.63139056306482 6.941 2 Li 0.68456122378516 0.36860943693518 0.08648240510102 6.941 3 Li 0.63139056306482 0.91351759489899 0.31543877621484 6.941 4 Li 0.36860943693518 0.08648240510102 0.68456122378516 6.941 5 Li 0.31543877621484 0.63139056306482 0.91351759489899 6.941 6 Li 0.08648240510102 0.68456122378516 0.36860943693518 6.941 7 Bi 0.83155586204311 0.83155586204311 0.83155586204311 208.980 8 Bi 0.16844413795689 0.16844413795689 0.16844413795689 208.980 9 S 0.95542221357218 0.57863005701498 0.22677615843562 32.065 10 S 0.77322384156438 0.04457778642782 0.42136994298502 32.065 11 S 0.57863005701497 0.22677615843563 0.95542221357218 32.065 12 S 0.42136994298502 0.77322384156438 0.04457778642782 32.065 13 S 0.22677615843562 0.95542221357218 0.57863005701498 32.065 14 S 0.04457778642782 0.42136994298503 0.77322384156437 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.046371911867876 0.000000000000000 0.000000000000000 b -3.523185955933938 6.102337080190704 0.000000000000000 c 0.000000000000000 0.000000000000000 19.497561290000000 Atomic positions (fractional): 1 Li 0.62673528350610 0.65539174832806 0.28678231139288 6.941 > 1 2 Li 0.63801020184471 0.96006861683944 0.04655102194045 6.941 > 2 3 Li 0.34460825167194 0.97134353517804 0.28678231139288 6.941 > 3 4 Li 0.32205841499473 0.36198979815529 0.04655102194045 6.941 > 4 5 Li 0.02865646482196 0.37326471649390 0.28678231139288 6.941 > 5 6 Li 0.03993138316056 0.67794158500527 0.04655102194045 6.941 > 6 7 Li 0.29340195017277 0.98872508166140 0.62011564472621 6.941 > 1 8 Li 0.30467686851137 0.29340195017277 0.37988435527379 6.941 > 2 9 Li 0.01127491833860 0.30467686851137 0.62011564472621 6.941 > 3 10 Li 0.98872508166140 0.69532313148863 0.37988435527379 6.941 > 4 11 Li 0.69532313148863 0.70659804982723 0.62011564472621 6.941 > 5 12 Li 0.70659804982723 0.01127491833860 0.37988435527379 6.941 > 6 13 Li 0.96006861683944 0.32205841499473 0.95344897805955 6.941 > 1 14 Li 0.97134353517804 0.62673528350610 0.71321768860712 6.941 > 2 15 Li 0.67794158500527 0.63801020184471 0.95344897805955 6.941 > 3 16 Li 0.65539174832806 0.02865646482196 0.71321768860712 6.941 > 4 17 Li 0.36198979815529 0.03993138316056 0.95344897805955 6.941 > 5 18 Li 0.37326471649390 0.34460825167194 0.71321768860712 6.941 > 6 19 Bi 0.66666666666667 0.33333333333333 0.16488919537644 208.980 > 19 20 Bi 0.00000000000000 0.00000000000000 0.16844413795689 208.980 > 20 21 Bi 0.33333333333333 0.66666666666667 0.49822252870977 208.980 > 19 22 Bi 0.66666666666667 0.33333333333333 0.50177747129023 208.980 > 20 23 Bi 0.00000000000000 0.00000000000000 0.83155586204311 208.980 > 19 24 Bi 0.33333333333333 0.66666666666667 0.83511080462356 208.980 > 20 25 S 0.70181273723125 0.02683331790530 0.25360947634093 32.065 > 25 26 S 0.69349998457197 0.65835391400738 0.07972385699241 32.065 > 26 27 S 0.32502058067405 0.29818726276875 0.25360947634093 32.065 > 27 28 S 0.34164608599262 0.03514607056459 0.07972385699241 32.065 > 28 29 S 0.97316668209470 0.67497941932595 0.25360947634093 32.065 > 29 30 S 0.96485392943541 0.30650001542803 0.07972385699241 32.065 > 30 31 S 0.36847940389792 0.36016665123864 0.58694280967426 32.065 > 25 32 S 0.36016665123864 0.99168724734072 0.41305719032574 32.065 > 26 33 S 0.99168724734072 0.63152059610208 0.58694280967426 32.065 > 27 34 S 0.00831275265928 0.36847940389792 0.41305719032574 32.065 > 28 35 S 0.63983334876136 0.00831275265928 0.58694280967426 32.065 > 29 36 S 0.63152059610208 0.63983334876136 0.41305719032574 32.065 > 30 37 S 0.03514607056459 0.69349998457197 0.92027614300759 32.065 > 25 38 S 0.02683331790530 0.32502058067405 0.74639052365907 32.065 > 26 39 S 0.65835391400738 0.96485392943541 0.92027614300759 32.065 > 27 40 S 0.67497941932595 0.70181273723125 0.74639052365907 32.065 > 28 41 S 0.30650001542803 0.34164608599262 0.92027614300759 32.065 > 29 42 S 0.29818726276875 0.97316668209470 0.74639052365907 32.065 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8052786 0.0000018 0.0000000 -0.0000018 6.8052786 0.0000000 0.0000000 0.0000000 6.5014780 -------------------------- Born effective charges -------------------------- 1 Li 0.5777843 0.1005392 -0.2129661 0.1035433 1.4915923 -0.1888274 -0.0243704 -0.0079645 1.3618116 2 Li 1.1747700 -0.4482131 -0.0570463 -0.4452091 0.8946065 0.2788477 0.0052877 0.0250877 1.3618116 3 Li 1.3515106 0.3431678 0.2700124 0.3461719 0.7178660 -0.0900204 0.0190827 -0.0171231 1.3618116 4 Li 1.3515106 0.3431678 0.2700124 0.3461719 0.7178660 -0.0900204 0.0190827 -0.0171231 1.3618116 5 Li 1.1747700 -0.4482131 -0.0570463 -0.4452091 0.8946065 0.2788477 0.0052877 0.0250877 1.3618116 6 Li 0.5777843 0.1005392 -0.2129661 0.1035433 1.4915923 -0.1888274 -0.0243704 -0.0079645 1.3618116 7 Bi 4.8185252 -0.0122184 -0.0000000 0.0122184 4.8185252 0.0000000 -0.0000000 0.0000000 3.4352540 8 Bi 4.8185252 -0.0122184 -0.0000000 0.0122184 4.8185252 0.0000000 -0.0000000 0.0000000 3.4352540 9 S -3.0127991 0.6651435 0.4063675 0.6539939 -2.2689276 0.7384872 0.4035245 0.6527380 -2.5068963 10 S -1.8836922 -0.0021037 -0.8427324 -0.0132533 -3.3980345 -0.0173190 -0.7670499 0.0230935 -2.5068963 11 S -3.0260987 -0.6463154 0.4363649 -0.6574650 -2.2556279 -0.7211682 0.3635254 -0.6758314 -2.5068963 12 S -3.0260987 -0.6463154 0.4363649 -0.6574650 -2.2556279 -0.7211682 0.3635254 -0.6758314 -2.5068963 13 S -1.8836922 -0.0021037 -0.8427324 -0.0132533 -3.3980345 -0.0173190 -0.7670499 0.0230935 -2.5068963 14 S -3.0127991 0.6651435 0.4063675 0.6539939 -2.2689276 0.7384872 0.4035245 0.6527380 -2.5068963 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 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 1.737 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.020 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 4.176 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.937 ( 0.000 0.000 0.000) 0.000 7.937 ( 0.000 0.000 0.000) 0.000 8.620 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.625 ( 0.000 0.000 0.000) 0.000 9.625 ( 0.000 0.000 0.000) 0.000 9.927 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.235 ( 0.000 0.000 0.000) 0.000 10.235 ( 0.000 0.000 0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 10.847 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 11.066 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 11.937 5.021 15.615) 20.287 0.411 ( 14.826 13.172 10.355) 22.373 0.773 ( 32.285 17.329 13.138) 38.926 1.770 ( 3.093 1.566 -0.557) 3.512 2.406 ( -2.498 -0.966 -2.089) 3.396 2.445 ( 0.260 -0.391 3.146) 3.181 3.041 ( 1.507 1.100 1.227) 2.233 3.638 ( 1.659 -0.885 -1.101) 2.179 3.664 ( 5.219 1.881 -6.281) 8.380 3.866 ( 6.947 6.836 -13.807) 16.900 4.093 ( -3.302 -2.038 -12.204) 12.806 4.353 ( -2.847 -1.331 6.503) 7.223 4.968 ( -1.669 -0.005 -4.243) 4.560 5.230 ( 4.066 5.395 -25.129) 26.021 5.593 ( -11.032 -11.459 25.139) 29.749 5.791 ( -4.369 -2.654 1.084) 5.226 6.023 ( 2.426 -1.197 -1.343) 3.020 6.075 ( 2.094 6.464 2.667) 7.299 6.445 ( -9.501 -5.883 4.243) 11.954 6.568 ( -0.008 0.618 3.006) 3.069 7.103 ( -0.491 -0.120 0.468) 0.689 7.150 ( 0.364 4.627 -5.549) 7.234 7.205 ( -0.298 -3.661 11.268) 11.851 7.776 ( -4.368 -2.489 -10.243) 11.410 7.944 ( 1.535 -0.797 -0.717) 1.872 7.975 ( 2.922 2.425 0.925) 3.908 8.635 ( -2.748 -1.128 8.999) 9.476 8.705 ( -1.449 0.320 0.376) 1.531 8.913 ( -4.539 -2.976 7.824) 9.522 9.123 ( 5.823 2.927 0.032) 6.517 9.626 ( -0.445 0.436 0.801) 1.014 9.862 ( -1.103 -0.316 -11.289) 11.347 10.036 ( 1.817 2.389 -0.780) 3.101 10.209 ( 1.874 -8.172 5.996) 10.308 10.257 ( 1.888 3.026 -2.510) 4.362 10.299 ( -3.420 3.007 14.518) 15.215 10.776 ( -4.607 -3.399 -0.553) 5.752 11.021 ( 3.822 2.241 -4.099) 6.036 11.079 ( 0.592 0.262 5.607) 5.644 11.814 ( -0.072 0.327 -0.225) 0.403 11.832 ( 2.230 1.231 -1.882) 3.167 12.483 ( -0.449 -1.301 -6.707) 6.847 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 11.307 4.313 12.804) 17.618 0.822 ( 15.043 12.244 10.032) 21.837 1.436 ( 22.622 13.914 10.088) 28.410 1.848 ( 6.352 2.157 -1.927) 6.980 2.320 ( -4.538 -1.946 -3.365) 5.976 2.475 ( 0.636 -0.328 6.068) 6.110 3.102 ( 2.809 2.796 2.455) 4.662 3.659 ( 2.463 -1.590 1.129) 3.141 3.759 ( 8.663 2.830 -7.525) 11.819 3.892 ( -4.304 -3.170 -7.322) 9.065 4.020 ( 3.687 5.833 -4.167) 8.061 4.312 ( -4.341 -1.262 5.392) 7.036 4.888 ( -3.452 -0.789 -7.918) 8.673 5.169 ( -4.708 1.769 -7.843) 9.317 5.454 ( -5.213 -7.516 4.936) 10.394 5.660 ( -6.556 -4.631 -3.116) 8.610 6.041 ( 3.115 -3.414 -1.536) 4.870 6.197 ( 3.179 7.368 0.759) 8.061 6.290 ( -7.385 -1.506 6.566) 9.996 6.609 ( 1.194 0.523 5.928) 6.069 7.046 ( -7.428 -2.623 3.477) 8.611 7.104 ( -3.102 -1.451 0.275) 3.435 7.271 ( 3.667 1.256 -1.649) 4.213 7.587 ( -6.401 -3.363 -13.268) 15.110 7.957 ( 2.128 -1.679 -1.146) 2.942 8.068 ( 3.975 3.402 1.478) 5.437 8.620 ( -3.012 -0.833 4.030) 5.100 8.659 ( -4.661 -1.918 4.474) 6.739 8.922 ( 1.839 1.420 5.464) 5.937 9.242 ( 6.345 2.305 -0.422) 6.764 9.628 ( -1.059 0.997 1.335) 1.974 9.774 ( -2.075 -0.886 -8.671) 8.959 10.051 ( -1.697 -1.211 5.425) 5.812 10.223 ( 3.310 -4.272 2.718) 6.049 10.311 ( 1.968 5.318 -3.495) 6.661 10.365 ( 1.299 2.371 6.109) 6.680 10.662 ( -4.280 -4.422 -1.033) 6.240 11.034 ( -0.895 -0.202 -0.351) 0.982 11.165 ( 4.309 2.383 2.877) 5.702 11.816 ( 0.087 0.517 -0.337) 0.623 11.883 ( 3.777 2.234 -2.853) 5.234 12.403 ( -2.866 -3.474 -4.089) 6.083 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 9.097 3.065 8.820) 13.036 1.210 ( 13.744 10.329 8.844) 19.334 1.721 ( 2.270 2.394 0.031) 3.300 2.044 ( 8.297 5.370 -0.759) 9.912 2.216 ( -1.232 -1.142 -1.897) 2.534 2.536 ( 2.552 0.348 7.861) 8.272 3.207 ( 3.569 5.102 3.796) 7.293 3.670 ( -2.053 -5.356 -3.564) 6.752 3.736 ( 0.810 -2.255 -1.223) 2.690 3.921 ( 9.206 3.858 -4.775) 11.065 4.067 ( -1.404 1.019 -3.985) 4.346 4.309 ( -0.722 2.803 6.977) 7.553 4.776 ( -3.145 -0.557 -7.307) 7.974 5.026 ( -7.745 -2.418 -3.718) 8.925 5.364 ( -3.038 -2.311 1.042) 3.956 5.496 ( -5.485 -4.053 -4.715) 8.291 6.036 ( 1.160 -4.114 1.464) 4.519 6.233 ( -0.336 0.328 2.450) 2.495 6.357 ( 3.941 9.846 -0.609) 10.622 6.665 ( 1.131 -1.644 6.408) 6.711 6.901 ( -8.208 -3.966 3.109) 9.631 7.013 ( -7.234 -1.221 0.167) 7.338 7.285 ( 0.544 -4.520 -4.529) 6.421 7.422 ( -2.495 1.446 -8.952) 9.405 7.966 ( 1.766 -1.725 -0.901) 2.628 8.159 ( 2.653 2.944 1.001) 4.088 8.562 ( -3.484 -0.700 -1.176) 3.743 8.609 ( -3.111 -2.569 6.357) 7.529 9.035 ( 4.463 3.697 5.581) 8.046 9.356 ( 6.081 1.088 0.018) 6.177 9.620 ( -1.961 0.492 1.032) 2.270 9.684 ( -2.536 -0.477 -7.143) 7.595 10.041 ( -1.022 -1.940 4.492) 4.998 10.246 ( 1.191 -1.700 1.706) 2.687 10.364 ( 0.588 5.560 -4.785) 7.359 10.444 ( 2.165 0.952 5.147) 5.664 10.568 ( -0.965 -4.078 -0.723) 4.253 10.999 ( -2.724 -0.999 0.531) 2.949 11.265 ( 3.799 2.172 1.322) 4.572 11.822 ( 0.319 0.475 -0.277) 0.636 11.955 ( 4.292 2.949 -2.610) 5.825 12.292 ( -4.005 -4.407 -2.412) 6.425 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 3.836 1.180 3.381) 5.248 1.518 ( 8.672 6.475 5.735) 12.249 1.711 ( -1.446 -1.521 -2.193) 3.036 1.999 ( -4.649 -1.670 -3.144) 5.855 2.293 ( 2.887 1.790 0.151) 3.400 2.637 ( 2.964 0.917 4.286) 5.291 3.346 ( 3.787 6.775 5.029) 9.248 3.509 ( -4.191 -6.903 -6.724) 10.508 3.807 ( 4.776 -1.242 7.047) 8.603 3.942 ( -5.458 1.488 -6.976) 8.982 4.096 ( 7.103 0.093 -2.635) 7.577 4.342 ( -2.778 1.516 3.702) 4.871 4.738 ( 1.545 1.095 -2.333) 3.005 4.879 ( -5.035 -2.220 -1.735) 5.769 5.323 ( -1.167 -0.289 0.754) 1.419 5.382 ( -2.437 -1.588 -2.535) 3.858 6.035 ( 0.725 -1.468 1.433) 2.175 6.252 ( 0.860 0.161 0.103) 0.881 6.506 ( 4.092 9.133 -1.906) 10.187 6.654 ( -1.800 -6.637 3.983) 7.947 6.793 ( -3.132 -1.320 1.246) 3.619 6.890 ( -5.113 -0.317 -0.325) 5.133 7.205 ( -0.751 -3.013 -2.586) 4.041 7.409 ( 0.468 1.551 -2.403) 2.898 7.971 ( 0.725 -0.691 -0.313) 1.049 8.209 ( 0.734 1.169 0.345) 1.423 8.513 ( -1.230 -0.222 -0.679) 1.422 8.581 ( -1.216 -1.201 2.260) 2.833 9.154 ( 2.609 2.192 3.211) 4.682 9.442 ( 3.408 0.073 0.241) 3.417 9.579 ( -1.480 -1.413 -1.373) 2.464 9.626 ( -1.865 1.267 -1.967) 2.992 10.038 ( -0.198 -0.848 1.962) 2.146 10.252 ( 0.177 -0.464 0.448) 0.669 10.363 ( -1.241 1.885 -2.616) 3.455 10.485 ( 0.587 -0.909 2.293) 2.535 10.572 ( 2.093 0.112 0.018) 2.096 10.950 ( -1.898 -0.715 0.138) 2.033 11.328 ( 1.494 0.870 0.409) 1.777 11.829 ( 0.199 0.194 -0.101) 0.296 12.036 ( 3.402 2.812 -1.280) 4.595 12.182 ( -3.407 -3.473 -0.568) 4.899 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -0.861 11.233 17.425) 20.750 0.542 ( 4.435 15.171 21.496) 26.681 0.862 ( -1.810 30.908 22.387) 38.207 1.770 ( -0.374 3.858 -0.441) 3.901 2.400 ( 0.437 -2.646 -1.770) 3.213 2.455 ( -0.500 -0.254 3.248) 3.296 3.029 ( 0.377 1.105 0.224) 1.189 3.565 ( -2.388 13.086 -22.155) 25.842 3.686 ( -2.476 1.726 5.757) 6.500 3.806 ( 4.967 14.537 -4.645) 16.049 4.014 ( -0.231 -4.296 -14.440) 15.067 4.392 ( 0.358 -3.678 6.327) 7.327 4.965 ( 1.229 -1.386 -3.661) 4.103 5.093 ( 1.914 7.710 -16.439) 18.258 5.658 ( -3.968 -9.362 -4.544) 11.137 5.854 ( -2.557 -11.784 14.314) 18.716 5.983 ( 0.454 -0.651 -5.083) 5.144 6.097 ( 4.676 3.482 5.766) 8.200 6.484 ( -1.183 -9.859 6.421) 11.825 6.557 ( 1.562 -1.024 1.343) 2.301 7.035 ( -0.097 -5.373 -2.361) 5.870 7.135 ( 1.978 1.265 0.577) 2.417 7.345 ( -0.542 1.322 12.008) 12.092 7.715 ( -0.111 -6.189 -10.917) 12.550 7.947 ( -2.015 1.595 -0.533) 2.624 7.972 ( 0.755 3.304 0.742) 3.470 8.676 ( 0.253 -3.058 4.527) 5.469 8.717 ( 1.713 0.844 0.995) 2.153 8.973 ( 0.008 -10.419 13.074) 16.718 9.131 ( -0.590 5.458 1.304) 5.643 9.619 ( 1.006 -0.672 0.003) 1.210 9.787 ( -0.046 0.641 -11.609) 11.627 10.037 ( 0.771 6.865 -0.375) 6.918 10.167 ( -2.764 -5.792 1.466) 6.583 10.258 ( -0.604 2.666 -0.307) 2.751 10.465 ( 1.974 -6.399 19.785) 20.888 10.775 ( -1.329 -5.254 -0.443) 5.437 10.992 ( -0.028 3.698 -3.735) 5.256 11.116 ( -0.067 1.368 5.958) 6.114 11.792 ( 0.183 -0.369 -2.809) 2.839 11.828 ( 0.276 2.811 -2.005) 3.464 12.433 ( -1.506 1.954 -9.521) 9.835 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 5.612 8.141 16.984) 19.653 0.876 ( 6.448 15.925 15.962) 23.451 1.375 ( 14.925 23.632 18.434) 33.481 1.805 ( 0.930 3.973 -2.383) 4.725 2.344 ( -2.774 -2.955 -2.107) 4.568 2.479 ( 1.364 -1.270 5.044) 5.377 3.086 ( 3.687 2.179 2.447) 4.933 3.586 ( 3.651 7.899 -12.071) 14.881 3.704 ( -0.370 1.835 2.892) 3.445 3.858 ( -2.941 -4.642 -10.981) 12.279 4.015 ( 5.288 9.729 1.026) 11.121 4.369 ( -1.870 -3.470 3.071) 4.997 4.888 ( -3.475 -1.466 -7.292) 8.209 5.164 ( 4.085 4.398 -8.157) 10.128 5.446 ( -5.215 -8.304 -6.862) 11.968 5.732 ( -7.565 -8.017 4.668) 11.971 5.950 ( 1.208 -3.202 -4.012) 5.274 6.226 ( 2.817 4.659 3.158) 6.294 6.393 ( -3.997 -5.529 6.753) 9.599 6.604 ( 2.978 -2.402 5.547) 6.738 7.005 ( 5.043 -6.354 -3.847) 8.978 7.136 ( -2.998 -2.719 1.266) 4.240 7.367 ( -5.677 3.480 7.979) 10.393 7.558 ( -4.622 -3.679 -12.730) 14.034 7.930 ( -0.764 1.052 -1.680) 2.124 8.047 ( 3.450 4.278 1.082) 5.601 8.655 ( -1.493 -2.010 0.535) 2.560 8.751 ( -1.663 -1.249 6.351) 6.683 8.932 ( -0.644 -5.357 8.240) 9.850 9.199 ( 2.443 5.616 -0.944) 6.197 9.646 ( 1.726 -0.272 1.691) 2.431 9.724 ( -0.389 -1.444 -8.799) 8.925 10.089 ( -1.964 -5.128 4.106) 6.857 10.136 ( 3.901 4.102 -1.540) 5.866 10.296 ( 2.205 3.674 -1.167) 4.441 10.489 ( -4.337 0.117 12.564) 13.292 10.673 ( -4.013 -5.244 -1.504) 6.773 11.023 ( 1.699 1.443 -1.595) 2.741 11.171 ( 1.061 2.312 4.895) 5.517 11.790 ( 1.750 -0.246 -2.955) 3.443 11.859 ( 1.313 4.001 -2.669) 4.986 12.363 ( -1.215 -2.466 -7.173) 7.682 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 5.444 6.610 13.923) 16.346 1.214 ( 8.476 14.055 12.432) 20.590 1.745 ( -0.022 5.959 1.087) 6.058 1.946 ( 12.204 10.335 5.112) 16.789 2.244 ( -4.499 -2.858 -1.217) 5.467 2.528 ( 2.731 -1.439 5.850) 6.614 3.208 ( 5.142 4.246 4.893) 8.271 3.631 ( -2.319 -5.465 -5.435) 8.049 3.670 ( 3.488 3.272 -7.827) 9.172 3.825 ( 3.666 3.767 1.215) 5.395 4.103 ( -2.329 1.339 -2.668) 3.786 4.370 ( 1.378 3.072 5.064) 6.081 4.773 ( -3.423 -1.652 -7.229) 8.168 5.097 ( -7.352 -3.309 -4.808) 9.387 5.361 ( 2.074 2.252 -7.187) 7.812 5.553 ( -7.879 -6.851 2.363) 10.705 5.920 ( 3.034 -6.030 -3.022) 7.396 6.269 ( -1.287 -1.602 3.393) 3.967 6.402 ( 1.793 7.089 1.138) 7.400 6.657 ( 1.909 -4.470 8.281) 9.602 7.004 ( -0.642 -6.076 -1.919) 6.404 7.019 ( -2.863 -5.507 0.345) 6.217 7.328 ( -9.347 3.177 2.680) 10.229 7.388 ( -1.628 -1.558 -11.084) 11.310 7.927 ( 0.658 0.680 -1.693) 1.940 8.151 ( 3.452 4.188 0.958) 5.511 8.601 ( -2.977 -1.351 -1.383) 3.549 8.696 ( -5.719 -4.606 8.947) 11.574 8.995 ( 6.024 0.003 3.360) 6.898 9.289 ( 3.996 3.572 -0.926) 5.439 9.647 ( -1.986 -1.447 -5.482) 6.008 9.679 ( 0.417 1.122 0.495) 1.295 10.043 ( -0.220 -5.233 3.074) 6.073 10.212 ( 2.264 2.736 -0.978) 3.683 10.367 ( 2.580 5.082 -2.922) 6.404 10.505 ( -2.866 0.569 10.426) 10.828 10.554 ( -2.992 -4.843 -0.959) 5.773 11.029 ( -1.326 -0.494 0.486) 1.496 11.246 ( 2.751 3.095 1.454) 4.389 11.803 ( 1.674 -0.397 -1.439) 2.243 11.915 ( 2.923 4.697 -3.087) 6.335 12.272 ( -1.863 -4.130 -4.902) 6.675 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 2.162 4.975 10.545) 11.859 1.520 ( 7.065 11.352 8.431) 15.807 1.726 ( -2.520 1.552 -4.195) 5.133 2.041 ( -5.121 -3.490 -1.055) 6.286 2.261 ( 3.828 2.544 3.173) 5.585 2.611 ( 4.051 0.237 4.050) 5.733 3.368 ( 5.005 5.549 5.797) 9.458 3.471 ( -3.836 -6.494 -6.727) 10.106 3.759 ( 5.026 0.485 4.127) 6.521 3.958 ( 7.409 3.079 -0.653) 8.050 3.989 ( -5.570 -0.707 -8.412) 10.113 4.451 ( -2.425 3.024 6.105) 7.231 4.700 ( 1.113 0.206 -5.253) 5.373 4.929 ( -5.930 -2.266 -4.220) 7.623 5.372 ( -2.185 5.489 -3.586) 6.911 5.416 ( -4.435 -4.338 3.243) 7.000 5.914 ( 5.919 -6.213 -3.711) 9.350 6.260 ( 0.113 -0.568 1.681) 1.778 6.525 ( 3.505 8.953 -1.406) 9.717 6.647 ( -1.898 -8.462 7.102) 11.209 6.855 ( -6.071 -3.892 0.493) 7.228 6.969 ( -2.564 -4.600 -0.559) 5.296 7.196 ( -5.281 2.069 -2.124) 6.056 7.369 ( 2.395 -0.390 -3.933) 4.622 7.942 ( 1.389 0.741 -1.371) 2.087 8.228 ( 0.954 3.368 0.933) 3.622 8.529 ( -2.817 -1.495 -1.533) 3.538 8.628 ( -3.642 -2.811 5.953) 7.524 9.106 ( 5.625 -0.826 0.254) 5.691 9.374 ( 4.321 1.204 -0.533) 4.518 9.580 ( -1.331 -0.531 -3.127) 3.440 9.685 ( -2.420 2.459 0.604) 3.502 10.021 ( 0.997 -3.997 1.571) 4.409 10.245 ( 0.527 1.465 -1.413) 2.103 10.399 ( -2.805 2.345 -2.799) 4.605 10.468 ( 1.239 -2.498 1.601) 3.215 10.572 ( 0.734 0.855 7.132) 7.220 10.985 ( -3.069 -0.841 0.025) 3.182 11.316 ( 2.116 2.642 -0.670) 3.451 11.816 ( 1.120 -0.456 -0.558) 1.332 11.997 ( 3.957 4.077 -1.879) 5.984 12.183 ( -2.053 -3.562 -2.399) 4.760 ======================= Grid point 14 (10/125) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -5.147 2.519 4.535) 7.308 1.606 ( -8.348 -0.324 -2.314) 8.669 1.732 ( 0.954 5.111 0.482) 5.222 1.966 ( 2.012 -1.250 3.978) 4.630 2.303 ( -0.080 -1.900 1.871) 2.668 2.641 ( -1.443 -1.041 -3.510) 3.935 3.321 ( -3.864 -6.006 -3.334) 7.882 3.530 ( 5.018 5.267 5.093) 8.881 3.849 ( -4.220 -0.017 -9.270) 10.186 3.874 ( 5.297 -1.423 7.258) 9.097 4.089 ( 5.603 1.759 -1.344) 6.024 4.398 ( -7.406 0.164 2.922) 7.964 4.741 ( 2.274 0.922 -1.202) 2.732 4.846 ( 0.148 0.758 -1.189) 1.418 5.347 ( -2.855 3.190 -1.690) 4.602 5.399 ( 0.312 1.812 5.601) 5.895 5.936 ( 5.882 -4.328 -6.592) 9.837 6.272 ( 0.291 -0.584 1.025) 1.215 6.520 ( -5.224 -7.734 2.599) 9.687 6.656 ( 3.268 4.706 -0.428) 5.745 6.780 ( -1.104 -1.403 0.923) 2.010 6.875 ( -2.843 -1.193 0.090) 3.085 7.211 ( 2.899 4.508 0.308) 5.369 7.381 ( 2.036 -2.911 0.057) 3.552 7.965 ( 1.453 1.131 -1.455) 2.347 8.245 ( -2.610 1.698 1.364) 3.399 8.489 ( 0.757 -0.892 -1.971) 2.292 8.597 ( -2.014 -0.019 3.087) 3.686 9.119 ( 0.366 -4.221 -4.768) 6.378 9.431 ( 2.731 -0.806 -0.649) 2.921 9.581 ( 1.233 1.821 0.921) 2.384 9.658 ( -3.422 1.737 1.596) 4.156 10.012 ( 1.161 -1.783 -1.855) 2.822 10.253 ( 0.308 0.915 -0.896) 1.318 10.355 ( -1.130 -2.408 2.473) 3.632 10.488 ( 0.301 1.542 -2.030) 2.567 10.613 ( -1.092 0.142 4.587) 4.717 10.943 ( -0.781 0.171 -0.434) 0.910 11.343 ( -0.528 1.355 -1.246) 1.915 11.821 ( 0.530 -0.755 -0.286) 0.966 12.059 ( -0.448 0.013 0.374) 0.584 12.149 ( 2.837 1.170 -1.113) 3.265 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -11.785 0.289 -2.524) 12.056 1.355 ( -16.571 -4.991 -2.508) 17.487 1.758 ( -1.757 1.729 0.575) 2.532 2.068 ( 2.767 0.232 4.607) 5.379 2.263 ( -3.593 -1.755 2.930) 4.957 2.523 ( -4.366 -2.394 -9.559) 10.778 3.202 ( -3.610 -4.282 -1.351) 5.761 3.687 ( 6.060 4.140 4.639) 8.682 3.757 ( -2.654 1.788 -6.887) 7.594 3.946 ( 1.555 -3.826 3.131) 5.183 4.140 ( -0.412 1.366 2.369) 2.765 4.284 ( -6.962 -1.489 -0.270) 7.124 4.763 ( 2.528 -0.458 4.051) 4.796 4.942 ( 7.419 2.770 0.450) 7.932 5.348 ( 0.222 3.982 -1.775) 4.365 5.505 ( 3.597 5.012 7.651) 9.828 5.943 ( 5.815 -3.558 -8.866) 11.184 6.243 ( -1.911 -3.856 0.120) 4.306 6.394 ( -6.038 -3.688 3.614) 7.945 6.655 ( -2.248 -3.349 -2.166) 4.579 6.828 ( 5.064 5.360 -1.423) 7.510 6.916 ( 5.667 1.008 0.815) 5.814 7.345 ( 4.502 7.363 2.992) 9.134 7.380 ( 2.312 -5.649 4.409) 7.530 7.988 ( 0.866 1.764 -2.141) 2.906 8.197 ( -4.712 -0.371 0.919) 4.815 8.511 ( 3.426 -0.136 -1.559) 3.766 8.594 ( -0.804 2.127 0.113) 2.277 9.017 ( -2.803 -5.430 -5.170) 8.004 9.419 ( -2.569 -1.390 -1.279) 3.188 9.606 ( -0.735 1.734 -0.643) 1.990 9.682 ( 2.616 0.353 5.938) 6.498 10.005 ( 1.342 0.114 -4.674) 4.864 10.258 ( -0.584 1.588 -1.480) 2.248 10.345 ( 0.669 -4.652 5.128) 6.956 10.471 ( -2.563 1.049 -2.200) 3.537 10.603 ( -1.520 1.412 0.627) 2.168 10.964 ( 2.299 0.771 0.007) 2.425 11.309 ( -3.607 0.004 -1.097) 3.770 11.816 ( 0.099 -1.032 -0.108) 1.042 12.014 ( -3.761 -1.042 1.484) 4.175 12.248 ( 6.093 2.672 -0.378) 6.664 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -15.122 -0.179 -6.257) 16.367 1.006 ( -19.906 -5.493 0.298) 20.652 1.646 ( -15.379 -2.560 -1.215) 15.638 1.970 ( -10.346 -1.842 -0.703) 10.533 2.297 ( 3.117 1.864 5.902) 6.930 2.426 ( 0.931 -1.579 -7.963) 8.171 3.115 ( -3.216 -2.000 -0.291) 3.798 3.706 ( -2.486 2.177 -3.682) 4.947 3.835 ( 3.306 1.587 0.118) 3.670 3.890 ( -1.386 -2.995 1.520) 3.634 4.114 ( -8.023 -0.718 8.391) 11.631 4.224 ( 3.659 0.127 -3.199) 4.862 4.864 ( 5.398 0.177 5.433) 7.661 5.097 ( 8.199 0.944 4.046) 9.191 5.398 ( 2.892 4.698 -5.452) 7.756 5.653 ( 3.598 4.482 5.206) 7.754 5.971 ( 7.702 -4.497 -6.849) 11.245 6.186 ( 0.332 -2.024 0.033) 2.051 6.291 ( -7.812 0.049 4.114) 8.829 6.578 ( -0.838 -3.624 -2.726) 4.612 6.964 ( 6.040 4.787 -1.078) 7.782 7.018 ( 5.941 -0.659 0.107) 5.979 7.348 ( -2.646 -1.442 2.607) 3.984 7.552 ( 8.851 3.091 6.886) 11.632 7.993 ( -0.302 1.351 -3.335) 3.611 8.111 ( -5.535 -1.130 0.574) 5.679 8.551 ( 2.785 -0.451 -2.791) 3.968 8.622 ( 1.863 2.695 -0.064) 3.277 8.907 ( -2.464 -3.445 -2.277) 4.809 9.328 ( -5.865 -1.292 -0.970) 6.084 9.610 ( 0.068 0.671 0.316) 0.745 9.769 ( 3.807 -0.164 5.183) 6.433 10.003 ( 1.573 0.672 -5.611) 5.866 10.238 ( -1.467 0.002 -2.727) 3.096 10.332 ( -1.630 -2.274 3.784) 4.706 10.409 ( -4.527 0.041 0.203) 4.532 10.630 ( 3.136 2.027 -1.515) 4.030 11.009 ( 2.321 0.352 0.122) 2.350 11.224 ( -5.693 -0.589 -0.894) 5.793 11.808 ( 0.086 -0.792 0.201) 0.821 11.950 ( -4.419 -0.478 1.269) 4.622 12.363 ( 6.022 1.529 -0.360) 6.223 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -16.213 1.501 -4.052) 16.779 0.661 ( -20.969 -1.845 6.405) 22.003 1.215 ( -33.100 0.384 -0.613) 33.108 1.835 ( -5.782 0.029 -0.978) 5.864 2.387 ( 2.713 -0.010 3.287) 4.261 2.411 ( 1.895 -0.053 -3.229) 3.744 3.061 ( -2.559 0.047 0.673) 2.646 3.666 ( -1.863 0.188 -2.371) 3.021 3.746 ( -6.079 0.074 -2.358) 6.520 3.942 ( 0.065 -0.240 1.852) 1.869 4.084 ( 1.746 -0.022 0.960) 1.993 4.286 ( 3.835 -0.037 1.426) 4.091 4.956 ( 3.115 -0.212 1.491) 3.460 5.275 ( 9.019 -0.423 11.514) 14.632 5.417 ( 1.220 1.408 -13.133) 13.265 5.742 ( 4.074 0.132 -1.093) 4.220 5.996 ( 2.686 -1.856 -1.142) 3.459 6.173 ( -7.501 1.070 3.410) 8.309 6.290 ( 8.609 0.507 1.434) 8.742 6.548 ( 0.548 -0.837 0.912) 1.354 7.067 ( 2.933 3.383 -1.907) 4.866 7.092 ( 5.179 -3.668 3.868) 7.433 7.286 ( -5.642 0.311 -0.766) 5.702 7.728 ( 7.534 0.312 0.343) 7.548 7.962 ( -1.135 -0.609 -3.268) 3.513 8.027 ( -5.061 0.612 1.245) 5.248 8.575 ( 2.250 -0.298 0.876) 2.433 8.682 ( 2.714 0.534 0.658) 2.843 8.864 ( 0.013 -0.252 0.274) 0.373 9.214 ( -6.677 -0.256 -0.737) 6.723 9.620 ( 0.072 0.290 1.068) 1.109 9.851 ( 4.020 -0.174 1.236) 4.209 10.009 ( 2.154 0.244 -1.450) 2.609 10.183 ( -2.220 -1.086 -3.527) 4.306 10.302 ( -3.284 2.061 -0.020) 3.877 10.343 ( -4.384 -1.228 3.252) 5.595 10.703 ( 5.535 0.040 -1.587) 5.758 11.042 ( 1.519 -0.043 0.313) 1.551 11.120 ( -6.350 0.071 -0.209) 6.354 11.809 ( 0.211 0.023 0.432) 0.481 11.884 ( -3.983 -0.007 0.006) 3.983 12.452 ( 4.778 -0.012 -1.616) 5.044 ======================= Grid point 19 (14/125) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -11.963 11.877 12.141) 20.774 0.761 ( -0.631 11.773 20.837) 23.942 1.372 ( -13.022 21.613 16.279) 30.028 1.837 ( -2.398 6.437 -0.628) 6.897 2.328 ( 3.013 -4.022 -2.202) 5.487 2.492 ( -1.555 -0.517 4.931) 5.196 3.062 ( -2.655 0.825 0.967) 2.943 3.655 ( -7.158 10.655 -13.443) 18.587 3.756 ( 2.143 4.462 7.171) 8.714 3.874 ( 2.584 -3.988 -12.196) 13.089 3.912 ( -5.220 7.004 0.312) 8.741 4.350 ( 2.676 -4.921 3.350) 6.527 4.859 ( 4.144 -2.693 -7.665) 9.120 5.076 ( -1.857 -0.265 -8.524) 8.728 5.564 ( 3.722 -1.929 -8.476) 9.456 5.764 ( 8.628 -7.880 7.733) 14.012 5.971 ( -5.758 -4.455 -4.378) 8.496 6.130 ( -0.937 5.308 -0.041) 5.390 6.374 ( 6.657 -8.638 7.831) 13.425 6.578 ( -3.807 -3.329 4.483) 6.758 7.001 ( -3.292 -6.924 -3.581) 8.462 7.115 ( 2.070 -1.577 1.786) 3.156 7.361 ( 5.481 1.928 6.269) 8.548 7.568 ( 4.418 -2.745 -11.139) 12.294 8.001 ( 0.723 5.228 -0.549) 5.306 8.023 ( -4.149 2.218 1.398) 4.908 8.636 ( 2.265 -2.671 0.333) 3.518 8.710 ( 1.285 -1.419 3.637) 4.110 8.933 ( 0.873 -5.804 8.601) 10.413 9.222 ( -3.311 6.177 0.095) 7.009 9.612 ( -0.752 -1.069 0.150) 1.316 9.726 ( 0.496 -1.883 -7.628) 7.872 10.079 ( 0.776 1.537 2.266) 2.846 10.186 ( -4.750 -2.707 -2.535) 6.026 10.319 ( -2.524 5.175 -0.669) 5.797 10.430 ( 6.643 -1.924 13.126) 14.837 10.720 ( 3.102 -2.926 0.545) 4.299 11.018 ( -1.280 0.812 -1.659) 2.247 11.174 ( -1.221 2.574 5.024) 5.776 11.782 ( -1.422 -0.824 -2.643) 3.112 11.855 ( -1.430 4.349 -3.400) 5.703 12.408 ( 0.440 -1.236 -5.549) 5.702 ======================= Grid point 20 (15/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -1.690 10.931 14.307) 18.084 1.022 ( 3.964 13.519 16.204) 21.472 1.591 ( 1.125 22.145 18.813) 29.079 1.855 ( -2.486 6.625 -2.242) 7.423 2.316 ( 1.247 -4.268 -0.879) 4.532 2.487 ( -0.919 -1.548 4.835) 5.159 3.078 ( 1.622 2.855 2.315) 4.017 3.610 ( -2.795 11.930 -10.386) 16.063 3.725 ( -2.287 -4.688 -8.892) 10.309 3.842 ( -2.205 1.343 4.547) 5.229 4.038 ( 4.625 10.294 2.588) 11.578 4.344 ( 1.078 -4.176 0.437) 4.335 4.856 ( 1.628 -4.911 -4.157) 6.637 5.059 ( 5.181 4.224 -8.766) 11.024 5.433 ( -6.976 -5.262 -9.882) 13.191 5.771 ( -3.444 -8.801 3.631) 10.124 5.872 ( 2.080 -2.680 -6.802) 7.601 6.222 ( 4.212 3.787 2.880) 6.355 6.402 ( 0.779 -7.729 7.984) 11.139 6.546 ( 2.277 -3.125 2.798) 4.773 6.877 ( -0.397 -7.657 -3.156) 8.292 7.130 ( 0.596 -3.429 0.750) 3.560 7.391 ( 0.592 -6.753 -3.859) 7.800 7.597 ( -0.347 5.923 1.034) 6.023 7.977 ( -3.959 2.120 -0.355) 4.505 8.067 ( 0.745 5.650 1.245) 5.833 8.635 ( 0.675 -3.847 0.295) 3.916 8.750 ( 2.735 1.254 0.604) 3.068 8.918 ( -0.047 -9.327 7.595) 12.028 9.244 ( -1.066 6.002 -0.528) 6.119 9.601 ( 1.311 -1.054 -0.453) 1.742 9.679 ( 0.207 -1.984 -4.342) 4.778 10.086 ( -3.028 -3.417 -1.144) 4.707 10.149 ( 2.565 4.521 1.505) 5.411 10.317 ( -1.528 3.909 -0.314) 4.209 10.550 ( 2.445 -2.858 8.566) 9.355 10.698 ( -2.949 -3.488 2.417) 5.168 11.010 ( 0.396 1.295 -0.891) 1.621 11.213 ( -0.288 1.931 4.630) 5.024 11.750 ( 0.434 0.427 -3.927) 3.974 11.870 ( 0.154 5.176 -3.392) 6.190 12.338 ( -2.449 -2.321 -5.902) 6.799 ======================= Grid point 21 (16/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 2.994 8.649 13.198) 16.061 1.300 ( 5.817 13.069 11.398) 18.291 1.820 ( -3.281 5.255 -4.165) 7.465 1.962 ( 6.459 13.603 14.389) 20.828 2.274 ( -2.256 -2.463 0.610) 3.395 2.501 ( 1.693 -2.439 4.631) 5.501 3.185 ( 5.259 3.911 4.398) 7.892 3.579 ( -2.759 -5.947 -8.504) 10.738 3.652 ( 0.746 9.955 -6.696) 12.021 3.867 ( -1.152 2.885 6.998) 7.657 4.121 ( -1.563 0.132 -4.040) 4.334 4.381 ( 3.834 4.521 3.096) 6.687 4.772 ( -3.037 -4.062 -4.270) 6.630 5.130 ( -1.914 -2.585 -3.924) 5.074 5.268 ( 3.551 2.450 -9.320) 10.270 5.610 ( -6.565 -7.900 -0.206) 10.274 5.842 ( -0.014 -3.339 -2.767) 4.337 6.274 ( -0.138 -3.570 1.925) 4.059 6.427 ( 2.331 3.912 2.190) 5.053 6.600 ( 5.012 -5.261 5.498) 9.112 6.828 ( 4.992 -7.189 -3.982) 9.615 7.052 ( -3.836 -7.759 -0.575) 8.675 7.317 ( 0.283 -1.999 -6.414) 6.724 7.576 ( -10.954 4.634 3.792) 12.484 7.946 ( -1.817 1.962 -0.336) 2.696 8.150 ( 2.410 5.353 1.069) 5.967 8.602 ( -0.406 -2.945 -1.121) 3.177 8.770 ( -2.848 -5.446 7.073) 9.370 8.902 ( 4.729 -2.346 -0.164) 5.282 9.286 ( 0.744 4.585 -1.148) 4.785 9.607 ( 0.848 -1.270 -4.605) 4.852 9.670 ( 2.279 -1.049 2.299) 3.403 10.012 ( -1.468 -3.952 -0.693) 4.272 10.229 ( 0.879 4.654 0.263) 4.744 10.352 ( 2.044 3.850 -1.464) 4.598 10.558 ( -1.850 -3.304 1.574) 4.101 10.627 ( -4.975 -1.905 8.933) 10.400 11.034 ( 0.827 0.329 0.445) 0.995 11.250 ( 0.777 1.947 1.515) 2.586 11.758 ( 2.045 0.575 -2.597) 3.355 11.910 ( 1.266 5.326 -3.180) 6.331 12.243 ( -2.265 -2.818 -4.830) 6.033 ======================= Grid point 22 (17/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 2.663 7.008 12.239) 14.352 1.568 ( 6.714 11.572 7.738) 15.455 1.757 ( -3.470 2.491 -8.532) 9.541 2.093 ( -4.640 -4.011 5.679) 8.359 2.282 ( 0.250 4.012 5.130) 6.517 2.561 ( 4.702 -0.171 3.156) 5.666 3.345 ( 6.668 3.466 4.470) 8.743 3.440 ( -3.287 -5.099 -5.083) 7.915 3.726 ( 2.587 4.492 -1.026) 5.284 3.926 ( 0.886 1.734 2.645) 3.284 4.025 ( -4.125 1.315 -5.647) 7.116 4.518 ( 2.661 4.841 4.809) 7.324 4.660 ( -2.113 -3.309 -5.564) 6.810 4.978 ( -6.161 -2.174 -4.334) 7.840 5.398 ( 5.876 5.961 -2.819) 8.832 5.458 ( -4.618 -4.412 1.417) 6.542 5.784 ( 0.045 -4.860 -2.262) 5.361 6.242 ( 0.615 -3.045 -0.673) 3.179 6.530 ( 3.615 5.069 0.946) 6.298 6.625 ( 0.711 -7.324 3.596) 8.190 6.839 ( 5.096 -4.647 -3.238) 7.619 6.905 ( -3.648 -7.329 -1.276) 8.285 7.289 ( 1.104 -0.146 -4.525) 4.660 7.420 ( -13.566 2.963 3.037) 14.214 7.946 ( -0.736 2.102 0.102) 2.229 8.240 ( 2.392 4.556 0.597) 5.180 8.548 ( -2.575 -2.931 -1.231) 4.091 8.696 ( -3.822 -4.413 6.904) 9.041 8.982 ( 6.777 -1.623 -2.953) 7.569 9.335 ( 2.194 2.263 -1.054) 3.323 9.575 ( -0.428 -0.116 -2.614) 2.652 9.723 ( 1.491 1.086 2.203) 2.873 9.962 ( 0.717 -4.569 -0.678) 4.674 10.259 ( -0.850 2.986 -1.844) 3.611 10.419 ( 3.181 2.993 -1.794) 4.722 10.472 ( -5.093 -1.602 0.578) 5.371 10.626 ( -1.107 -1.934 10.405) 10.641 11.023 ( -2.267 -0.683 0.015) 2.368 11.298 ( 2.472 2.768 -1.362) 3.953 11.783 ( 1.853 -0.248 -0.917) 2.082 11.972 ( 2.664 4.533 -1.814) 5.562 12.168 ( -1.550 -2.153 -2.926) 3.950 ======================= Grid point 23 (18/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -3.704 4.592 9.212) 10.939 1.680 ( -1.955 1.902 -7.886) 8.345 1.782 ( 1.913 8.495 2.025) 8.940 1.976 ( -4.131 -5.219 6.380) 9.220 2.306 ( -1.169 -1.666 3.847) 4.352 2.621 ( 0.893 -0.432 -2.865) 3.032 3.325 ( -3.739 -3.810 -1.117) 5.454 3.490 ( 6.209 1.495 1.738) 6.619 3.782 ( 2.841 -3.149 -0.875) 4.330 3.900 ( -2.119 4.813 -3.677) 6.417 4.056 ( 2.120 3.563 3.568) 5.470 4.504 ( -4.972 -2.244 1.005) 5.547 4.680 ( 4.986 2.595 -2.269) 6.061 4.872 ( -3.638 -0.403 -1.958) 4.151 5.397 ( -0.527 -1.885 4.345) 4.766 5.490 ( -2.780 9.820 -1.383) 10.299 5.763 ( 5.222 -5.512 -3.153) 8.222 6.234 ( 2.048 -2.733 -1.710) 3.819 6.535 ( -3.417 -7.629 1.837) 8.559 6.634 ( 3.820 3.124 -0.249) 4.941 6.782 ( -1.784 -5.339 -0.058) 5.630 6.873 ( 2.043 -2.378 -1.056) 3.308 7.279 ( -5.801 6.133 0.644) 8.466 7.314 ( 1.685 -2.590 -0.335) 3.108 7.958 ( 0.054 1.736 -0.274) 1.758 8.306 ( -0.041 4.083 1.173) 4.248 8.466 ( -2.040 -3.532 -1.627) 4.392 8.661 ( -2.734 0.089 4.664) 5.407 9.016 ( 3.671 -4.514 -5.113) 7.745 9.381 ( 2.526 0.461 -0.544) 2.625 9.579 ( 1.216 1.167 0.270) 1.707 9.740 ( -2.715 2.428 1.329) 3.877 9.945 ( 2.663 -3.736 -1.892) 4.963 10.250 ( -0.173 0.088 -0.809) 0.832 10.395 ( -4.125 -1.195 2.706) 5.076 10.478 ( 1.750 3.667 -3.354) 5.269 10.651 ( -0.303 -2.131 7.164) 7.480 10.968 ( -2.718 -0.400 -0.892) 2.889 11.348 ( 1.292 2.472 -1.427) 3.133 11.798 ( 1.145 -0.722 -0.449) 1.426 12.051 ( 3.163 2.907 -0.049) 4.296 12.122 ( -0.628 -0.895 -1.539) 1.888 ======================= Grid point 24 (19/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -11.790 1.463 0.393) 11.887 1.567 ( -13.171 -1.283 -0.279) 13.236 1.785 ( 0.358 1.042 -0.049) 1.103 2.057 ( 4.582 3.417 5.962) 8.259 2.286 ( -0.602 -2.627 2.785) 3.876 2.534 ( -5.645 -2.461 -7.679) 9.844 3.238 ( -4.319 -1.869 1.931) 5.086 3.594 ( 7.264 -0.432 -3.151) 7.930 3.763 ( 0.220 -0.381 -3.046) 3.077 3.933 ( -0.083 2.471 1.795) 3.056 4.130 ( 1.946 1.240 2.431) 3.352 4.409 ( -6.096 -1.820 1.660) 6.575 4.738 ( 1.935 -0.312 -0.070) 1.961 4.865 ( 3.813 1.554 -0.390) 4.136 5.406 ( -2.142 3.232 0.655) 3.932 5.559 ( 1.305 8.562 4.751) 9.878 5.769 ( 4.453 -5.473 -6.116) 9.337 6.211 ( 0.329 -5.091 -1.061) 5.211 6.453 ( -2.376 -1.288 1.198) 2.957 6.646 ( -1.308 -6.427 0.960) 6.628 6.784 ( 4.606 0.203 1.561) 4.867 6.880 ( 1.092 2.406 -1.274) 2.933 7.282 ( 2.730 -3.593 3.722) 5.849 7.368 ( 3.130 6.011 -1.488) 6.939 7.973 ( 0.604 1.254 -1.353) 1.941 8.296 ( -5.534 1.256 1.651) 5.910 8.444 ( 3.180 -0.793 -1.703) 3.693 8.648 ( -2.489 1.769 1.014) 3.217 8.971 ( -0.185 -4.609 -2.787) 5.390 9.407 ( 0.900 -0.646 -0.765) 1.346 9.622 ( 1.835 0.916 0.629) 2.145 9.713 ( -3.207 1.557 2.544) 4.380 9.946 ( 2.398 -1.415 -4.099) 4.955 10.268 ( 1.978 -0.022 1.858) 2.713 10.342 ( -2.984 -2.041 2.902) 4.636 10.498 ( -0.511 2.986 -3.387) 4.545 10.640 ( -2.178 -1.387 1.265) 2.875 10.946 ( 0.506 -0.065 0.528) 0.734 11.356 ( -1.884 1.280 -0.568) 2.347 11.802 ( 0.513 -0.678 -0.198) 0.873 12.069 ( -2.681 0.718 0.502) 2.820 12.160 ( 5.807 0.687 -1.200) 5.970 ======================= Grid point 25 (20/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -14.892 0.862 -3.480) 15.317 1.296 ( -18.564 -2.264 4.206) 19.169 1.794 ( -3.127 0.593 1.447) 3.496 2.112 ( -6.323 2.433 1.057) 6.857 2.304 ( 4.045 -0.835 -0.837) 4.215 2.370 ( -5.299 -1.535 -1.916) 5.840 3.176 ( -4.553 0.296 3.243) 5.598 3.672 ( 5.506 -0.384 -6.898) 8.835 3.770 ( 2.974 -0.529 -0.288) 3.034 3.922 ( -3.989 2.155 -1.274) 4.710 4.170 ( 1.940 -0.652 -0.090) 2.048 4.291 ( -8.533 -1.284 5.549) 10.259 4.794 ( 5.161 -0.551 1.911) 5.531 4.978 ( 8.467 0.602 0.261) 8.492 5.406 ( -1.057 2.407 -0.904) 2.780 5.666 ( 0.525 2.596 -3.927) 4.737 5.781 ( 7.446 -1.432 0.218) 7.585 6.177 ( 0.072 -1.474 2.111) 2.576 6.422 ( -4.011 1.585 2.046) 4.774 6.556 ( -2.279 -5.435 1.590) 6.104 6.878 ( 6.302 -2.840 2.953) 7.517 6.951 ( 4.490 4.335 -2.124) 6.592 7.316 ( 4.034 -5.285 2.252) 7.020 7.487 ( 5.218 5.799 -1.710) 7.986 7.977 ( 0.143 0.319 -2.695) 2.718 8.212 ( -6.124 0.174 1.127) 6.230 8.492 ( 3.184 -0.012 0.206) 3.191 8.626 ( -0.578 0.334 -1.993) 2.102 8.925 ( -2.151 -0.493 2.520) 3.350 9.379 ( -2.805 -0.804 -1.258) 3.177 9.638 ( -0.917 0.611 1.353) 1.745 9.730 ( 2.287 0.057 1.752) 2.881 9.950 ( 2.032 -0.116 -4.039) 4.523 10.277 ( -3.676 0.391 0.547) 3.737 10.332 ( 2.402 -2.180 5.028) 5.983 10.479 ( -3.167 2.385 -1.882) 4.389 10.595 ( -0.381 -0.672 -3.630) 3.711 10.976 ( 2.289 -0.384 1.247) 2.635 11.307 ( -4.784 0.346 0.004) 4.797 11.804 ( 0.209 -0.063 0.216) 0.307 12.022 ( -4.104 0.590 0.003) 4.146 12.257 ( 6.826 -0.200 -1.768) 7.054 ======================= Grid point 26 (21/125) ======================= q-point: (-0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -14.867 2.430 0.260) 15.066 1.026 ( -19.188 1.716 8.153) 20.919 1.672 ( -16.344 2.591 3.696) 16.956 1.955 ( -11.556 3.436 -2.939) 12.409 2.303 ( 4.122 -2.948 -5.381) 7.392 2.411 ( 1.525 1.913 7.365) 7.760 3.135 ( -4.338 1.658 3.478) 5.802 3.668 ( -0.549 -0.559 -2.981) 3.082 3.828 ( 3.701 -1.346 -5.814) 7.023 3.862 ( -2.666 4.181 -2.974) 5.782 4.132 ( -4.668 -1.219 -1.736) 5.128 4.258 ( 0.650 -1.076 7.330) 7.437 4.876 ( 5.238 -1.275 -2.292) 5.858 5.130 ( 10.166 -2.119 0.675) 10.406 5.390 ( -0.576 -1.603 -0.351) 1.739 5.637 ( 3.734 -2.982 -8.767) 9.985 5.928 ( 6.310 4.090 2.253) 7.850 6.209 ( 1.583 0.395 3.043) 3.453 6.350 ( -8.292 0.066 4.031) 9.220 6.547 ( 1.751 0.902 4.246) 4.680 6.962 ( 7.081 -5.976 4.403) 10.259 7.045 ( 4.029 2.599 -1.265) 4.958 7.322 ( -0.002 -1.465 -1.987) 2.469 7.580 ( 6.130 -0.533 -7.955) 10.057 7.956 ( -0.575 0.060 -1.991) 2.073 8.131 ( -5.603 0.968 1.300) 5.833 8.549 ( 3.020 -0.593 5.003) 5.874 8.627 ( 2.654 -1.801 -1.435) 3.514 8.919 ( -3.093 2.806 4.600) 6.213 9.306 ( -5.076 0.940 -1.017) 5.261 9.635 ( -0.624 -0.677 2.050) 2.248 9.776 ( 3.589 -0.315 -3.795) 5.233 9.975 ( 2.654 0.523 1.617) 3.152 10.221 ( -3.260 0.091 0.190) 3.267 10.366 ( -1.086 0.551 4.498) 4.660 10.416 ( -5.282 0.803 -1.770) 5.628 10.599 ( 4.589 -1.166 -3.652) 5.980 11.013 ( 2.136 -0.725 1.014) 2.473 11.226 ( -5.884 0.814 0.621) 5.973 11.812 ( 0.182 0.610 0.427) 0.767 11.953 ( -4.736 0.687 -1.186) 4.930 12.343 ( 6.311 -0.887 -2.855) 6.984 ======================= Grid point 28 (22/125) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -1.264 9.676 15.303) 18.149 1.097 ( -14.551 9.853 9.845) 20.143 1.717 ( -3.446 7.707 5.607) 10.135 1.981 ( -6.492 8.518 1.028) 10.759 2.223 ( 3.042 -3.843 -2.084) 5.326 2.553 ( -2.546 -0.024 6.301) 6.796 3.135 ( -4.799 0.373 2.207) 5.295 3.706 ( 3.787 -2.407 -11.038) 11.915 3.815 ( -6.688 5.665 -4.600) 9.898 3.825 ( 0.889 7.756 6.088) 9.900 4.027 ( -2.122 2.017 -0.803) 3.036 4.307 ( -0.317 -2.245 4.707) 5.225 4.728 ( 2.010 -3.392 -8.522) 9.390 5.016 ( 2.285 -3.515 -5.539) 6.946 5.444 ( 5.679 2.364 -5.596) 8.316 5.585 ( 9.378 -5.041 2.851) 11.022 6.006 ( -6.817 -5.344 -4.196) 9.624 6.197 ( -3.704 1.989 -2.324) 4.804 6.279 ( 2.833 -2.439 6.087) 7.143 6.642 ( -4.726 -4.196 4.514) 7.766 6.929 ( 1.606 -8.019 -3.095) 8.744 7.045 ( 4.859 -3.803 1.094) 6.266 7.333 ( -0.318 -0.886 -0.053) 0.943 7.419 ( 8.370 2.755 -4.750) 10.011 8.019 ( 2.492 4.652 -0.480) 5.299 8.117 ( -4.022 2.205 0.949) 4.684 8.573 ( 2.517 -2.161 -0.670) 3.384 8.676 ( 3.089 -3.339 4.660) 6.511 8.977 ( -5.512 -1.701 4.765) 7.482 9.336 ( -4.167 5.194 -0.156) 6.661 9.618 ( -0.467 -0.716 1.128) 1.415 9.651 ( 1.522 -2.144 -6.201) 6.735 10.067 ( 1.540 -1.131 0.654) 2.020 10.226 ( -5.034 -1.906 -4.148) 6.795 10.367 ( 5.460 3.940 4.678) 8.199 10.435 ( -3.355 -0.085 5.900) 6.788 10.647 ( 4.424 -0.230 0.697) 4.485 11.011 ( 1.102 -1.591 -0.008) 1.935 11.255 ( -2.427 3.371 2.517) 4.857 11.790 ( -2.068 -0.735 -1.894) 2.899 11.910 ( -2.686 4.569 -3.288) 6.237 12.336 ( 3.277 -2.147 -3.191) 5.052 ======================= Grid point 29 (23/125) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -9.122 10.166 10.656) 17.324 1.174 ( 2.162 10.848 14.044) 17.877 1.831 ( 0.812 11.988 8.339) 14.625 1.979 ( -4.947 8.819 0.182) 10.113 2.228 ( 3.810 -4.956 0.699) 6.290 2.535 ( -2.895 -1.370 5.603) 6.454 3.113 ( -1.092 2.618 2.796) 3.983 3.633 ( -0.110 -4.639 -11.070) 12.003 3.741 ( -5.917 9.643 -6.629) 13.112 3.933 ( -0.893 1.456 8.783) 8.947 4.077 ( 2.516 7.038 0.550) 7.495 4.314 ( 0.099 0.673 3.426) 3.493 4.707 ( 5.407 -5.010 -5.899) 9.441 4.996 ( 1.836 0.250 -5.711) 6.004 5.451 ( -3.893 1.586 -8.428) 9.418 5.690 ( 6.718 -7.052 3.440) 10.329 5.801 ( -4.116 -4.117 -9.047) 10.758 6.197 ( 2.203 -0.491 0.041) 2.258 6.347 ( 3.414 -1.946 6.423) 7.529 6.543 ( -3.609 -5.362 3.202) 7.213 6.822 ( -2.233 -8.050 -2.852) 8.828 7.067 ( 2.087 -4.644 -1.136) 5.217 7.302 ( 0.808 -4.050 -2.000) 4.588 7.595 ( 7.825 5.401 2.005) 9.717 8.071 ( -3.946 1.418 0.755) 4.260 8.114 ( 1.279 6.763 0.408) 6.895 8.583 ( 1.391 -3.299 0.008) 3.580 8.713 ( 2.994 -0.397 0.722) 3.105 8.892 ( -3.324 -6.280 3.458) 7.902 9.322 ( -2.856 4.521 -0.520) 5.373 9.597 ( -1.372 -0.775 -0.510) 1.657 9.628 ( 1.046 -2.007 -1.939) 2.980 10.081 ( -0.169 -3.525 -1.763) 3.945 10.151 ( 0.468 3.114 -1.431) 3.459 10.402 ( -4.005 2.929 1.704) 5.246 10.511 ( 4.827 -1.064 7.034) 8.597 10.693 ( 1.757 -1.881 1.545) 3.002 11.011 ( 0.354 -0.650 0.420) 0.851 11.267 ( -1.510 2.191 2.885) 3.924 11.743 ( -1.391 0.515 -3.040) 3.382 11.910 ( -1.114 5.816 -3.391) 6.824 12.310 ( -0.617 -3.336 -3.900) 5.169 ======================= Grid point 30 (24/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -1.938 8.804 9.539) 13.125 1.389 ( 4.112 10.149 9.936) 14.786 1.888 ( -4.076 3.924 -7.931) 9.742 2.098 ( 2.364 9.515 15.612) 18.436 2.261 ( 2.981 -0.849 1.388) 3.396 2.508 ( -2.101 -2.018 4.918) 5.716 3.178 ( 2.781 3.830 3.747) 6.037 3.519 ( -1.658 -4.513 -7.886) 9.236 3.725 ( -2.421 7.675 -4.961) 9.454 3.962 ( -2.106 2.043 6.161) 6.824 4.123 ( -1.177 1.300 -2.819) 3.320 4.396 ( 2.552 6.751 3.853) 8.182 4.707 ( 3.073 -6.858 -2.772) 8.011 5.039 ( 6.055 0.617 -3.462) 7.002 5.294 ( -8.558 1.751 -6.291) 10.765 5.615 ( -3.854 -5.911 -4.688) 8.471 5.785 ( 3.479 -0.971 -3.034) 4.717 6.209 ( 2.761 -7.901 0.123) 8.371 6.436 ( 3.124 4.678 2.827) 6.295 6.502 ( 2.284 -5.595 3.708) 7.090 6.719 ( -0.057 -5.276 -2.429) 5.808 7.002 ( -1.357 -8.456 -2.340) 8.878 7.275 ( 0.338 -1.296 -1.840) 2.276 7.734 ( 0.308 4.300 3.401) 5.491 8.011 ( -4.646 1.485 0.282) 4.885 8.188 ( 0.352 5.685 0.976) 5.778 8.559 ( 0.668 -3.599 -1.017) 3.799 8.770 ( 1.351 -3.183 4.299) 5.517 8.817 ( 1.408 -3.237 -1.962) 4.039 9.320 ( -1.246 2.942 -1.063) 3.367 9.570 ( -0.064 -0.184 -2.333) 2.341 9.629 ( 1.807 -2.192 1.852) 3.391 10.007 ( -2.241 -2.962 -2.498) 4.476 10.230 ( 3.566 3.367 -0.032) 4.905 10.385 ( -2.184 3.248 0.457) 3.940 10.563 ( -0.149 -1.791 3.063) 3.552 10.697 ( -0.831 -2.431 4.763) 5.411 11.023 ( 1.080 -0.040 1.261) 1.661 11.272 ( -1.020 0.897 0.984) 1.677 11.731 ( 0.647 1.400 -2.416) 2.866 11.936 ( -0.143 5.696 -2.864) 6.378 12.231 ( -2.251 -3.005 -3.550) 5.167 ======================= Grid point 31 (25/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 3.118 6.897 8.454) 11.347 1.601 ( 5.835 8.648 6.671) 12.383 1.782 ( -4.641 0.225 -9.683) 10.740 2.180 ( -4.555 -3.283 9.667) 11.180 2.358 ( 0.581 5.889 3.316) 6.783 2.510 ( 2.646 -0.510 2.918) 3.972 3.293 ( 4.988 2.405 2.528) 6.087 3.422 ( -1.897 -2.930 -2.987) 4.594 3.727 ( 0.006 1.310 -3.179) 3.439 3.975 ( -2.281 4.044 0.307) 4.653 4.090 ( -3.117 3.413 0.583) 4.659 4.521 ( 4.073 5.236 1.240) 6.749 4.634 ( -2.248 -6.104 -2.746) 7.061 5.029 ( -4.205 -3.103 -1.837) 5.539 5.295 ( 6.623 3.690 -1.877) 7.811 5.499 ( -2.869 -0.649 -0.255) 2.952 5.775 ( -1.653 -1.093 -2.271) 3.014 6.163 ( 2.530 -7.325 -3.064) 8.333 6.517 ( 3.828 -6.875 0.549) 7.888 6.532 ( 1.839 3.187 2.645) 4.531 6.729 ( 5.056 1.450 -1.881) 5.586 6.865 ( -2.875 -9.402 -3.008) 10.281 7.260 ( -0.128 -0.512 -1.248) 1.355 7.678 ( -12.112 2.418 2.528) 12.607 7.990 ( -1.310 2.249 1.127) 2.836 8.252 ( 1.555 4.433 0.472) 4.721 8.534 ( 0.019 -3.299 -0.606) 3.355 8.726 ( -1.002 -6.094 5.915) 8.551 8.862 ( 4.051 0.767 -4.802) 6.329 9.326 ( 0.487 1.481 -1.161) 1.943 9.562 ( 0.341 0.474 -2.019) 2.102 9.677 ( 4.688 -1.534 2.684) 5.615 9.937 ( -2.032 -2.115 -2.112) 3.614 10.283 ( 0.111 1.047 -0.698) 1.263 10.403 ( 0.729 3.925 -1.487) 4.260 10.538 ( -2.661 0.143 1.127) 2.893 10.678 ( -2.105 -3.982 7.947) 9.135 11.039 ( -0.372 -0.382 0.299) 0.611 11.279 ( 1.321 1.713 -1.283) 2.515 11.750 ( 1.539 0.492 -0.950) 1.874 11.976 ( 0.993 4.372 -1.293) 4.666 12.162 ( -1.589 -1.459 -2.312) 3.162 ======================= Grid point 32 (26/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 2.534 5.077 8.676) 10.367 1.650 ( -2.751 -1.317 -11.428) 11.828 1.800 ( 6.098 6.601 3.860) 9.780 2.077 ( -8.554 -5.194 7.066) 12.250 2.358 ( -3.429 -0.095 2.141) 4.043 2.578 ( 2.440 0.906 -2.515) 3.619 3.341 ( -0.745 -1.613 -0.148) 1.783 3.412 ( 3.342 -0.609 0.103) 3.399 3.718 ( 1.414 -1.870 -1.030) 2.561 3.977 ( -2.508 6.781 -2.036) 7.512 4.106 ( -1.086 3.172 4.146) 5.332 4.520 ( -2.748 -4.822 -3.331) 6.473 4.629 ( 4.168 2.419 0.562) 4.852 4.924 ( -4.871 -1.451 -0.632) 5.121 5.374 ( 3.463 -0.271 0.269) 3.484 5.571 ( 3.971 6.308 3.949) 8.436 5.704 ( -3.921 -0.622 -2.155) 4.517 6.133 ( 3.853 -6.150 -4.074) 8.322 6.498 ( 1.293 -4.374 -1.356) 4.758 6.591 ( 2.397 -1.452 3.111) 4.187 6.727 ( -1.009 -8.119 -3.441) 8.876 6.827 ( 3.089 4.358 -1.158) 5.466 7.259 ( 1.618 0.157 -1.080) 1.952 7.501 ( -13.049 2.217 2.388) 13.449 7.994 ( -1.771 2.073 1.206) 2.981 8.323 ( 2.594 3.730 -0.225) 4.549 8.472 ( -3.209 -4.020 0.320) 5.154 8.723 ( -1.002 -0.085 5.029) 5.128 8.881 ( 4.218 -3.119 -5.734) 7.771 9.354 ( 1.796 1.342 -0.346) 2.268 9.568 ( 0.865 0.352 -0.379) 1.008 9.763 ( 4.678 0.063 1.921) 5.057 9.879 ( -1.567 -1.618 -2.266) 3.194 10.254 ( -1.711 -1.885 -0.407) 2.578 10.448 ( 0.884 3.361 -1.925) 3.972 10.504 ( -3.796 3.370 -0.102) 5.077 10.661 ( -0.119 -5.275 7.124) 8.865 11.003 ( -2.707 -0.447 -1.426) 3.092 11.330 ( 2.782 2.215 -0.812) 3.648 11.770 ( 1.388 -0.455 -0.318) 1.495 12.028 ( 2.204 1.897 0.249) 2.918 12.129 ( -1.044 0.504 -1.017) 1.542 ======================= Grid point 33 (27/125) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -9.584 -0.098 -1.669) 9.729 1.645 ( 4.975 2.573 -1.888) 5.911 1.832 ( -8.545 -4.118 1.846) 9.664 2.037 ( 4.675 1.900 5.872) 7.742 2.301 ( -3.049 -1.742 -1.532) 3.831 2.557 ( -2.660 0.238 -3.438) 4.353 3.313 ( -3.113 0.208 4.222) 5.250 3.448 ( 5.500 -2.388 -5.579) 8.190 3.731 ( 1.234 -0.693 0.751) 1.602 3.999 ( -1.634 5.959 -0.307) 6.187 4.140 ( 0.023 0.900 2.666) 2.814 4.435 ( -1.268 -4.065 -1.263) 4.442 4.696 ( 2.897 -0.095 -0.086) 2.900 4.857 ( -1.688 -0.628 0.683) 1.926 5.436 ( 1.232 3.042 -1.494) 3.606 5.650 ( 1.113 -5.626 2.548) 6.276 5.680 ( -1.016 10.119 -0.357) 10.176 6.123 ( 3.936 -5.044 -1.759) 6.636 6.479 ( -1.262 0.326 0.117) 1.309 6.574 ( 1.463 -7.964 -0.560) 8.117 6.708 ( 4.518 -2.230 1.701) 5.317 6.878 ( 0.657 2.655 -1.059) 2.933 7.282 ( -0.992 -1.255 0.853) 1.813 7.392 ( -2.797 5.271 -0.431) 5.983 7.988 ( -1.412 1.247 0.584) 1.972 8.371 ( -0.987 -4.699 -1.331) 4.982 8.407 ( -0.534 5.192 1.502) 5.431 8.696 ( -3.203 -0.953 -2.163) 3.980 8.911 ( 3.861 -0.993 1.519) 4.267 9.390 ( 1.111 1.000 0.110) 1.498 9.591 ( 2.016 -0.545 0.103) 2.091 9.808 ( -4.208 2.446 1.971) 5.251 9.852 ( 4.628 -2.626 -3.156) 6.186 10.230 ( 1.596 -2.465 1.701) 3.393 10.424 ( -5.102 1.173 0.889) 5.311 10.510 ( 0.178 4.418 -3.753) 5.800 10.649 ( -0.277 -3.557 2.238) 4.211 10.954 ( -1.696 -0.501 -0.150) 1.775 11.375 ( 0.826 1.042 -0.014) 1.330 11.784 ( 1.124 -0.390 0.034) 1.190 12.078 ( 3.473 -1.168 -0.433) 3.689 12.120 ( -1.635 2.491 0.368) 3.002 ======================= Grid point 34 (28/125) ======================= q-point: (-0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -11.900 -0.411 -4.775) 12.829 1.577 ( -14.943 -0.917 5.521) 15.956 1.778 ( 4.116 -2.105 0.040) 4.623 2.155 ( 4.682 -0.061 -3.445) 5.813 2.227 ( -1.360 -0.149 -2.651) 2.983 2.495 ( -6.094 2.367 4.482) 7.927 3.292 ( -4.775 1.932 6.288) 8.128 3.501 ( 8.243 -1.362 -7.415) 11.171 3.739 ( 0.097 -0.941 0.588) 1.114 4.015 ( -2.840 5.661 -1.065) 6.422 4.140 ( -0.067 -1.603 -1.556) 2.235 4.380 ( -2.072 -3.717 2.852) 5.122 4.734 ( 2.608 -0.481 0.718) 2.747 4.876 ( 4.022 -0.823 0.813) 4.185 5.425 ( -1.303 0.864 -5.094) 5.329 5.592 ( -0.301 -7.902 -4.208) 8.958 5.791 ( 1.340 10.282 3.891) 11.075 6.167 ( 3.291 0.584 3.946) 5.171 6.454 ( 0.594 -1.108 -1.416) 1.894 6.553 ( -0.342 -3.261 4.555) 5.613 6.779 ( 4.784 -2.444 1.984) 5.727 6.908 ( 2.574 1.331 -1.407) 3.221 7.240 ( -0.285 -2.966 1.444) 3.311 7.457 ( 3.255 5.171 -4.428) 7.546 7.977 ( -1.046 0.367 -0.369) 1.168 8.286 ( -3.498 -2.725 -0.202) 4.439 8.473 ( 1.314 3.724 1.202) 4.128 8.612 ( -1.647 -3.064 -4.044) 5.334 8.982 ( 0.464 3.246 5.986) 6.826 9.400 ( -0.842 0.705 -0.211) 1.118 9.616 ( 2.364 -1.853 -0.258) 3.014 9.755 ( -3.104 -0.078 -0.443) 3.136 9.895 ( 2.833 0.572 -0.261) 2.902 10.279 ( 4.386 -2.050 3.770) 6.136 10.352 ( -4.551 0.725 -0.513) 4.637 10.523 ( -0.826 3.771 -2.751) 4.740 10.598 ( -2.982 -1.781 -2.566) 4.318 10.947 ( 1.114 -1.120 1.453) 2.146 11.367 ( -2.269 -0.280 0.396) 2.321 11.800 ( 0.748 0.361 0.380) 0.914 12.083 ( -1.997 0.546 -1.138) 2.363 12.149 ( 3.967 -0.326 -0.134) 3.982 ======================= Grid point 35 (29/125) ======================= q-point: (-0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -11.587 1.764 -0.455) 11.730 1.371 ( -15.926 2.291 7.790) 17.876 1.776 ( -1.002 -2.401 -1.893) 3.218 2.132 ( 1.301 -2.549 -8.496) 8.965 2.223 ( -4.175 3.837 1.281) 5.813 2.489 ( -3.003 3.461 9.548) 10.591 3.263 ( -5.907 2.192 5.963) 8.675 3.588 ( 8.174 -0.264 -6.485) 10.437 3.727 ( -0.202 -0.703 -0.455) 0.862 3.995 ( -5.903 6.830 -2.416) 9.345 4.104 ( 1.234 -3.325 -4.840) 6.000 4.335 ( -3.458 -2.479 6.817) 8.036 4.775 ( 3.351 -0.766 -2.616) 4.320 4.960 ( 7.771 -3.219 0.128) 8.412 5.375 ( -0.865 -3.567 -0.945) 3.790 5.501 ( 2.002 -4.371 -8.605) 9.857 5.922 ( 2.786 7.094 3.158) 8.249 6.227 ( -0.394 1.326 2.407) 2.776 6.500 ( -6.628 1.928 3.241) 7.626 6.531 ( 5.597 0.406 5.438) 7.814 6.832 ( 4.929 -4.772 2.870) 7.437 6.969 ( 5.148 -1.869 -0.289) 5.484 7.245 ( 3.717 -1.560 -3.090) 5.080 7.486 ( 0.786 0.869 -8.029) 8.114 7.961 ( -0.748 0.453 -0.711) 1.127 8.214 ( -3.699 -0.787 0.510) 3.816 8.531 ( 2.102 1.398 2.910) 3.852 8.566 ( 1.133 -2.866 -1.311) 3.349 9.037 ( -2.858 4.337 6.462) 8.291 9.379 ( -2.928 2.159 -0.180) 3.642 9.624 ( 1.511 -2.669 -0.105) 3.068 9.714 ( 0.090 -1.189 -3.903) 4.081 9.958 ( 2.658 1.944 3.750) 4.991 10.269 ( -3.092 -1.065 -0.292) 3.283 10.380 ( 3.759 0.334 3.829) 5.376 10.496 ( -5.405 0.088 -3.960) 6.701 10.532 ( 0.160 1.536 -2.055) 2.571 10.972 ( 2.326 -1.591 1.190) 3.059 11.315 ( -4.057 0.071 0.618) 4.104 11.817 ( 0.324 0.800 0.428) 0.964 12.029 ( -4.563 1.139 -1.499) 4.936 12.218 ( 6.111 -1.305 -1.659) 6.465 ======================= Grid point 37 (30/125) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 1.213 5.607 9.247) 10.882 1.441 ( -11.729 8.174 6.756) 15.812 1.770 ( 3.594 4.551 0.459) 5.817 2.019 ( 3.875 -2.762 -0.321) 4.769 2.234 ( -5.024 0.492 0.031) 5.048 2.632 ( -2.555 0.439 2.955) 3.931 3.248 ( -7.059 0.055 4.091) 8.159 3.560 ( 4.798 -1.761 -8.992) 10.343 3.866 ( 0.820 -2.242 -3.710) 4.411 3.911 ( 0.209 2.961 8.787) 9.275 4.083 ( -3.419 8.024 -3.891) 9.550 4.336 ( -0.115 -2.475 4.157) 4.839 4.683 ( -3.309 0.991 -4.738) 5.863 4.902 ( 3.940 -2.365 -4.111) 6.165 5.380 ( 3.914 4.683 -1.806) 6.365 5.437 ( 6.126 -3.356 3.906) 8.003 6.024 ( -2.773 -4.632 -1.385) 5.573 6.246 ( -3.376 -2.524 0.358) 4.231 6.313 ( -5.509 2.667 -3.974) 7.297 6.683 ( -2.541 -4.355 1.357) 5.222 6.805 ( 2.119 -5.220 -3.829) 6.812 6.925 ( 5.835 -3.043 1.578) 6.767 7.283 ( 5.804 0.684 -2.774) 6.469 7.381 ( -1.301 1.528 3.396) 3.945 8.005 ( 2.540 2.040 -0.506) 3.297 8.194 ( -2.255 2.524 0.591) 3.436 8.522 ( 1.652 -0.678 0.063) 1.787 8.617 ( 2.938 -3.144 2.402) 4.928 9.088 ( -6.462 -1.344 1.348) 6.736 9.427 ( -2.631 1.890 -0.348) 3.258 9.577 ( 1.278 -0.996 -4.532) 4.813 9.636 ( 0.131 1.826 2.916) 3.443 10.026 ( 0.733 -2.629 -2.529) 3.721 10.259 ( -4.415 -1.560 -4.176) 6.274 10.337 ( 4.685 1.390 6.079) 7.800 10.523 ( -2.228 1.029 4.247) 4.905 10.592 ( 3.025 0.851 -0.147) 3.146 10.966 ( 2.026 -1.600 -0.169) 2.587 11.327 ( -1.520 2.830 0.805) 3.312 11.807 ( -1.747 -0.546 -1.123) 2.147 11.982 ( -3.685 3.519 -1.926) 5.447 12.240 ( 4.452 -2.192 -1.298) 5.130 ======================= Grid point 38 (31/125) ======================= q-point: ( 0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 2.027 6.124 10.558) 12.373 1.375 ( -10.584 8.874 7.065) 15.514 1.894 ( 4.264 7.566 -1.469) 8.808 2.071 ( 2.651 2.071 -1.391) 3.640 2.173 ( -1.825 -2.597 6.406) 7.149 2.602 ( -2.837 -1.234 3.184) 4.439 3.194 ( -3.807 2.204 4.353) 6.189 3.529 ( 1.378 -3.221 -9.217) 9.860 3.819 ( -1.089 -0.967 -4.322) 4.561 3.992 ( -0.301 2.692 5.032) 5.715 4.116 ( -0.100 6.925 0.616) 6.953 4.358 ( 1.805 0.288 5.093) 5.411 4.612 ( -2.542 0.544 -5.226) 5.837 4.921 ( 3.416 -0.556 -4.165) 5.415 5.480 ( 1.674 7.846 -2.918) 8.537 5.533 ( 7.098 -5.494 4.189) 9.905 5.824 ( -9.748 -5.427 -7.190) 13.273 6.152 ( -0.820 -5.049 -1.894) 5.454 6.350 ( 1.654 4.723 2.280) 5.500 6.574 ( -4.805 -6.635 2.424) 8.543 6.745 ( 0.344 -5.381 -5.401) 7.632 6.982 ( 3.529 -3.968 0.534) 5.337 7.282 ( -1.760 -2.581 1.608) 3.513 7.502 ( 9.189 3.646 1.111) 9.948 8.068 ( 3.376 0.554 -0.720) 3.496 8.197 ( -2.355 5.661 1.001) 6.212 8.539 ( 1.030 -2.439 0.757) 2.754 8.654 ( 3.938 -1.325 1.519) 4.424 8.952 ( -7.590 -3.592 -0.858) 8.440 9.397 ( -2.824 1.489 -0.575) 3.244 9.569 ( 1.045 -0.624 -2.300) 2.602 9.652 ( -2.520 1.515 2.817) 4.072 10.011 ( 2.504 -3.361 -3.383) 5.386 10.176 ( -2.132 1.394 -2.540) 3.597 10.459 ( 3.549 -3.287 9.622) 10.770 10.508 ( -2.088 5.277 -0.661) 5.713 10.641 ( 2.876 -1.447 -0.128) 3.222 10.985 ( 1.973 -1.277 0.600) 2.425 11.329 ( -2.088 2.240 0.963) 3.211 11.763 ( -2.148 0.303 -1.809) 2.825 11.967 ( -1.841 4.884 -2.274) 5.693 12.253 ( 1.571 -3.521 -2.060) 4.371 ======================= Grid point 39 (32/125) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -7.279 6.144 6.505) 11.535 1.461 ( 3.296 6.910 7.892) 10.996 1.919 ( -3.020 1.196 -9.355) 9.903 2.170 ( 7.704 5.677 -0.925) 9.614 2.230 ( 0.691 0.193 14.164) 14.182 2.563 ( -2.731 -1.740 3.531) 4.791 3.216 ( -0.375 3.595 4.362) 5.665 3.460 ( -0.348 -2.782 -6.530) 7.106 3.764 ( -1.577 -0.679 -4.741) 5.042 4.026 ( -0.585 3.279 1.416) 3.619 4.160 ( -0.922 2.383 1.694) 3.066 4.460 ( 2.697 4.305 5.946) 7.821 4.566 ( 1.790 -2.546 -4.328) 5.331 4.957 ( 3.433 0.819 -2.685) 4.435 5.444 ( -9.484 0.130 -1.842) 9.662 5.570 ( 1.006 -1.462 -3.263) 3.714 5.706 ( 2.326 2.109 -4.580) 5.553 6.086 ( 1.386 -9.180 -0.385) 9.292 6.447 ( 1.963 4.505 0.920) 4.999 6.483 ( -0.989 -3.048 5.097) 6.021 6.670 ( -0.677 -3.284 -4.690) 5.765 6.948 ( -1.771 -7.398 0.617) 7.632 7.255 ( 0.143 -1.143 0.441) 1.233 7.692 ( 9.378 2.739 1.249) 9.850 8.080 ( -1.478 -0.751 -0.256) 1.677 8.238 ( -0.257 5.513 0.762) 5.571 8.518 ( 0.194 -2.993 -0.948) 3.145 8.735 ( 3.769 0.693 3.036) 4.889 8.800 ( -4.905 -3.694 -2.276) 6.548 9.360 ( -2.298 0.399 -0.775) 2.458 9.564 ( 0.070 -0.137 -1.509) 1.516 9.629 ( -2.500 0.212 2.591) 3.606 9.980 ( 0.210 -3.541 -3.018) 4.658 10.206 ( 2.800 3.769 -0.866) 4.774 10.452 ( -2.601 -1.458 4.513) 5.409 10.572 ( 0.450 2.469 0.955) 2.685 10.666 ( 3.393 -2.025 0.025) 3.951 11.010 ( 1.474 -0.783 1.917) 2.542 11.309 ( -2.358 0.508 0.159) 2.418 11.735 ( -0.938 1.308 -1.474) 2.183 11.979 ( -0.852 4.700 -2.020) 5.186 12.210 ( -0.817 -3.544 -2.161) 4.231 ======================= Grid point 40 (33/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -0.912 3.902 3.872) 5.572 1.622 ( 4.428 5.744 6.297) 9.605 1.794 ( -4.479 -2.401 -8.277) 9.713 2.256 ( -0.666 -1.290 4.313) 4.551 2.371 ( 4.477 5.159 3.392) 7.627 2.524 ( -2.106 -1.194 2.346) 3.371 3.275 ( 1.457 1.950 2.065) 3.192 3.410 ( -0.511 -1.040 -1.893) 2.220 3.709 ( -0.696 -1.625 -3.443) 3.870 4.048 ( -1.238 3.610 -0.112) 3.818 4.167 ( -1.542 2.010 1.861) 3.143 4.524 ( 0.057 3.040 -0.911) 3.174 4.576 ( 2.532 -3.800 0.598) 4.605 5.000 ( 2.216 -1.362 -0.537) 2.656 5.313 ( -4.061 1.092 -0.788) 4.278 5.539 ( -2.023 2.607 -1.142) 3.492 5.750 ( 2.215 0.686 -3.039) 3.822 6.027 ( 1.932 -7.990 -1.302) 8.323 6.441 ( 0.740 -2.965 1.035) 3.226 6.569 ( -0.338 2.444 5.069) 5.638 6.656 ( 4.883 4.410 -5.747) 8.736 6.821 ( -3.812 -9.106 0.179) 9.873 7.256 ( 0.105 -0.231 -0.129) 0.285 7.815 ( 0.254 1.504 1.263) 1.980 8.033 ( -2.238 0.423 0.356) 2.305 8.276 ( 0.018 2.658 0.251) 2.670 8.496 ( 0.559 -1.647 -0.795) 1.912 8.703 ( -0.825 -4.110 1.675) 4.514 8.816 ( 1.981 1.766 -1.178) 2.903 9.330 ( -0.756 -0.049 -0.670) 1.012 9.557 ( -0.120 0.874 -1.374) 1.633 9.624 ( 1.011 -1.167 1.956) 2.492 9.938 ( -0.825 -1.421 -1.532) 2.247 10.271 ( 1.683 1.325 -0.379) 2.175 10.437 ( -1.035 1.376 0.707) 1.862 10.568 ( -0.976 -0.180 0.565) 1.142 10.698 ( 0.518 -1.529 2.069) 2.624 11.036 ( 0.771 -0.270 1.210) 1.459 11.278 ( -0.841 0.264 -0.818) 1.202 11.737 ( 0.330 0.750 -0.566) 0.996 11.998 ( -0.070 2.887 -0.805) 2.998 12.159 ( -0.933 -1.641 -1.289) 2.286 ======================= Grid point 41 (34/125) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 5.667 1.358 0.988) 5.911 1.636 ( -4.528 -3.851 -7.649) 9.687 1.790 ( 4.676 4.115 6.663) 9.121 2.200 ( -7.015 -3.453 4.953) 9.255 2.392 ( -1.824 -1.006 -5.452) 5.836 2.547 ( 2.121 2.195 -0.475) 3.089 3.303 ( 1.720 -1.180 -1.589) 2.622 3.398 ( -0.407 -0.493 1.316) 1.463 3.695 ( 0.768 0.390 1.234) 1.505 4.052 ( -1.509 2.698 -0.599) 3.149 4.172 ( -1.276 1.955 1.237) 2.642 4.511 ( -3.083 -1.542 -2.515) 4.268 4.579 ( 2.886 -1.332 0.132) 3.181 4.970 ( -2.871 -2.672 0.593) 3.966 5.339 ( 2.990 4.541 0.689) 5.481 5.576 ( 2.431 -1.079 7.593) 8.046 5.740 ( -0.832 1.230 -5.641) 5.833 5.998 ( 2.197 -3.333 -1.699) 4.338 6.440 ( 1.420 0.552 -2.400) 2.842 6.593 ( -0.445 -1.803 6.904) 7.149 6.647 ( -1.549 -7.751 -5.102) 9.408 6.819 ( 4.356 7.934 -1.926) 9.254 7.249 ( -0.376 -0.012 -0.125) 0.397 7.719 ( -11.131 0.006 0.752) 11.156 8.045 ( -0.386 2.021 1.156) 2.360 8.301 ( 1.723 0.301 -0.647) 1.865 8.484 ( -0.836 -1.599 1.242) 2.191 8.723 ( 3.959 0.317 3.025) 4.993 8.806 ( -1.513 -1.352 -4.008) 4.492 9.340 ( 1.472 1.239 0.042) 1.925 9.559 ( 0.228 0.128 -0.243) 0.357 9.666 ( 4.856 -1.432 -0.234) 5.068 9.912 ( -1.762 1.129 0.298) 2.113 10.260 ( -1.800 -2.723 0.319) 3.279 10.451 ( 0.792 4.128 -4.087) 5.863 10.575 ( 0.095 1.338 1.866) 2.298 10.665 ( -3.130 -4.034 3.518) 6.200 11.025 ( -1.585 0.002 -1.744) 2.356 11.299 ( 2.527 1.139 0.127) 2.775 11.746 ( 0.891 -0.523 0.046) 1.034 12.016 ( 0.791 -0.368 0.576) 1.045 12.146 ( -0.161 1.521 0.055) 1.530 ======================= Grid point 43 (35/125) ======================= q-point: (-0.33 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -4.767 -4.032 -9.021) 10.971 1.517 ( 8.590 -1.085 -0.062) 8.659 1.906 ( -0.177 -0.533 5.724) 5.752 2.070 ( -5.528 -2.741 5.283) 8.123 2.297 ( -2.330 -1.821 -10.555) 10.961 2.580 ( 0.333 2.477 -0.893) 2.654 3.302 ( 3.176 -2.729 -4.655) 6.261 3.403 ( -1.269 0.996 4.632) 4.905 3.736 ( 0.437 1.734 3.531) 3.958 4.049 ( -0.326 0.887 -0.523) 1.080 4.174 ( -1.092 1.694 -0.676) 2.125 4.414 ( -3.489 -2.931 -2.024) 4.987 4.627 ( 4.741 -2.689 0.762) 5.504 4.900 ( -3.691 -1.608 1.767) 4.397 5.448 ( 1.142 7.469 -1.592) 7.721 5.607 ( 0.235 -8.275 6.922) 10.791 5.730 ( 3.152 2.775 -3.721) 5.611 6.027 ( 2.801 1.990 1.163) 3.627 6.481 ( 2.791 -0.276 -0.839) 2.927 6.501 ( -2.319 -3.654 -2.405) 4.951 6.648 ( 2.320 -0.738 3.941) 4.632 6.910 ( -0.229 5.565 -1.686) 5.819 7.264 ( 2.021 1.728 -1.595) 3.101 7.540 ( -10.743 -0.186 0.691) 10.767 8.042 ( -2.678 1.481 1.395) 3.364 8.310 ( 1.659 -4.234 -1.314) 4.734 8.475 ( -1.124 3.321 1.069) 3.666 8.711 ( -3.951 -3.049 -4.038) 6.420 8.852 ( 6.772 2.870 3.810) 8.283 9.384 ( 1.763 1.529 0.467) 2.380 9.563 ( 0.568 -0.736 0.242) 0.960 9.726 ( 5.420 -2.505 -2.821) 6.604 9.905 ( -2.863 3.314 2.721) 5.155 10.205 ( -0.770 -3.443 1.195) 3.725 10.477 ( 0.044 4.892 -6.981) 8.525 10.569 ( -4.867 0.582 2.381) 5.450 10.614 ( 1.327 -3.718 2.079) 4.462 10.983 ( -2.411 0.211 -1.335) 2.764 11.352 ( 2.566 0.141 0.204) 2.578 11.760 ( 1.512 -0.731 0.603) 1.784 12.023 ( 1.583 -2.880 0.943) 3.419 12.170 ( -0.677 3.432 0.936) 3.622 ======================= Grid point 44 (36/125) ======================= q-point: (-0.22 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -6.971 -3.002 -7.647) 10.774 1.632 ( 9.174 -5.236 -2.873) 10.947 1.799 ( -10.189 -2.037 5.942) 11.970 2.062 ( 0.217 -3.098 -3.630) 4.777 2.223 ( 1.516 2.025 -4.396) 5.072 2.604 ( -1.054 2.844 2.559) 3.968 3.324 ( 6.498 -1.791 -5.816) 8.903 3.421 ( -3.183 2.473 7.242) 8.288 3.764 ( -1.323 1.835 3.139) 3.869 4.046 ( 0.635 -0.682 -3.234) 3.365 4.151 ( -2.031 0.902 -2.611) 3.429 4.352 ( 0.151 -3.726 0.712) 3.796 4.685 ( 4.256 -2.354 2.436) 5.440 4.857 ( -1.662 -0.767 1.986) 2.701 5.436 ( -3.593 2.759 -6.647) 8.044 5.522 ( -2.204 -9.112 -0.618) 9.395 5.868 ( 4.759 8.180 3.309) 10.026 6.133 ( 5.263 3.592 5.027) 8.116 6.396 ( -0.240 -6.496 -1.050) 6.584 6.577 ( 1.838 5.365 1.774) 5.942 6.711 ( 3.353 -0.023 3.256) 4.674 6.907 ( -2.279 1.759 -1.380) 3.193 7.277 ( -3.014 -0.003 -0.126) 3.017 7.435 ( -0.830 1.420 -3.376) 3.756 8.012 ( -2.720 0.243 0.868) 2.866 8.272 ( 0.155 -4.676 -0.817) 4.749 8.510 ( 0.035 4.140 -0.608) 4.185 8.603 ( -3.558 -2.036 -2.588) 4.848 9.008 ( 5.133 4.010 5.020) 8.223 9.417 ( 0.388 1.441 0.335) 1.529 9.566 ( 1.102 -1.836 0.409) 2.180 9.735 ( 1.490 -3.514 -4.333) 5.775 9.919 ( -1.485 3.616 4.546) 5.996 10.217 ( 3.583 -1.198 2.619) 4.597 10.417 ( -4.922 0.439 -5.198) 7.172 10.554 ( 0.067 1.997 -0.549) 2.072 10.601 ( -1.234 -1.377 -1.145) 2.175 10.948 ( -1.431 -0.100 0.401) 1.490 11.373 ( 0.658 -1.483 0.109) 1.626 11.788 ( 1.666 0.149 0.881) 1.891 12.033 ( 2.942 -3.215 0.414) 4.378 12.181 ( -2.538 2.971 0.779) 3.984 ======================= Grid point 45 (37/125) ======================= q-point: (-0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -6.523 -0.937 -3.704) 7.560 1.614 ( -5.713 -2.811 2.915) 7.002 1.722 ( 0.082 -2.072 -0.979) 2.293 2.001 ( 1.808 -2.141 -7.085) 7.619 2.282 ( 1.830 2.331 0.619) 3.027 2.624 ( -2.297 2.682 4.967) 6.094 3.405 ( 7.269 -0.035 -5.745) 9.265 3.416 ( -4.207 1.506 7.057) 8.353 3.773 ( -2.314 2.812 4.113) 5.494 4.008 ( 1.369 -3.607 -8.401) 9.245 4.116 ( -2.987 3.035 -1.023) 4.379 4.344 ( 1.032 -3.480 2.812) 4.592 4.737 ( 2.106 -0.722 1.602) 2.743 4.853 ( 1.622 -1.781 0.570) 2.475 5.360 ( -2.498 -2.700 -1.233) 3.879 5.412 ( -0.825 -3.253 -5.933) 6.816 5.985 ( 0.059 6.379 1.847) 6.641 6.255 ( 0.417 1.613 1.127) 2.011 6.430 ( 9.982 -0.508 5.725) 11.518 6.628 ( -3.641 3.466 3.404) 6.071 6.768 ( 1.652 -0.249 1.169) 2.039 6.884 ( 1.174 -1.434 -1.507) 2.388 7.211 ( -2.427 -1.065 -0.080) 2.652 7.439 ( 1.441 0.429 -6.053) 6.237 7.979 ( -1.518 -0.128 0.151) 1.530 8.233 ( -0.546 -2.309 -0.135) 2.377 8.518 ( 0.300 -0.971 -1.431) 1.755 8.561 ( -1.321 2.131 0.665) 2.594 9.125 ( 1.420 3.445 4.448) 5.803 9.433 ( -0.730 2.441 0.473) 2.592 9.568 ( 1.349 -2.069 0.119) 2.473 9.680 ( -0.598 -3.656 -3.760) 5.278 9.977 ( 1.043 3.240 4.744) 5.839 10.290 ( 0.420 -1.199 1.672) 2.100 10.328 ( 0.979 0.261 -3.073) 3.235 10.536 ( -3.638 -1.203 -2.736) 4.708 10.569 ( -0.473 2.310 -0.611) 2.436 10.941 ( 0.325 -0.704 0.805) 1.117 11.353 ( -1.135 -1.462 0.170) 1.858 11.818 ( 0.915 0.666 0.629) 1.295 12.059 ( 2.338 -1.466 -0.463) 2.799 12.158 ( -1.941 1.027 0.111) 2.199 ======================= Grid point 93 (38/125) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 0.000 -0.000 26.061) 26.061 0.469 ( 0.000 -0.000 26.061) 26.061 0.765 ( 0.000 -0.000 43.810) 43.810 1.734 ( -0.000 0.000 -0.239) 0.239 2.443 ( 0.000 -0.000 1.018) 1.018 2.443 ( 0.000 -0.000 1.018) 1.018 3.029 ( 0.000 -0.000 1.243) 1.243 3.029 ( 0.000 -0.000 1.243) 1.243 3.698 ( 0.000 -0.000 7.137) 7.137 3.698 ( 0.000 -0.000 7.137) 7.137 3.971 ( -0.000 0.000 -15.944) 15.944 4.471 ( 0.000 -0.000 5.631) 5.631 4.934 ( -0.000 0.000 -6.215) 6.215 4.934 ( -0.000 0.000 -6.215) 6.215 5.666 ( -0.000 0.000 -14.288) 14.288 5.969 ( -0.000 0.000 -5.597) 5.597 5.969 ( -0.000 0.000 -5.597) 5.597 6.250 ( 0.000 -0.000 10.979) 10.979 6.565 ( 0.000 -0.000 1.430) 1.430 6.565 ( 0.000 -0.000 1.430) 1.430 7.130 ( 0.000 -0.000 2.708) 2.708 7.130 ( 0.000 -0.000 2.708) 2.708 7.360 ( -0.000 0.000 -2.556) 2.556 7.898 ( 0.000 -0.000 4.429) 4.429 7.930 ( -0.000 0.000 -0.689) 0.689 7.930 ( -0.000 0.000 -0.689) 0.689 8.703 ( -0.000 0.000 -0.828) 0.828 8.703 ( -0.000 0.000 -0.828) 0.828 9.026 ( 0.000 -0.000 0.313) 0.313 9.327 ( -0.000 0.000 -3.208) 3.208 9.632 ( 0.000 -0.000 0.777) 0.777 9.632 ( 0.000 -0.000 0.777) 0.777 9.941 ( 0.000 -0.000 1.494) 1.494 10.225 ( -0.000 0.000 -1.070) 1.070 10.225 ( -0.000 0.000 -1.070) 1.070 10.847 ( -0.000 -0.000 0.034) 0.034 10.847 ( 0.000 0.000 0.034) 0.034 10.907 ( -0.000 0.000 -4.153) 4.153 11.089 ( 0.000 -0.000 4.674) 4.674 11.794 ( -0.000 0.000 -2.320) 2.320 11.794 ( -0.000 0.000 -2.320) 2.320 12.257 ( -0.000 0.000 -0.478) 0.478 ======================= Grid point 94 (39/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 7.203 4.857 21.105) 22.823 0.742 ( 7.261 5.627 22.099) 23.932 1.198 ( 16.748 9.460 31.882) 37.235 1.756 ( 2.437 0.587 -0.717) 2.607 2.385 ( -3.865 -1.955 -0.100) 4.332 2.504 ( 2.237 1.057 3.578) 4.350 3.067 ( 1.723 2.155 2.055) 3.440 3.318 ( 17.847 8.569 -14.220) 24.375 3.726 ( 0.614 -1.774 7.589) 7.817 3.844 ( -1.578 0.129 -12.237) 12.339 3.866 ( 5.900 5.659 4.812) 9.486 4.439 ( -4.300 -2.210 1.185) 4.978 4.844 ( -3.254 -0.777 -8.603) 9.231 5.015 ( 6.211 5.451 -7.382) 11.081 5.518 ( -4.392 -5.283 -13.882) 15.489 5.874 ( -4.996 -4.208 -4.645) 8.015 5.960 ( 2.142 0.209 -6.457) 6.806 6.197 ( -6.751 0.370 10.828) 12.765 6.513 ( -5.235 -3.193 3.606) 7.114 6.651 ( 2.676 2.066 5.736) 6.658 7.075 ( -2.072 -0.850 -0.498) 2.294 7.152 ( -0.618 0.164 1.702) 1.818 7.372 ( -1.326 -0.428 3.948) 4.187 7.652 ( -15.362 -8.716 0.224) 17.664 7.921 ( 1.526 -1.839 -1.424) 2.782 7.986 ( 3.686 2.935 0.330) 4.723 8.668 ( -2.393 -0.162 -1.255) 2.707 8.746 ( 1.421 2.288 0.718) 2.788 9.084 ( -0.271 -0.001 4.191) 4.199 9.146 ( -3.876 -3.201 3.548) 6.153 9.644 ( -0.862 1.944 1.114) 2.401 9.689 ( 1.777 -0.277 -5.893) 6.161 10.038 ( 5.480 3.679 0.447) 6.616 10.211 ( 1.392 -3.371 -1.075) 3.803 10.227 ( 0.540 2.138 -1.761) 2.822 10.625 ( -12.072 -4.790 14.535) 19.492 10.760 ( -4.085 -4.587 -0.931) 6.212 10.965 ( 4.275 2.340 -2.421) 5.442 11.182 ( 1.731 1.009 5.748) 6.087 11.765 ( 2.276 -0.678 -5.196) 5.713 11.792 ( -0.339 2.395 -2.548) 3.513 12.335 ( 4.057 0.231 -7.201) 8.269 ======================= Grid point 95 (40/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 7.141 0.376 19.025) 20.324 1.060 ( 9.407 10.939 15.555) 21.216 1.654 ( 7.986 6.446 11.111) 15.125 1.843 ( 10.026 3.424 4.570) 11.538 2.289 ( -5.459 -2.266 0.056) 5.911 2.569 ( 2.135 0.416 4.623) 5.109 3.150 ( 2.953 4.658 3.304) 6.429 3.552 ( 14.388 3.733 -9.232) 17.498 3.684 ( -2.431 -3.876 -9.424) 10.476 3.796 ( 1.587 0.210 6.620) 6.810 4.045 ( 1.811 4.679 2.972) 5.831 4.360 ( -1.895 0.006 -0.144) 1.900 4.734 ( -3.678 -0.001 -8.519) 9.279 5.062 ( -2.976 3.183 -5.272) 6.840 5.341 ( 0.134 -5.424 -11.609) 12.815 5.697 ( -8.585 -6.295 0.278) 10.649 5.966 ( 3.655 -0.991 -6.793) 7.777 6.210 ( -0.754 6.833 1.128) 6.966 6.404 ( -6.882 -3.856 6.056) 9.945 6.734 ( 0.361 2.113 7.926) 8.210 7.052 ( -3.729 0.881 -0.743) 3.903 7.107 ( -3.464 -2.601 -0.319) 4.344 7.328 ( -4.048 -3.639 3.385) 6.410 7.391 ( -6.268 -4.609 -5.375) 9.456 7.927 ( 2.574 -2.155 -1.706) 3.765 8.086 ( 4.313 3.411 0.614) 5.533 8.611 ( -3.351 -0.613 -1.270) 3.636 8.769 ( -3.009 1.071 3.465) 4.712 9.031 ( -1.365 -1.005 5.124) 5.397 9.232 ( 6.775 1.862 -0.796) 7.071 9.640 ( -1.388 -0.634 -3.260) 3.599 9.659 ( -1.327 1.084 -0.105) 1.716 10.093 ( -1.468 1.027 0.055) 1.793 10.231 ( 4.688 -1.752 -1.433) 5.206 10.258 ( 2.394 1.779 -2.165) 3.685 10.560 ( -5.252 0.261 13.735) 14.707 10.652 ( -3.255 -5.401 0.217) 6.309 11.018 ( 1.068 1.224 -1.382) 2.132 11.235 ( 1.181 0.135 4.621) 4.771 11.788 ( 2.069 0.719 -3.243) 3.913 11.813 ( 3.613 3.498 -4.615) 6.826 12.310 ( 0.150 -3.122 -5.863) 6.644 ======================= Grid point 96 (41/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 3.321 -0.335 15.609) 15.961 1.383 ( 9.519 9.401 10.057) 16.737 1.715 ( 0.568 -1.902 -0.820) 2.148 2.059 ( -0.113 2.312 2.772) 3.611 2.229 ( 1.451 1.527 3.456) 4.048 2.629 ( 2.135 0.172 2.578) 3.352 3.278 ( 3.636 6.881 4.455) 8.967 3.529 ( -3.034 -4.236 -8.087) 9.621 3.793 ( 14.327 -0.164 -0.526) 14.338 3.876 ( 1.588 2.383 4.413) 5.261 3.996 ( -4.158 -2.313 -4.662) 6.661 4.418 ( 0.638 3.975 5.461) 6.784 4.649 ( -0.910 1.272 -7.161) 7.330 4.936 ( -6.315 -1.691 -5.796) 8.737 5.303 ( 2.019 -0.668 -4.342) 4.835 5.529 ( -6.868 -4.993 3.806) 9.306 5.974 ( 4.305 -2.741 -6.827) 8.524 6.287 ( 1.158 6.835 -2.337) 7.316 6.330 ( -2.395 1.822 2.390) 3.843 6.772 ( -2.763 -0.066 5.854) 6.474 6.909 ( -9.057 -1.149 -2.102) 9.368 7.019 ( -7.065 -1.308 -0.112) 7.186 7.213 ( -0.973 -6.944 -3.761) 7.957 7.364 ( 2.853 0.122 2.899) 4.069 7.940 ( 2.478 -1.801 -1.481) 3.403 8.176 ( 2.624 2.917 0.803) 4.004 8.544 ( -3.077 -1.110 -0.792) 3.365 8.709 ( -5.879 -1.771 4.451) 7.584 9.088 ( 3.756 2.553 -0.648) 4.587 9.347 ( 6.455 1.162 -1.075) 6.646 9.580 ( -1.788 -1.206 -2.716) 3.468 9.655 ( -1.659 1.280 1.976) 2.880 10.055 ( -2.460 0.001 -2.199) 3.299 10.268 ( 1.520 0.332 -1.221) 1.978 10.298 ( 2.266 0.409 -1.111) 2.557 10.571 ( -1.557 -5.153 2.495) 5.933 10.592 ( -1.729 2.299 10.197) 10.595 10.998 ( -2.745 -0.669 -0.818) 2.941 11.284 ( 2.671 0.481 0.445) 2.750 11.804 ( 0.911 1.255 -1.737) 2.328 11.906 ( 5.772 3.873 -2.762) 7.479 12.237 ( -1.388 -3.937 -3.669) 5.557 ======================= Grid point 97 (42/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -3.722 -2.217 10.330) 11.201 1.588 ( 0.790 2.170 1.405) 2.703 1.699 ( 1.547 -1.029 1.457) 2.361 2.019 ( -1.461 -0.997 5.523) 5.800 2.307 ( 0.906 2.266 1.237) 2.736 2.632 ( -1.887 -0.985 -4.579) 5.049 3.395 ( -2.593 -3.336 -5.813) 7.187 3.441 ( 3.517 6.159 6.031) 9.310 3.809 ( -5.261 -0.797 -6.643) 8.511 3.970 ( 6.558 -3.344 8.725) 11.415 4.041 ( 8.143 1.911 -2.777) 8.813 4.401 ( -7.248 1.185 2.817) 7.866 4.684 ( 4.938 3.010 -4.025) 7.046 4.838 ( -1.190 -0.418 -1.577) 2.019 5.306 ( 0.815 -0.737 -0.427) 1.179 5.452 ( -2.203 -2.090 6.844) 7.488 5.964 ( 2.829 -3.150 -7.602) 8.701 6.292 ( -1.119 -0.359 2.371) 2.646 6.422 ( 3.299 11.844 -6.568) 13.940 6.680 ( -6.235 -3.941 -1.770) 7.585 6.805 ( -4.652 0.631 1.333) 4.880 6.899 ( -4.181 -1.484 0.445) 4.458 7.172 ( 2.539 -1.403 -1.200) 3.139 7.444 ( 3.665 -1.290 5.921) 7.083 7.954 ( 1.599 -0.783 -1.150) 2.120 8.225 ( 0.143 1.370 1.252) 1.862 8.499 ( -0.247 -1.286 -0.426) 1.377 8.628 ( -4.894 -1.108 2.445) 5.581 9.125 ( 0.603 0.397 -5.887) 5.931 9.430 ( 3.448 0.349 -1.527) 3.787 9.550 ( -0.490 1.126 -0.740) 1.434 9.661 ( 0.263 -0.429 3.822) 3.855 10.001 ( -2.138 0.797 -4.334) 4.898 10.274 ( 0.139 -0.938 -0.077) 0.952 10.331 ( 1.555 1.731 -0.188) 2.334 10.530 ( -0.628 -3.964 2.773) 4.878 10.636 ( -2.338 1.356 7.036) 7.538 10.940 ( -1.797 -0.516 -1.293) 2.273 11.320 ( 1.639 -0.013 -1.350) 2.123 11.818 ( 0.588 0.749 -1.201) 1.532 12.021 ( 5.016 3.625 -0.263) 6.194 12.163 ( -1.564 -3.014 -1.668) 3.783 ======================= Grid point 98 (43/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -9.950 -5.594 5.290) 12.581 1.436 ( -12.448 -5.787 -2.916) 14.034 1.763 ( 1.584 -0.076 4.094) 4.390 2.107 ( 5.154 0.294 8.695) 10.112 2.301 ( -3.950 -0.540 0.787) 4.064 2.494 ( -6.122 -2.119 -11.707) 13.380 3.269 ( -4.385 -4.132 -3.711) 7.077 3.612 ( 5.187 6.486 5.386) 9.899 3.719 ( -1.196 -0.568 -3.855) 4.076 4.043 ( 1.364 -4.614 2.528) 5.435 4.117 ( 1.082 2.013 0.929) 2.467 4.311 ( -5.805 -0.915 1.074) 5.974 4.752 ( 3.476 2.353 -1.808) 4.570 4.897 ( 6.428 2.821 2.229) 7.365 5.315 ( 1.570 -1.337 0.460) 2.113 5.499 ( 2.687 1.099 8.487) 8.970 5.928 ( 1.923 -1.221 -8.936) 9.222 6.270 ( -2.881 0.477 0.032) 2.920 6.488 ( -2.633 -1.887 -2.993) 4.410 6.578 ( -1.833 6.268 -4.145) 7.735 6.751 ( 0.071 -0.198 -3.008) 3.015 6.914 ( 4.663 0.778 1.739) 5.037 7.248 ( 4.321 4.722 1.786) 6.645 7.510 ( 2.329 -3.242 8.177) 9.099 7.963 ( 0.594 0.085 -0.577) 0.832 8.216 ( -2.202 -1.022 1.017) 2.632 8.513 ( 3.081 -0.901 0.141) 3.214 8.568 ( -3.212 0.878 0.073) 3.331 9.054 ( -3.070 -2.078 -6.791) 7.737 9.424 ( -2.604 -0.189 -1.729) 3.132 9.576 ( 2.107 0.912 -0.508) 2.352 9.701 ( 2.362 -0.101 2.933) 3.767 9.967 ( -0.447 1.413 -3.259) 3.580 10.258 ( -0.836 -1.219 0.027) 1.479 10.375 ( 1.410 2.454 -1.302) 3.116 10.504 ( -0.715 -4.014 4.448) 6.034 10.604 ( -4.765 -0.285 2.746) 5.507 10.943 ( 1.821 1.308 -0.334) 2.267 11.311 ( -1.173 -1.266 -1.331) 2.179 11.820 ( 0.060 0.172 -1.120) 1.135 12.055 ( -2.321 -2.326 0.728) 3.366 12.184 ( 5.240 3.594 -0.186) 6.357 ======================= Grid point 99 (44/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -12.694 -8.538 3.865) 15.779 1.125 ( -17.177 -7.380 -0.153) 18.696 1.734 ( -7.567 -5.226 2.590) 9.554 2.068 ( -11.968 -8.338 1.186) 14.634 2.283 ( 3.517 2.740 5.212) 6.859 2.383 ( 0.492 1.134 -8.794) 8.880 3.151 ( -4.141 -2.648 -2.409) 5.474 3.685 ( -0.721 -0.355 2.173) 2.317 3.790 ( 6.841 3.657 0.051) 7.757 3.951 ( -5.305 -4.086 -2.333) 7.091 4.172 ( -3.518 0.460 8.057) 8.803 4.203 ( -0.699 -1.113 -4.317) 4.512 4.841 ( 5.011 3.530 -1.634) 6.343 5.076 ( 8.675 4.662 3.488) 10.448 5.337 ( 2.474 -1.106 0.290) 2.725 5.623 ( 4.494 2.091 6.357) 8.061 5.930 ( 4.363 2.535 -8.223) 9.647 6.224 ( -2.262 0.046 -0.084) 2.264 6.353 ( -6.617 -5.285 -0.091) 8.469 6.566 ( -2.421 3.018 -4.809) 6.172 6.824 ( 7.545 4.510 -4.826) 10.028 7.024 ( 5.643 1.461 1.111) 5.934 7.360 ( 0.820 3.953 2.806) 4.917 7.578 ( 4.593 -1.155 6.739) 8.236 7.968 ( 0.035 0.070 0.577) 0.582 8.151 ( -4.082 -2.858 0.110) 4.984 8.539 ( -0.056 0.958 0.051) 0.961 8.586 ( 3.944 1.196 1.252) 4.307 8.941 ( -3.976 -2.040 -4.810) 6.565 9.350 ( -4.614 -1.572 -0.598) 4.911 9.601 ( 1.229 -0.243 -0.884) 1.533 9.759 ( 3.193 2.086 -1.916) 4.268 9.976 ( 1.209 0.578 0.891) 1.609 10.224 ( -1.960 -0.842 -1.091) 2.396 10.374 ( -2.085 0.491 -1.840) 2.824 10.464 ( -3.506 -4.188 4.760) 7.245 10.592 ( 2.121 1.565 1.778) 3.179 10.991 ( 2.169 1.528 -0.074) 2.654 11.248 ( -3.796 -2.475 -0.549) 4.564 11.812 ( -0.146 -0.033 -1.420) 1.428 11.985 ( -3.744 -2.553 0.684) 4.583 12.312 ( 5.982 3.587 -0.194) 6.977 ======================= Grid point 100 (45/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -12.339 -10.371 7.426) 17.747 0.788 ( -19.196 -6.133 7.381) 21.461 1.380 ( -25.282 -15.112 4.554) 29.804 1.872 ( -5.976 -4.297 0.474) 7.376 2.366 ( 2.016 2.606 -3.432) 4.758 2.404 ( 2.827 0.404 3.451) 4.480 3.069 ( -2.804 -1.195 -1.096) 3.240 3.684 ( -0.464 -1.915 4.224) 4.661 3.770 ( -5.345 -4.777 -5.284) 8.906 3.929 ( 3.102 2.085 -2.830) 4.688 4.064 ( -4.463 -0.808 -5.548) 7.166 4.284 ( 3.396 2.913 4.928) 6.656 4.929 ( 3.466 3.147 -3.071) 5.599 5.218 ( 1.467 5.148 -9.128) 10.582 5.420 ( 8.818 -1.420 10.902) 14.094 5.721 ( 3.851 1.418 -0.067) 4.105 5.988 ( 2.659 2.624 -6.337) 7.356 6.192 ( -5.926 -3.073 0.730) 6.715 6.273 ( 4.092 3.342 5.325) 7.502 6.542 ( -0.410 1.625 -1.974) 2.589 6.952 ( 6.638 3.795 -5.659) 9.513 7.112 ( 2.602 1.806 1.013) 3.325 7.361 ( -3.930 -1.707 6.203) 7.539 7.682 ( 5.233 2.452 -5.614) 8.057 7.969 ( -0.182 -1.403 1.465) 2.037 8.051 ( -4.692 -2.738 0.005) 5.433 8.581 ( 1.965 2.133 5.308) 6.049 8.677 ( 3.569 1.428 3.456) 5.169 8.863 ( -1.153 0.065 -1.428) 1.837 9.247 ( -5.430 -3.178 0.138) 6.294 9.609 ( 0.465 0.462 -0.743) 0.991 9.804 ( 2.901 2.345 -7.636) 8.499 10.027 ( 2.595 0.034 5.910) 6.455 10.166 ( -2.659 -1.199 -2.963) 4.158 10.318 ( -2.740 -2.210 -0.162) 3.524 10.408 ( -3.808 -0.904 6.827) 7.869 10.678 ( 5.013 1.698 0.716) 5.341 11.027 ( 1.039 0.860 -0.968) 1.661 11.154 ( -4.603 -2.839 1.713) 5.673 11.802 ( -0.027 0.202 -1.977) 1.988 11.904 ( -3.777 -2.202 -0.403) 4.390 12.419 ( 4.822 1.869 -2.515) 5.750 ======================= Grid point 103 (46/125) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.785 4.211 21.108) 21.539 0.900 ( 0.446 11.135 18.798) 21.853 1.383 ( 0.329 14.218 33.543) 36.433 1.760 ( -0.824 3.060 -0.153) 3.173 2.392 ( 0.325 -4.029 1.112) 4.192 2.512 ( -0.234 1.445 3.390) 3.693 3.058 ( 1.133 1.185 3.205) 3.600 3.271 ( -1.323 17.274 -8.085) 19.118 3.750 ( -1.141 -3.595 -10.388) 11.051 3.832 ( -3.831 2.668 5.829) 7.468 3.877 ( 5.526 8.501 7.808) 12.797 4.432 ( 0.086 -5.581 -2.444) 6.093 4.877 ( 1.055 -0.214 -5.942) 6.039 4.899 ( 1.386 5.899 -9.154) 10.978 5.450 ( -2.274 -4.319 -14.181) 14.998 5.843 ( -1.618 -2.408 -11.059) 11.433 5.894 ( 1.182 -0.623 -7.324) 7.445 6.270 ( 2.406 -6.091 10.982) 12.786 6.583 ( -2.857 -4.382 5.728) 7.757 6.610 ( 3.041 -0.245 5.156) 5.991 7.021 ( -0.368 -10.154 -0.473) 10.172 7.157 ( 0.742 0.070 1.245) 1.451 7.458 ( 0.062 9.303 0.764) 9.335 7.650 ( 0.273 -21.309 3.641) 21.619 7.937 ( -3.157 1.560 -0.300) 3.534 7.981 ( 1.564 4.021 0.334) 4.327 8.688 ( 0.988 -1.683 -0.913) 2.155 8.710 ( 1.259 1.805 -1.586) 2.713 9.096 ( -0.159 3.196 1.572) 3.565 9.174 ( -0.402 -6.412 1.426) 6.581 9.624 ( 1.132 -1.268 0.481) 1.767 9.676 ( -0.260 0.609 -1.696) 1.821 10.037 ( 0.075 6.058 0.152) 6.061 10.166 ( -0.786 -3.521 -0.784) 3.692 10.246 ( -0.530 3.006 -1.139) 3.258 10.706 ( 1.418 -8.226 6.775) 10.750 10.781 ( -1.402 -4.089 2.630) 5.060 10.946 ( -0.289 4.291 -1.834) 4.675 11.213 ( 0.105 3.332 5.111) 6.102 11.723 ( -1.502 -1.204 -5.024) 5.380 11.777 ( 1.883 2.027 -3.761) 4.668 12.298 ( -1.714 2.505 -5.511) 6.292 ======================= Grid point 104 (47/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 5.252 3.556 18.177) 19.252 1.143 ( 4.785 11.794 14.139) 19.024 1.709 ( 1.278 7.505 6.420) 9.958 1.823 ( 5.719 8.704 16.573) 19.573 2.341 ( -3.385 -3.451 1.620) 5.098 2.554 ( 2.050 -0.638 3.486) 4.094 3.149 ( 4.504 3.032 4.849) 7.280 3.406 ( 5.885 11.754 -6.618) 14.717 3.627 ( -1.979 -4.572 -9.340) 10.585 3.856 ( -1.664 2.871 8.471) 9.097 4.068 ( 2.951 5.269 2.681) 6.608 4.354 ( -0.126 -1.963 -4.026) 4.481 4.770 ( -5.399 1.049 -5.822) 8.009 5.048 ( 8.043 6.428 -5.713) 11.775 5.247 ( -5.231 -6.100 -12.689) 15.020 5.710 ( -3.053 -4.960 -9.208) 10.896 5.879 ( 1.590 -1.094 -5.345) 5.682 6.291 ( -1.358 0.929 4.840) 5.112 6.477 ( -5.371 -6.047 3.662) 8.878 6.732 ( 5.434 -2.423 8.768) 10.596 6.952 ( 4.442 -8.564 -2.120) 9.877 7.157 ( -2.031 -1.963 0.989) 2.993 7.389 ( -7.090 -9.372 -5.565) 13.003 7.503 ( -8.154 2.453 5.844) 10.328 7.912 ( -1.461 1.397 -0.050) 2.022 8.062 ( 3.331 4.730 0.577) 5.814 8.640 ( -2.126 -1.661 -1.550) 3.112 8.788 ( 3.903 2.141 -0.707) 4.508 9.051 ( -3.198 -8.283 3.316) 9.478 9.184 ( 2.360 5.407 -0.721) 5.944 9.619 ( -0.001 -2.062 -2.558) 3.285 9.685 ( 0.610 0.697 1.877) 2.094 10.097 ( 3.211 -4.583 -1.069) 5.697 10.138 ( -0.668 4.284 0.197) 4.340 10.268 ( 0.897 3.902 -1.930) 4.444 10.649 ( -2.797 -5.228 1.396) 6.091 10.725 ( -5.282 -1.997 11.415) 12.735 10.997 ( 2.423 3.070 -1.458) 4.173 11.261 ( -0.667 -0.454 5.143) 5.206 11.707 ( 3.447 2.487 -6.267) 7.572 11.803 ( 1.270 3.186 -3.750) 5.082 12.251 ( -0.759 -1.579 -5.396) 5.674 ======================= Grid point 105 (48/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 4.208 2.799 16.650) 17.400 1.409 ( 6.694 10.886 9.536) 15.945 1.702 ( -1.732 -0.039 -3.621) 4.014 2.122 ( 2.471 7.146 12.327) 14.461 2.262 ( -2.665 -1.366 3.377) 4.514 2.596 ( 2.630 -1.541 1.661) 3.471 3.294 ( 5.067 5.127 4.592) 8.547 3.492 ( -1.694 -3.343 -5.630) 6.764 3.607 ( 9.354 5.777 -1.916) 11.159 3.923 ( 0.522 2.919 8.531) 9.032 4.010 ( -5.471 -4.122 -8.160) 10.654 4.433 ( 5.329 6.002 2.266) 8.340 4.666 ( -4.678 -0.044 -5.073) 6.901 4.992 ( -7.416 -2.860 -6.214) 10.089 5.243 ( 6.014 5.967 -4.586) 9.634 5.568 ( -3.265 -5.642 -4.222) 7.767 5.857 ( 1.552 -3.458 -3.207) 4.965 6.312 ( -0.321 0.597 0.428) 0.802 6.383 ( -2.118 1.543 -1.420) 2.981 6.809 ( 1.217 -4.189 8.290) 9.367 6.943 ( 3.388 -9.418 -3.373) 10.562 7.028 ( -6.130 -6.268 -0.328) 8.773 7.249 ( -3.161 1.167 -4.521) 5.639 7.396 ( -8.538 0.850 4.336) 9.614 7.914 ( -0.128 1.305 0.518) 1.410 8.163 ( 3.412 4.301 0.489) 5.512 8.578 ( -2.945 -1.477 -1.328) 3.552 8.801 ( -4.279 -1.939 2.967) 5.557 9.005 ( 4.641 -3.120 -1.956) 5.924 9.275 ( 4.140 3.425 -0.761) 5.427 9.577 ( -0.975 -1.618 -1.584) 2.466 9.707 ( -0.932 1.811 1.670) 2.634 10.056 ( -0.135 -5.015 -0.992) 5.114 10.195 ( 2.757 1.874 -0.944) 3.464 10.314 ( 0.783 5.309 -2.905) 6.102 10.563 ( -2.571 -5.236 2.154) 6.218 10.720 ( -3.479 -0.523 13.434) 13.887 11.024 ( -1.152 0.559 -1.060) 1.662 11.260 ( 0.634 -0.120 -0.420) 0.770 11.770 ( 3.320 1.128 -2.061) 4.067 11.857 ( 3.808 6.077 -3.479) 7.971 12.192 ( -0.500 -2.854 -4.242) 5.137 ======================= Grid point 106 (49/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -2.304 1.423 13.568) 13.836 1.626 ( 1.939 6.569 2.913) 7.443 1.662 ( 2.381 0.412 -1.390) 2.788 2.096 ( -5.862 -3.184 6.868) 9.574 2.324 ( 0.683 2.208 3.421) 4.128 2.610 ( 0.384 -1.276 -4.097) 4.308 3.378 ( -1.660 -1.941 -3.720) 4.513 3.462 ( 3.590 2.873 5.297) 7.014 3.815 ( 9.073 0.721 0.340) 9.108 3.833 ( -3.307 -1.750 -7.807) 8.657 4.016 ( 2.042 2.995 6.848) 7.749 4.530 ( -5.243 0.777 2.478) 5.850 4.605 ( 5.006 2.942 -4.996) 7.660 4.866 ( -3.679 -0.146 -1.637) 4.029 5.325 ( -0.560 5.618 -1.471) 5.834 5.480 ( -0.593 -3.613 0.722) 3.732 5.839 ( 2.792 -4.464 -2.706) 5.920 6.285 ( 0.537 -3.614 0.713) 3.723 6.441 ( 2.659 10.903 -7.564) 13.534 6.724 ( -6.308 -8.189 0.659) 10.358 6.865 ( -1.673 -2.993 0.620) 3.484 6.946 ( -1.231 -5.397 -1.179) 5.660 7.172 ( -5.300 4.553 -0.661) 7.018 7.385 ( 3.492 -3.142 5.313) 7.092 7.932 ( 0.486 1.053 0.577) 1.296 8.244 ( 1.569 3.556 0.875) 3.984 8.506 ( -2.935 -1.976 -1.093) 3.703 8.711 ( -5.346 -2.374 3.030) 6.587 9.045 ( 4.181 -2.011 -5.830) 7.451 9.360 ( 4.286 1.417 -0.985) 4.620 9.559 ( 0.258 0.398 -0.123) 0.489 9.706 ( -2.365 2.018 1.562) 3.479 10.001 ( -0.886 -2.858 -2.747) 4.062 10.241 ( 2.581 -0.555 0.512) 2.690 10.345 ( -0.680 4.980 -2.865) 5.786 10.512 ( -0.192 -4.749 3.331) 5.803 10.736 ( -3.160 -1.135 10.727) 11.241 10.968 ( -3.233 -0.575 -2.026) 3.859 11.288 ( 2.233 2.092 -2.476) 3.936 11.799 ( 1.384 0.251 -1.424) 2.002 11.976 ( 5.134 5.078 -0.414) 7.232 12.139 ( -0.536 -2.375 -2.567) 3.538 ======================= Grid point 107 (50/125) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -10.754 -2.459 5.915) 12.518 1.583 ( -8.584 -0.600 0.439) 8.617 1.763 ( 2.474 2.625 4.121) 5.477 2.091 ( 2.433 -1.556 9.070) 9.519 2.331 ( -1.027 -0.620 -0.355) 1.251 2.514 ( -5.671 -1.770 -9.124) 10.888 3.292 ( -4.113 -2.834 -0.194) 4.999 3.579 ( 5.589 1.193 -0.150) 5.717 3.720 ( -1.769 1.026 -4.456) 4.903 3.962 ( 5.065 -2.677 1.830) 6.014 4.109 ( 2.280 2.703 3.687) 5.109 4.440 ( -6.322 -0.196 2.330) 6.741 4.696 ( 4.244 2.954 -3.722) 6.371 4.856 ( 2.125 0.862 3.269) 3.993 5.330 ( -2.149 3.677 -0.852) 4.343 5.502 ( 3.162 0.737 3.339) 4.657 5.820 ( 1.961 -3.707 -4.165) 5.911 6.272 ( 0.792 -2.558 -1.564) 3.102 6.495 ( -1.667 0.018 -4.583) 4.877 6.623 ( 0.434 4.845 -2.964) 5.697 6.807 ( -5.882 -2.818 1.783) 6.761 6.868 ( 0.948 -0.902 -1.259) 1.816 7.220 ( 4.273 5.720 0.581) 7.164 7.448 ( 4.751 -6.542 6.978) 10.680 7.952 ( 0.567 0.716 0.366) 0.984 8.273 ( -2.694 2.057 1.741) 3.811 8.462 ( 1.282 -1.781 -0.910) 2.375 8.636 ( -4.208 -0.000 0.678) 4.262 9.021 ( 0.048 -2.964 -5.113) 5.910 9.410 ( 1.874 -0.317 -1.747) 2.582 9.582 ( 0.580 2.677 -0.608) 2.805 9.698 ( -1.050 1.072 1.212) 1.929 9.956 ( -0.049 -1.291 -2.484) 2.800 10.269 ( 0.258 -0.023 1.792) 1.811 10.364 ( 0.741 2.578 -1.457) 3.053 10.494 ( 0.238 -3.875 2.780) 4.775 10.691 ( -5.360 -2.666 3.176) 6.777 10.940 ( 0.187 1.154 0.756) 1.392 11.316 ( -0.063 1.886 -1.642) 2.502 11.807 ( 0.644 -0.175 -1.312) 1.472 12.065 ( 0.115 0.334 -0.014) 0.354 12.128 ( 3.871 1.439 -0.942) 4.236 ======================= Grid point 108 (51/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -13.972 -4.661 3.494) 15.138 1.370 ( -16.514 -2.544 4.161) 17.219 1.818 ( -2.055 -0.467 6.662) 6.988 2.140 ( -3.107 -4.345 1.518) 5.553 2.302 ( 0.719 -0.455 -4.141) 4.227 2.358 ( -4.684 1.385 -1.564) 5.128 3.202 ( -5.140 -1.311 1.324) 5.468 3.643 ( 5.359 -0.670 -6.468) 8.426 3.744 ( 2.043 2.460 2.464) 4.037 3.942 ( -2.452 -4.322 -2.906) 5.756 4.171 ( 1.868 0.917 0.682) 2.190 4.343 ( -8.523 -0.414 6.158) 10.523 4.770 ( 5.303 2.494 -3.539) 6.846 4.983 ( 8.626 1.076 5.153) 10.105 5.337 ( -0.782 3.715 -0.178) 3.800 5.591 ( 4.060 1.689 -1.276) 4.578 5.814 ( 4.251 -1.593 -2.758) 5.312 6.233 ( -0.988 -2.781 -1.070) 3.140 6.422 ( -3.224 -1.157 -0.122) 3.428 6.622 ( -5.433 -0.039 -1.381) 5.606 6.781 ( 2.971 8.085 -3.114) 9.159 6.933 ( 6.570 -0.462 0.493) 6.605 7.360 ( 4.906 5.834 -1.544) 7.777 7.493 ( 5.223 -8.412 7.180) 12.231 7.964 ( 0.305 0.055 0.023) 0.311 8.219 ( -5.550 -0.269 1.357) 5.720 8.506 ( 4.475 -0.536 1.977) 4.922 8.593 ( -1.721 1.857 -0.704) 2.628 8.954 ( -2.603 -1.884 -2.021) 3.796 9.388 ( -2.260 -1.031 -2.092) 3.247 9.608 ( -0.474 2.644 0.767) 2.793 9.711 ( 1.971 1.203 -3.467) 4.165 9.952 ( 1.711 -1.118 0.244) 2.059 10.264 ( -2.638 0.818 1.477) 3.132 10.393 ( 0.586 1.114 -0.631) 1.408 10.477 ( -0.132 -4.195 3.950) 5.764 10.598 ( -2.887 -1.418 -1.408) 3.511 10.978 ( 1.635 1.176 1.786) 2.692 11.294 ( -3.362 0.605 -0.554) 3.460 11.803 ( 0.104 -0.151 -1.323) 1.336 12.025 ( -3.160 -1.061 -0.345) 3.351 12.230 ( 6.263 1.813 -1.517) 6.694 ======================= Grid point 109 (52/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -14.086 -3.980 7.302) 16.358 1.105 ( -18.325 -2.741 10.078) 21.092 1.706 ( -17.616 -2.836 8.519) 19.773 1.940 ( -9.311 -3.856 -3.286) 10.600 2.307 ( 3.705 -0.341 -4.926) 6.173 2.405 ( 1.864 2.567 6.240) 7.001 3.128 ( -4.874 0.686 2.059) 5.335 3.673 ( 2.006 -1.265 -1.889) 3.032 3.802 ( -5.828 -1.110 -2.488) 6.433 3.817 ( 4.577 -1.064 -7.878) 9.173 4.153 ( -5.041 -1.357 -0.657) 5.262 4.300 ( -0.707 1.291 6.871) 7.027 4.855 ( 5.478 1.394 -4.807) 7.420 5.162 ( 8.482 0.312 1.461) 8.613 5.362 ( 0.266 3.158 -0.244) 3.179 5.631 ( 5.364 -1.816 -5.327) 7.775 5.891 ( 5.869 0.695 -2.344) 6.358 6.223 ( 1.207 0.183 3.596) 3.798 6.361 ( -5.985 1.061 4.113) 7.339 6.557 ( -1.032 0.793 0.422) 1.368 6.902 ( 4.046 8.796 -4.525) 10.687 7.042 ( 7.045 -1.011 1.382) 7.250 7.404 ( -0.868 -1.744 1.010) 2.194 7.552 ( 6.557 -4.022 -3.874) 8.613 7.958 ( -0.238 -1.266 -0.785) 1.508 8.129 ( -6.002 -0.330 1.269) 6.143 8.595 ( 2.509 0.741 6.034) 6.577 8.630 ( 5.451 0.763 2.563) 6.072 8.897 ( -3.053 1.192 0.461) 3.309 9.307 ( -4.948 -1.586 -1.310) 5.358 9.627 ( -0.764 2.511 1.552) 3.049 9.730 ( 2.751 1.197 -7.660) 8.226 9.992 ( 3.525 -0.909 2.913) 4.662 10.218 ( -4.288 0.075 0.261) 4.296 10.367 ( -4.106 0.397 -0.221) 4.131 10.462 ( -0.811 -2.834 6.237) 6.899 10.597 ( 4.703 -0.911 -1.905) 5.155 11.020 ( 1.170 0.761 0.998) 1.716 11.225 ( -5.054 -0.339 0.942) 5.152 11.796 ( -0.144 0.610 -1.584) 1.704 11.950 ( -4.407 -1.095 -1.263) 4.713 12.323 ( 5.735 0.529 -4.021) 7.024 ======================= Grid point 112 (53/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -8.643 6.076 17.060) 20.066 1.094 ( -0.819 7.988 16.650) 18.485 1.690 ( -2.638 9.228 14.340) 17.256 1.847 ( -4.224 7.060 6.747) 10.640 2.324 ( 3.654 -4.512 2.003) 6.142 2.569 ( -2.489 0.558 3.797) 4.574 3.101 ( -2.599 0.904 3.665) 4.583 3.465 ( -8.422 14.409 -6.291) 17.836 3.648 ( 1.010 -3.156 -10.706) 11.207 3.913 ( 3.430 6.466 9.107) 11.683 3.995 ( -4.674 2.760 5.742) 7.901 4.345 ( 1.126 -3.688 -3.719) 5.357 4.726 ( 6.399 -0.963 -7.385) 9.819 4.964 ( -4.125 -0.211 -4.828) 6.354 5.357 ( 1.462 1.461 -12.339) 12.511 5.751 ( 3.740 -1.899 -9.298) 10.201 5.844 ( -4.433 -3.362 -10.531) 11.911 6.210 ( 4.766 -3.241 7.841) 9.732 6.506 ( 6.310 -5.855 7.880) 11.670 6.677 ( -5.257 -5.757 5.715) 9.667 6.969 ( -3.245 -8.314 -0.149) 8.926 7.123 ( 2.728 -2.527 -1.037) 3.861 7.425 ( 5.277 -10.262 -1.790) 11.678 7.493 ( 7.399 5.227 4.874) 10.287 7.991 ( 2.193 6.172 -0.556) 6.574 8.031 ( -4.874 2.757 -0.171) 5.603 8.623 ( 2.835 -1.506 -0.968) 3.353 8.728 ( -2.524 -1.371 -0.838) 2.992 9.053 ( 2.199 -7.414 3.256) 8.391 9.214 ( -3.190 6.272 -1.005) 7.108 9.626 ( -1.481 -1.406 1.384) 2.467 9.648 ( 1.758 -1.459 -1.442) 2.702 10.091 ( 0.213 2.468 -0.218) 2.487 10.142 ( -2.224 -3.865 -2.389) 5.059 10.303 ( -2.010 6.245 -1.210) 6.671 10.642 ( 3.697 -5.513 10.012) 12.013 10.735 ( 4.188 -1.554 2.062) 4.920 10.991 ( -1.653 2.302 -1.458) 3.187 11.269 ( -0.125 0.743 5.618) 5.668 11.724 ( -2.900 -0.926 -3.938) 4.977 11.773 ( -1.156 5.755 -5.850) 8.287 12.306 ( -0.657 0.665 -5.705) 5.781 ======================= Grid point 113 (54/125) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.718 5.375 15.863) 16.764 1.267 ( 1.915 9.969 11.775) 15.547 1.776 ( -1.796 4.692 -2.964) 5.833 1.985 ( 2.182 10.912 21.257) 23.993 2.340 ( 0.871 -4.143 3.634) 5.579 2.556 ( -1.239 -0.708 2.931) 3.260 3.143 ( 2.423 2.753 5.009) 6.208 3.478 ( -2.599 12.794 -4.255) 13.732 3.563 ( -0.864 -2.969 -6.754) 7.428 3.973 ( -3.207 1.964 7.496) 8.386 4.079 ( 1.844 3.206 0.160) 3.702 4.312 ( 1.111 1.620 -2.510) 3.187 4.792 ( 2.608 -3.541 -3.484) 5.611 4.932 ( 4.983 7.199 -5.304) 10.236 5.244 ( -6.734 -1.398 -9.828) 11.996 5.640 ( -2.503 -3.569 -14.077) 14.736 5.799 ( 4.061 -0.450 -6.762) 7.901 6.301 ( 3.218 -2.285 6.146) 7.304 6.505 ( -3.148 -9.417 3.306) 10.465 6.649 ( 5.228 -4.720 8.899) 11.349 6.839 ( -1.938 -8.592 -1.040) 8.869 7.129 ( 1.620 -4.930 -0.748) 5.243 7.336 ( -1.864 -9.870 -1.302) 10.128 7.648 ( 0.583 6.649 2.878) 7.269 7.973 ( -4.419 2.345 -0.019) 5.003 8.081 ( 1.475 6.171 0.394) 6.357 8.622 ( 0.076 -3.663 -1.483) 3.952 8.727 ( 3.593 2.498 -2.036) 4.827 9.004 ( 0.077 -9.941 1.860) 10.114 9.230 ( -1.210 5.932 -1.081) 6.150 9.592 ( -0.746 -2.454 0.000) 2.564 9.669 ( 2.105 -0.941 1.681) 2.854 10.052 ( -1.948 -3.001 -1.929) 4.065 10.166 ( 3.001 3.472 0.255) 4.596 10.300 ( -2.548 4.435 -1.777) 5.414 10.652 ( -1.291 -4.430 3.677) 5.900 10.787 ( 1.615 -3.057 7.127) 7.921 10.999 ( 0.224 3.029 -0.300) 3.052 11.294 ( -0.915 -1.528 4.164) 4.529 11.675 ( -0.083 2.788 -4.493) 5.288 11.796 ( 0.767 6.003 -4.959) 7.824 12.243 ( -2.576 -1.091 -4.821) 5.574 ======================= Grid point 114 (55/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 4.101 3.934 13.991) 15.102 1.467 ( 4.534 10.140 7.871) 13.614 1.730 ( -3.785 0.931 -4.551) 5.992 2.240 ( 2.536 8.114 14.791) 17.060 2.307 ( -2.675 -3.125 3.078) 5.137 2.553 ( 0.917 -2.174 1.221) 2.656 3.264 ( 5.440 2.857 4.168) 7.425 3.463 ( -1.159 -2.655 -3.231) 4.340 3.595 ( 1.879 10.324 -0.346) 10.499 3.964 ( -2.253 -3.378 -2.847) 4.959 4.041 ( -3.618 2.480 1.315) 4.580 4.413 ( 4.825 6.709 0.349) 8.271 4.709 ( -4.207 -3.191 -3.281) 6.216 5.056 ( -7.103 -1.569 -3.589) 8.111 5.156 ( 10.481 9.164 -2.212) 14.097 5.499 ( -1.287 -3.888 -12.130) 12.803 5.814 ( 1.261 -0.917 -2.373) 2.839 6.298 ( -0.863 -7.388 1.288) 7.549 6.424 ( -1.779 2.490 -1.015) 3.224 6.740 ( 6.066 -11.054 8.557) 15.238 6.768 ( 3.486 -5.257 -2.310) 6.717 7.030 ( -3.982 -10.311 -1.083) 11.106 7.253 ( -0.916 -0.299 -1.835) 2.073 7.623 ( -11.052 4.575 1.573) 12.064 7.954 ( -1.343 2.195 1.051) 2.779 8.165 ( 2.136 5.439 0.706) 5.886 8.581 ( -0.493 -2.564 -1.236) 2.888 8.805 ( 3.829 1.714 -2.442) 4.854 8.911 ( -0.827 -9.128 1.549) 9.295 9.269 ( 0.841 4.288 -0.863) 4.454 9.562 ( -0.112 -1.850 -0.952) 2.083 9.714 ( 2.587 -0.248 2.558) 3.647 9.988 ( -0.340 -4.806 -1.534) 5.057 10.223 ( -0.923 4.484 -0.776) 4.643 10.316 ( 1.776 3.915 -2.532) 4.989 10.589 ( -3.732 -3.568 2.742) 5.846 10.812 ( -0.822 -3.676 10.880) 11.514 11.034 ( 0.316 1.551 -0.038) 1.584 11.254 ( -1.514 -1.445 -1.718) 2.708 11.720 ( 3.210 2.562 -1.518) 4.379 11.851 ( 2.023 7.365 -3.414) 8.366 12.169 ( -1.878 -1.417 -3.573) 4.278 ======================= Grid point 115 (56/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 3.799 3.129 13.157) 14.048 1.633 ( -3.589 -1.999 -5.104) 6.552 1.670 ( 4.890 9.401 4.154) 11.382 2.207 ( -6.946 -4.394 7.071) 10.843 2.366 ( -0.655 1.979 3.110) 3.744 2.557 ( 1.663 -1.293 -3.211) 3.841 3.356 ( 1.665 -0.262 -1.898) 2.538 3.445 ( 1.962 -1.338 4.659) 5.230 3.727 ( 4.649 2.770 0.929) 5.491 3.841 ( -3.561 2.255 -7.516) 8.618 4.074 ( -0.470 3.372 6.077) 6.966 4.530 ( 3.500 2.237 -5.291) 6.726 4.605 ( -2.679 -0.635 1.396) 3.087 4.937 ( -5.767 0.475 0.943) 5.863 5.373 ( 6.049 7.154 0.228) 9.372 5.404 ( 0.019 -0.515 -9.055) 9.069 5.796 ( -0.765 -3.597 4.064) 5.481 6.225 ( 1.047 -6.566 -1.510) 6.818 6.450 ( 1.319 7.389 -7.153) 10.368 6.702 ( -0.062 -10.257 1.042) 10.310 6.804 ( 3.618 -3.668 0.443) 5.171 6.884 ( -1.293 -8.094 -0.423) 8.207 7.251 ( 0.564 0.683 -0.413) 0.977 7.470 ( -11.827 2.355 3.072) 12.444 7.962 ( -1.200 2.031 1.565) 2.831 8.250 ( 2.439 4.372 0.561) 5.038 8.531 ( -2.816 -2.296 -0.666) 3.694 8.779 ( -4.256 -2.782 2.056) 5.484 8.905 ( 6.231 -3.208 -4.383) 8.266 9.321 ( 2.389 2.324 -0.494) 3.369 9.551 ( 0.597 0.062 -0.743) 0.955 9.761 ( 0.153 1.848 2.134) 2.827 9.937 ( 1.122 -5.657 -1.735) 6.022 10.231 ( -0.640 2.861 -1.705) 3.391 10.374 ( 1.846 4.139 -2.179) 5.028 10.516 ( -3.507 -3.291 3.500) 5.948 10.814 ( -2.106 -5.397 10.663) 12.135 11.000 ( -3.059 -0.665 -2.721) 4.148 11.261 ( 2.508 3.522 -2.739) 5.118 11.767 ( 1.940 0.436 -1.113) 2.279 11.955 ( 3.717 6.224 -0.086) 7.250 12.121 ( -0.918 -0.818 -2.306) 2.613 ======================= Grid point 116 (57/125) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -9.541 -1.753 2.923) 10.131 1.627 ( 4.329 0.427 4.104) 5.980 1.807 ( -0.071 6.203 0.992) 6.282 2.113 ( -3.085 -4.859 8.381) 10.167 2.334 ( -2.276 -2.024 -4.020) 5.044 2.525 ( -1.777 -0.195 -4.108) 4.480 3.338 ( -2.202 -0.477 1.678) 2.809 3.481 ( 3.248 -3.712 -1.959) 5.307 3.724 ( 0.003 1.020 -3.436) 3.584 3.909 ( 3.135 3.949 2.892) 5.813 4.131 ( 0.641 2.029 3.365) 3.981 4.484 ( -0.957 -2.372 -2.276) 3.424 4.658 ( 2.244 3.243 -0.459) 3.970 4.885 ( -2.591 -0.216 3.990) 4.763 5.374 ( 0.930 1.408 -7.214) 7.409 5.488 ( 0.963 8.239 0.213) 8.298 5.781 ( -0.743 -4.651 5.996) 7.624 6.197 ( 2.939 -4.483 -2.876) 6.084 6.482 ( 0.505 0.893 -5.714) 5.805 6.626 ( -0.076 0.491 -2.072) 2.131 6.796 ( 1.431 -5.368 1.044) 5.653 6.846 ( 1.100 -2.583 -1.339) 3.111 7.268 ( -0.576 4.435 -0.410) 4.491 7.378 ( -1.998 -3.674 5.617) 7.003 7.969 ( -0.909 1.269 1.430) 2.117 8.328 ( 1.511 4.284 1.311) 4.728 8.445 ( -3.370 -3.544 -0.711) 4.942 8.701 ( -4.268 -0.815 -0.552) 4.380 8.942 ( 4.059 -2.235 -2.345) 5.193 9.372 ( 2.128 0.959 -0.479) 2.383 9.572 ( 1.749 1.403 -1.262) 2.573 9.766 ( -3.426 2.931 1.305) 4.694 9.906 ( 2.072 -4.237 -1.591) 4.978 10.250 ( 2.028 0.665 -0.362) 2.165 10.412 ( -1.608 4.771 -0.500) 5.059 10.464 ( -0.592 -4.258 2.212) 4.834 10.749 ( -4.386 -5.596 2.702) 7.606 10.957 ( -0.731 0.302 0.477) 0.923 11.323 ( 1.603 3.827 -1.197) 4.318 11.785 ( 1.084 0.045 -1.043) 1.505 12.059 ( 3.083 3.465 0.753) 4.699 12.095 ( -0.235 -0.390 -1.277) 1.356 ======================= Grid point 117 (58/125) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -12.099 -3.560 1.088) 12.659 1.616 ( -11.701 0.409 5.604) 12.980 1.842 ( 2.243 -1.842 5.474) 6.196 2.122 ( 1.498 -0.546 -2.762) 3.189 2.246 ( -0.266 -2.865 -4.892) 5.675 2.473 ( -5.080 2.053 3.311) 6.402 3.301 ( -5.009 0.834 4.779) 6.973 3.492 ( 6.096 -2.296 -7.046) 9.596 3.743 ( 1.246 1.011 0.065) 1.606 3.952 ( -1.803 0.476 0.812) 2.034 4.153 ( 0.475 -0.585 -1.367) 1.561 4.452 ( -2.048 -1.863 3.723) 4.640 4.705 ( 2.305 2.385 -3.051) 4.506 4.912 ( 3.579 -0.921 4.866) 6.110 5.367 ( 1.060 2.066 -4.539) 5.099 5.571 ( -0.835 7.609 -3.218) 8.304 5.753 ( 0.927 -4.492 3.189) 5.586 6.199 ( 2.268 -1.917 0.245) 2.980 6.439 ( -1.299 0.058 -1.987) 2.374 6.656 ( 1.054 -1.996 -0.178) 2.264 6.805 ( 2.012 1.142 1.024) 2.530 6.841 ( 2.236 1.766 -3.018) 4.151 7.332 ( 2.870 6.030 -1.959) 6.960 7.370 ( 3.445 -8.912 4.917) 10.746 7.970 ( -0.749 0.265 0.634) 1.016 8.318 ( -5.777 -0.063 0.782) 5.830 8.442 ( 4.542 0.450 1.591) 4.834 8.627 ( -2.683 -0.719 -2.128) 3.499 8.967 ( 0.290 0.798 1.182) 1.456 9.389 ( -0.154 0.130 -1.300) 1.315 9.611 ( 2.472 1.387 -1.871) 3.396 9.732 ( -3.840 2.208 -0.258) 4.437 9.908 ( 2.251 -1.819 0.127) 2.897 10.299 ( 2.365 0.936 0.473) 2.587 10.389 ( -2.246 -1.791 2.486) 3.799 10.460 ( 0.785 0.340 0.213) 0.881 10.631 ( -4.886 -3.291 -2.216) 6.294 10.973 ( 1.226 -0.346 2.332) 2.658 11.348 ( -1.721 2.258 -0.423) 2.870 11.793 ( 0.464 0.279 -0.817) 0.981 12.061 ( -2.316 0.629 -1.241) 2.702 12.147 ( 4.519 0.550 -0.347) 4.565 ======================= Grid point 118 (59/125) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -12.140 -2.413 5.485) 13.538 1.418 ( -16.388 -0.954 9.043) 18.742 1.839 ( -2.174 -4.710 1.283) 5.344 2.080 ( -4.297 2.185 -4.895) 6.870 2.223 ( 0.290 -2.236 0.356) 2.283 2.469 ( -2.052 3.883 6.883) 8.165 3.255 ( -6.259 2.325 5.474) 8.634 3.554 ( 7.772 -0.303 -7.183) 10.587 3.747 ( -0.560 -2.056 -1.350) 2.523 3.894 ( -5.801 2.149 -0.656) 6.220 4.133 ( 1.429 -2.482 -4.668) 5.476 4.412 ( -5.132 -1.085 7.269) 8.964 4.751 ( 4.277 0.772 -4.986) 6.614 5.016 ( 8.011 -2.410 1.370) 8.477 5.400 ( 1.914 1.008 0.587) 2.241 5.522 ( -1.895 -1.210 -8.423) 8.718 5.812 ( 4.982 2.767 0.125) 5.701 6.230 ( 0.670 0.637 2.698) 2.852 6.455 ( -0.234 3.418 3.510) 4.904 6.598 ( -3.285 -2.453 2.094) 4.603 6.893 ( 5.354 3.979 -1.946) 6.948 6.918 ( 5.835 1.476 -0.906) 6.086 7.363 ( 3.567 -10.509 3.351) 11.593 7.401 ( 2.917 2.788 -7.352) 8.387 7.955 ( -1.024 -0.554 -0.752) 1.386 8.229 ( -5.558 -0.228 0.808) 5.621 8.548 ( 6.189 -0.119 4.442) 7.619 8.596 ( 0.634 -0.829 0.342) 1.099 8.981 ( -2.659 4.245 2.671) 5.677 9.356 ( -3.074 0.085 -1.351) 3.359 9.643 ( 2.473 -0.286 -3.319) 4.149 9.696 ( -2.352 1.824 -0.656) 3.048 9.949 ( 3.149 0.470 1.945) 3.731 10.283 ( -3.767 -0.766 -0.410) 3.866 10.411 ( 2.616 0.256 2.428) 3.579 10.473 ( -0.910 -0.762 2.841) 3.079 10.530 ( -1.502 -1.893 -2.763) 3.671 11.005 ( 1.815 -0.841 1.752) 2.659 11.308 ( -4.447 0.860 -0.034) 4.530 11.798 ( 0.047 1.048 -0.755) 1.292 12.006 ( -4.201 0.206 -1.735) 4.550 12.217 ( 5.117 -0.145 -2.731) 5.802 ======================= Grid point 121 (60/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 0.307 5.643 14.756) 15.801 1.294 ( -11.399 5.417 11.912) 17.355 1.772 ( 1.787 5.024 -0.316) 5.342 2.031 ( -3.215 2.289 4.958) 6.337 2.255 ( 2.288 -2.225 6.345) 7.102 2.627 ( -1.830 0.098 2.008) 2.718 3.196 ( -5.405 0.648 4.826) 7.275 3.530 ( 2.154 -2.032 -7.730) 8.278 3.716 ( -9.521 9.752 -4.106) 14.234 3.977 ( 3.164 6.772 5.278) 9.150 4.007 ( 2.075 -2.247 0.033) 3.058 4.378 ( -4.597 1.904 3.871) 6.304 4.596 ( 2.261 -2.479 -6.638) 7.438 4.926 ( 2.556 -3.251 -4.417) 6.051 5.332 ( 0.798 6.748 -4.357) 8.072 5.615 ( 5.645 -2.359 -2.411) 6.576 5.857 ( -9.342 -3.397 -12.241) 15.768 6.168 ( 1.260 -0.816 0.315) 1.534 6.406 ( 4.893 -4.764 7.267) 9.973 6.722 ( -4.552 -7.074 4.238) 9.420 6.871 ( 3.606 -11.301 -3.379) 12.334 7.044 ( 3.334 -3.026 -0.566) 4.538 7.316 ( 2.493 -0.352 -1.069) 2.735 7.437 ( 6.364 4.052 4.672) 8.874 7.996 ( 2.933 5.363 -1.805) 6.374 8.132 ( -4.237 2.566 0.942) 5.042 8.566 ( 2.395 -1.129 0.016) 2.648 8.726 ( 0.736 -4.158 1.150) 4.376 9.014 ( -3.314 -3.566 -1.020) 4.974 9.320 ( -4.037 5.353 -1.525) 6.876 9.590 ( 2.324 -2.115 -0.875) 3.262 9.654 ( -1.307 0.203 2.864) 3.155 10.045 ( 2.837 -2.339 -2.483) 4.437 10.164 ( -4.337 -1.828 -2.656) 5.404 10.379 ( 0.205 7.025 -1.068) 7.109 10.615 ( 1.130 -4.966 11.314) 12.408 10.665 ( 4.485 -0.911 2.039) 5.010 11.001 ( 0.911 -0.439 -1.016) 1.434 11.298 ( -0.049 1.535 1.992) 2.515 11.748 ( -3.190 -0.299 -2.734) 4.212 11.848 ( -4.097 6.300 -3.582) 8.324 12.268 ( 1.799 -0.110 -4.489) 4.837 ======================= Grid point 122 (61/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -7.536 5.168 12.735) 15.674 1.386 ( 1.020 7.059 10.440) 12.644 1.815 ( -0.878 4.252 -5.582) 7.071 2.099 ( 4.260 3.501 7.611) 9.399 2.320 ( 1.623 -1.652 10.197) 10.456 2.599 ( -2.479 -0.734 1.414) 2.947 3.188 ( -1.223 2.558 5.602) 6.278 3.483 ( 0.237 -3.164 -5.340) 6.211 3.665 ( -5.727 9.651 -2.171) 11.430 3.996 ( 1.197 -2.021 -4.230) 4.839 4.105 ( 0.316 4.669 4.227) 6.306 4.372 ( -3.142 6.928 3.097) 8.213 4.624 ( 8.263 -3.918 -3.343) 9.736 4.920 ( 1.545 1.127 -2.578) 3.210 5.340 ( -6.479 6.266 -2.706) 9.410 5.589 ( -5.955 -1.989 -15.026) 16.284 5.675 ( 5.165 -1.582 -5.292) 7.562 6.231 ( 5.096 -4.035 3.725) 7.492 6.442 ( 1.900 -6.563 3.217) 7.552 6.625 ( -1.653 -5.600 6.131) 8.467 6.781 ( -0.299 -11.489 -1.093) 11.545 7.051 ( 1.202 -3.796 -0.348) 3.996 7.293 ( -1.211 -3.550 0.121) 3.753 7.629 ( 8.672 4.773 1.381) 9.995 8.062 ( -1.351 2.089 -2.070) 3.237 8.123 ( -0.598 6.970 1.208) 7.099 8.575 ( 0.464 -3.134 -0.940) 3.305 8.711 ( 0.525 1.192 -0.391) 1.360 8.923 ( -0.699 -8.200 0.282) 8.235 9.304 ( -2.742 4.753 -1.477) 5.682 9.586 ( -0.285 -2.893 -0.104) 2.909 9.651 ( -0.393 -0.082 3.100) 3.126 10.035 ( -0.415 -4.377 -2.554) 5.085 10.136 ( 2.711 3.196 -0.584) 4.232 10.392 ( -3.905 5.315 -2.130) 6.930 10.650 ( 0.520 -4.086 6.849) 7.992 10.726 ( 4.855 -3.735 3.375) 6.994 11.017 ( 0.832 1.190 0.460) 1.523 11.309 ( -0.852 -0.887 1.146) 1.681 11.695 ( -1.900 1.777 -2.152) 3.376 11.847 ( -1.821 8.020 -3.602) 8.978 12.237 ( -1.231 -1.461 -4.419) 4.814 ======================= Grid point 123 (62/125) ======================= q-point: ( 0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.299 3.101 11.467) 11.950 1.534 ( 2.876 7.913 7.045) 10.978 1.766 ( -3.245 0.625 -5.802) 6.677 2.254 ( 6.364 1.596 0.718) 6.600 2.376 ( -1.442 0.060 11.872) 11.960 2.557 ( -2.234 -1.341 0.545) 2.662 3.251 ( 1.975 2.465 4.087) 5.165 3.438 ( 0.002 -2.476 -0.535) 2.533 3.676 ( -1.337 5.739 -0.779) 5.944 3.950 ( -2.164 1.409 -6.737) 7.215 4.135 ( -2.159 2.892 3.193) 4.819 4.428 ( 0.531 6.630 -0.037) 6.652 4.667 ( 2.501 -5.540 -2.189) 6.460 5.017 ( 7.880 2.163 1.790) 8.365 5.237 ( -9.363 6.147 0.557) 11.214 5.430 ( -1.731 0.465 -14.767) 14.875 5.747 ( 4.933 1.672 -2.954) 5.988 6.214 ( 0.706 -11.903 0.503) 11.935 6.457 ( 1.339 3.098 0.793) 3.467 6.620 ( 1.324 -9.804 6.673) 11.933 6.677 ( 1.354 -5.760 -0.516) 5.940 6.986 ( -2.625 -8.444 0.657) 8.866 7.253 ( -0.507 -0.416 -1.459) 1.600 7.764 ( 0.711 4.285 -0.136) 4.346 8.011 ( -3.878 1.791 -0.536) 4.305 8.197 ( 0.869 5.688 0.284) 5.761 8.539 ( 0.885 -3.321 -1.127) 3.617 8.746 ( 2.158 1.340 -2.852) 3.820 8.858 ( 0.207 -7.242 3.211) 7.925 9.303 ( -1.185 3.192 -0.898) 3.521 9.546 ( -0.846 -1.735 -0.594) 2.020 9.676 ( 2.067 -1.598 3.015) 3.989 9.968 ( -1.719 -3.077 -1.618) 3.878 10.229 ( 4.015 3.009 0.174) 5.020 10.354 ( -3.827 4.538 -3.585) 6.935 10.628 ( -2.217 -3.093 3.739) 5.335 10.789 ( 4.202 -4.877 5.613) 8.541 11.046 ( 0.414 0.499 1.658) 1.780 11.262 ( -2.523 -0.898 -2.691) 3.797 11.704 ( 1.015 2.498 -0.539) 2.750 11.891 ( 0.112 8.079 -1.934) 8.308 12.171 ( -2.031 -1.306 -3.293) 4.084 ======================= Grid point 124 (63/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 4.632 0.892 8.876) 10.051 1.653 ( -2.905 -1.232 -3.566) 4.762 1.713 ( 2.299 7.060 4.450) 8.656 2.278 ( -1.827 -3.169 0.638) 3.714 2.404 ( -2.218 -0.579 2.295) 3.244 2.520 ( -0.046 -0.755 -1.445) 1.631 3.311 ( 2.252 -0.111 -0.227) 2.266 3.440 ( 0.616 -1.891 4.534) 4.951 3.698 ( 1.057 -0.118 -0.351) 1.120 3.913 ( -3.088 8.612 -4.522) 10.205 4.146 ( -1.542 2.327 2.811) 3.962 4.486 ( 1.226 2.719 -3.678) 4.735 4.615 ( -0.498 -2.799 -0.450) 2.878 5.046 ( -4.471 -2.804 4.214) 6.754 5.263 ( 3.429 2.059 -3.908) 5.592 5.426 ( 3.486 11.577 -4.736) 12.985 5.800 ( 0.993 -1.197 3.761) 4.070 6.113 ( 1.360 -10.037 -2.963) 10.553 6.456 ( -1.834 -0.872 -2.423) 3.161 6.621 ( 3.438 1.019 -1.220) 3.788 6.698 ( 4.234 -6.055 3.184) 8.045 6.850 ( -3.487 -8.682 0.734) 9.385 7.244 ( -0.042 0.213 -0.862) 0.889 7.697 ( -10.896 2.599 -0.179) 11.203 8.004 ( -0.465 2.429 0.203) 2.481 8.258 ( 1.465 3.743 0.314) 4.032 8.531 ( 0.353 -2.226 0.208) 2.263 8.763 ( 4.495 -2.728 -3.822) 6.501 8.821 ( -2.387 -2.511 2.855) 4.489 9.317 ( 0.599 1.794 0.142) 1.897 9.535 ( 0.728 0.359 -1.314) 1.544 9.725 ( 4.509 -2.544 2.645) 5.814 9.909 ( -2.327 -1.397 -0.794) 2.828 10.273 ( -1.816 1.911 -1.050) 2.838 10.349 ( 2.013 3.254 -3.173) 4.971 10.582 ( -3.495 -0.954 3.171) 4.815 10.815 ( 0.929 -7.474 7.194) 10.415 11.020 ( -2.625 -1.198 -2.678) 3.937 11.247 ( 1.577 3.690 -1.924) 4.451 11.741 ( 1.466 1.007 -0.301) 1.804 11.970 ( 1.825 6.042 0.631) 6.343 12.124 ( -1.238 -0.022 -1.938) 2.300 ======================= Grid point 125 (64/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -4.764 -4.735 -4.372) 8.015 1.555 ( 6.475 -0.360 7.522) 9.932 1.860 ( 2.115 7.360 3.226) 8.309 2.180 ( -5.822 -5.432 2.892) 8.471 2.312 ( -3.358 -4.721 -6.911) 9.018 2.526 ( 0.876 1.799 -1.214) 2.340 3.325 ( 2.086 -1.759 -2.455) 3.671 3.442 ( -1.035 -2.587 4.420) 5.225 3.716 ( 0.625 1.838 -0.306) 1.966 3.956 ( -0.383 7.279 0.335) 7.297 4.156 ( -0.559 0.729 0.710) 1.161 4.453 ( -1.051 -1.904 -3.027) 3.727 4.642 ( 3.166 0.923 0.206) 3.305 4.964 ( -4.915 -3.001 4.254) 7.160 5.308 ( 2.622 4.989 -6.279) 8.438 5.571 ( 1.742 10.147 -0.678) 10.317 5.802 ( -1.844 -6.015 9.609) 11.485 6.065 ( 4.825 -5.440 -4.200) 8.397 6.435 ( 2.065 0.705 -3.524) 4.145 6.616 ( -1.773 -3.446 -3.779) 5.413 6.719 ( 2.661 -4.644 3.581) 6.440 6.805 ( 1.945 1.367 -0.632) 2.460 7.246 ( 1.355 -0.637 -0.474) 1.571 7.535 ( -11.324 1.400 1.423) 11.499 8.012 ( -1.544 2.011 0.560) 2.596 8.321 ( 2.913 2.273 -0.027) 3.695 8.481 ( -3.732 -2.613 0.522) 4.586 8.743 ( -3.546 -2.323 -2.732) 5.043 8.840 ( 6.280 0.038 1.507) 6.458 9.355 ( 1.668 1.641 0.513) 2.396 9.551 ( 1.218 1.077 -1.432) 2.167 9.791 ( 5.566 -4.143 0.916) 6.998 9.862 ( -3.571 2.058 0.818) 4.202 10.242 ( -1.250 0.475 -1.795) 2.238 10.397 ( 2.679 0.747 -1.923) 3.381 10.538 ( -4.750 1.735 2.808) 5.784 10.754 ( -2.418 -8.189 2.666) 8.945 10.969 ( -1.038 0.259 -1.902) 2.182 11.318 ( 2.799 3.507 -0.276) 4.496 11.765 ( 1.161 0.334 -0.251) 1.234 12.049 ( 2.131 1.833 1.995) 3.447 12.107 ( -0.939 2.101 -1.369) 2.678 ======================= Grid point 126 (65/125) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -7.909 -4.910 -1.693) 9.462 1.708 ( 7.997 -2.178 5.810) 10.122 1.867 ( -8.555 -0.378 2.619) 8.955 2.080 ( -2.210 -2.405 -7.936) 8.582 2.198 ( 0.819 -2.636 -1.763) 3.275 2.562 ( -0.217 2.949 3.141) 4.314 3.334 ( 4.522 -2.308 -4.532) 6.805 3.427 ( -3.431 0.906 5.823) 6.819 3.742 ( 0.261 2.138 0.086) 2.155 4.000 ( -1.042 3.079 0.475) 3.285 4.134 ( -1.200 -1.474 -3.225) 3.744 4.432 ( 1.881 -2.755 1.036) 3.493 4.697 ( 1.794 1.635 0.122) 2.430 4.904 ( -1.531 -2.705 2.925) 4.268 5.335 ( 0.017 3.676 -5.522) 6.633 5.675 ( -1.571 7.097 -0.276) 7.274 5.724 ( -1.386 -5.910 2.405) 6.530 6.128 ( 6.252 0.080 2.312) 6.666 6.450 ( -1.096 0.434 -2.273) 2.560 6.577 ( 4.583 -3.397 0.685) 5.746 6.744 ( 2.774 -1.659 0.935) 3.365 6.848 ( 0.471 3.390 -1.087) 3.592 7.276 ( 3.307 -1.248 -1.105) 3.703 7.403 ( -6.882 0.807 1.041) 7.007 8.000 ( -1.952 0.906 0.206) 2.162 8.359 ( -0.067 -4.533 0.084) 4.535 8.427 ( -0.626 4.196 0.332) 4.256 8.645 ( -3.456 -3.034 -1.523) 4.844 8.959 ( 4.733 3.372 1.880) 6.108 9.389 ( 0.449 1.323 -0.191) 1.410 9.574 ( 1.626 0.637 -1.297) 2.176 9.787 ( -0.592 -3.336 -1.600) 3.746 9.878 ( 0.287 2.920 3.187) 4.332 10.246 ( 2.764 -0.104 -0.695) 2.852 10.399 ( -0.611 -2.743 -1.933) 3.411 10.511 ( -3.053 3.690 3.119) 5.715 10.652 ( -3.247 -4.412 -1.865) 5.787 10.960 ( 0.489 -0.878 0.594) 1.167 11.372 ( 0.825 1.621 -0.147) 1.825 11.784 ( 0.890 0.533 -0.071) 1.040 12.079 ( 0.645 -1.368 0.493) 1.591 12.120 ( -0.311 3.292 -0.394) 3.330 ======================= Grid point 127 (66/125) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -8.091 -3.728 3.244) 9.480 1.695 ( -13.235 -1.586 6.682) 14.911 1.786 ( 2.240 -5.869 -0.371) 6.293 1.991 ( 4.001 -1.461 -9.744) 10.634 2.246 ( 1.642 1.590 2.823) 3.632 2.594 ( -2.600 3.588 5.089) 6.748 3.385 ( 7.227 -1.293 -5.554) 9.206 3.413 ( -5.352 3.227 6.794) 9.231 3.757 ( -0.980 1.012 1.783) 2.273 3.985 ( -1.965 1.939 -2.883) 3.991 4.065 ( -1.994 -1.951 -5.210) 5.910 4.452 ( 1.723 -3.921 4.459) 6.183 4.718 ( -0.798 2.314 -1.833) 3.058 4.904 ( 3.342 -3.146 0.076) 4.590 5.346 ( 2.082 0.928 -1.152) 2.554 5.531 ( -5.392 -8.458 -3.158) 10.515 5.812 ( 1.681 9.805 -1.358) 10.041 6.238 ( 2.051 1.858 2.327) 3.615 6.461 ( 4.925 1.421 3.453) 6.181 6.623 ( -0.737 -1.245 2.763) 3.119 6.788 ( 4.302 -1.132 -0.564) 4.484 6.888 ( 2.997 2.401 -0.873) 3.938 7.259 ( -0.832 -6.049 0.961) 6.181 7.372 ( 0.751 3.018 -4.947) 5.843 7.971 ( -1.878 0.142 -0.798) 2.046 8.290 ( -2.973 -2.870 0.667) 4.186 8.490 ( 3.152 1.776 -0.425) 3.643 8.586 ( -0.548 -2.123 2.310) 3.185 9.057 ( 1.246 5.440 1.399) 5.753 9.392 ( -1.295 1.591 -0.678) 2.161 9.589 ( 1.048 -0.640 -1.896) 2.259 9.732 ( -1.680 -2.631 -0.574) 3.174 9.937 ( 1.697 3.272 2.776) 4.614 10.297 ( 0.883 0.356 -3.866) 3.981 10.346 ( 2.078 -3.415 2.775) 4.866 10.526 ( -2.605 1.736 0.488) 3.168 10.556 ( -2.899 -0.957 0.472) 3.089 10.970 ( 1.622 -1.775 0.799) 2.533 11.366 ( -2.170 0.099 -0.580) 2.248 11.803 ( 0.507 1.133 -0.078) 1.243 12.061 ( -2.480 0.704 -1.103) 2.804 12.143 ( 1.989 0.139 -0.782) 2.142 ======================= Grid point 130 (67/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 4.535 1.049 12.680) 13.507 1.554 ( -7.212 5.232 5.390) 10.413 1.754 ( 3.857 1.769 -1.321) 4.444 2.047 ( -0.595 -0.965 2.382) 2.638 2.281 ( -0.392 -0.871 5.492) 5.575 2.626 ( 1.527 -1.472 -3.333) 3.951 3.330 ( -6.599 0.814 3.634) 7.577 3.436 ( 2.339 -2.448 -2.838) 4.418 3.785 ( 1.582 -3.010 -4.992) 6.040 3.997 ( -4.392 6.281 -3.479) 8.417 4.085 ( 0.091 7.541 7.105) 10.361 4.396 ( 2.744 -6.032 2.765) 7.180 4.603 ( -5.476 3.760 -4.343) 7.936 4.845 ( 1.896 -0.462 -1.182) 2.282 5.365 ( 1.927 6.512 0.585) 6.816 5.529 ( 3.435 -1.252 4.396) 5.718 5.916 ( -6.503 -1.291 -8.949) 11.137 6.161 ( -4.797 -2.171 -6.785) 8.588 6.360 ( 1.787 -1.302 5.470) 5.900 6.685 ( 4.010 -7.724 -4.418) 9.760 6.748 ( -3.349 -5.679 1.054) 6.677 6.943 ( 4.614 -2.311 -0.284) 5.168 7.248 ( 6.001 2.747 -1.438) 6.754 7.474 ( -2.468 0.873 6.755) 7.245 7.982 ( 1.962 2.651 -1.410) 3.587 8.214 ( -1.998 2.379 1.511) 3.455 8.535 ( 1.668 0.989 1.328) 2.350 8.652 ( 3.382 -5.039 1.469) 6.244 9.039 ( -4.204 -2.574 -5.960) 7.734 9.406 ( -2.717 2.693 -1.983) 4.309 9.541 ( 0.974 -0.631 -0.508) 1.267 9.705 ( -0.446 2.754 4.604) 5.384 9.960 ( 1.547 -3.591 -3.937) 5.549 10.202 ( -4.117 -1.297 -2.450) 4.963 10.398 ( 3.486 4.273 0.493) 5.537 10.608 ( 3.182 -0.228 1.914) 3.721 10.638 ( -1.172 -4.633 9.071) 10.253 10.953 ( 2.623 -1.052 -1.283) 3.104 11.327 ( -0.396 2.858 -1.047) 3.069 11.781 ( -2.480 0.004 -1.783) 3.054 11.960 ( -5.177 4.392 -0.420) 6.802 12.204 ( 2.987 -0.544 -2.787) 4.121 ======================= Grid point 131 (68/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 2.914 3.084 10.301) 11.140 1.505 ( -9.271 3.721 8.303) 12.990 1.817 ( 1.514 3.856 -5.253) 6.689 2.039 ( 3.527 -1.682 -1.144) 4.072 2.351 ( 2.569 -0.305 10.584) 10.895 2.610 ( 0.035 -1.321 -2.162) 2.533 3.285 ( -3.860 2.130 4.876) 6.573 3.422 ( 1.094 -2.947 -1.755) 3.600 3.744 ( -0.829 -1.285 -4.253) 4.519 3.982 ( -1.876 5.930 -4.044) 7.419 4.168 ( -0.320 3.790 2.627) 4.623 4.437 ( 6.249 -3.513 3.460) 7.960 4.540 ( -5.143 5.233 -2.397) 7.719 4.881 ( 2.816 0.558 0.593) 2.932 5.439 ( -0.374 5.886 -4.406) 7.361 5.571 ( 0.633 -4.403 -2.403) 5.056 5.693 ( -10.751 5.200 -2.368) 12.175 6.122 ( 3.403 -5.944 -1.007) 6.923 6.400 ( 1.408 0.010 2.311) 2.706 6.640 ( 2.199 -9.815 -1.376) 10.152 6.651 ( -2.988 -3.320 1.972) 4.882 6.987 ( 3.705 -2.858 -0.590) 4.717 7.305 ( -1.354 -1.384 0.624) 2.035 7.526 ( 7.017 1.282 1.533) 7.296 8.034 ( 3.005 1.443 -2.467) 4.147 8.225 ( -2.299 5.227 1.961) 6.037 8.544 ( -0.305 -3.119 -0.414) 3.161 8.694 ( 3.420 0.435 2.872) 4.487 8.900 ( -4.633 -4.781 -3.915) 7.723 9.375 ( -2.770 2.482 -1.805) 4.134 9.552 ( 1.117 -0.962 -0.485) 1.552 9.719 ( -3.784 1.495 4.513) 6.076 9.952 ( 3.471 -3.638 -2.940) 5.825 10.145 ( -1.014 1.794 -1.005) 2.293 10.470 ( -0.401 5.581 -2.958) 6.329 10.630 ( 2.487 -6.240 5.312) 8.564 10.644 ( 0.973 -3.210 4.366) 5.506 10.991 ( 3.069 -0.097 0.280) 3.084 11.330 ( -1.486 1.615 -1.345) 2.574 11.735 ( -2.398 1.258 -1.185) 2.956 11.939 ( -3.044 5.849 -0.656) 6.626 12.205 ( 0.578 -1.604 -3.440) 3.840 ======================= Grid point 132 (69/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -6.266 -0.598 7.104) 9.492 1.599 ( 2.325 5.527 8.711) 10.575 1.781 ( -3.162 0.691 -6.522) 7.281 2.136 ( 8.356 0.011 -1.914) 8.572 2.432 ( 1.402 -1.109 7.060) 7.283 2.577 ( -1.821 -1.122 -1.499) 2.612 3.289 ( -1.326 1.738 2.913) 3.642 3.414 ( 0.914 -1.922 2.159) 3.031 3.698 ( -0.700 -0.949 -2.692) 2.939 3.994 ( -1.302 6.683 -4.145) 7.972 4.182 ( -0.619 0.843 -0.276) 1.082 4.504 ( -1.279 2.816 -2.298) 3.853 4.547 ( 4.424 -0.456 3.546) 5.688 4.953 ( 4.045 0.910 3.219) 5.249 5.383 ( -3.476 -0.930 -12.903) 13.395 5.431 ( -5.848 3.560 -2.431) 7.265 5.744 ( -0.738 8.649 6.749) 10.996 6.084 ( 1.999 -11.399 -0.247) 11.576 6.456 ( 2.541 5.108 -0.975) 5.788 6.558 ( -0.506 -9.374 0.811) 9.422 6.633 ( 0.372 -1.804 4.503) 4.865 6.970 ( -1.889 -6.277 1.335) 6.690 7.251 ( -1.522 -0.890 -1.143) 2.101 7.692 ( 9.950 2.233 -1.482) 10.305 8.053 ( -0.115 0.047 -2.677) 2.679 8.254 ( -1.542 5.436 1.122) 5.761 8.496 ( -0.084 -3.317 -1.243) 3.544 8.732 ( -1.494 -0.911 -2.595) 3.130 8.823 ( 1.092 -1.908 4.336) 4.861 9.346 ( -2.042 1.325 -0.806) 2.564 9.545 ( -0.502 -0.567 -0.826) 1.120 9.685 ( -2.878 -0.906 3.237) 4.426 9.943 ( 0.826 -2.816 -0.993) 3.098 10.197 ( 3.392 3.746 0.015) 5.053 10.443 ( -4.847 3.801 -3.936) 7.310 10.636 ( 0.162 -3.475 2.011) 4.019 10.682 ( 5.922 -5.378 4.621) 9.238 11.037 ( 1.884 -0.323 1.087) 2.199 11.290 ( -3.045 0.788 -2.518) 4.029 11.723 ( -0.727 1.945 0.055) 2.077 11.959 ( -1.051 5.734 -0.093) 5.831 12.165 ( -0.968 -1.402 -2.954) 3.410 ======================= Grid point 133 (70/125) ======================= q-point: ( 0.56 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -0.129 -3.955 4.794) 6.217 1.666 ( -3.601 -2.098 -3.814) 5.650 1.761 ( 2.987 5.989 6.707) 9.475 2.215 ( 4.092 -1.166 -5.516) 6.966 2.452 ( -1.797 -2.126 2.898) 4.018 2.506 ( -1.903 -2.243 -4.102) 5.047 3.293 ( -0.375 -0.476 0.235) 0.650 3.434 ( 1.163 -1.958 4.210) 4.786 3.692 ( 0.569 1.340 1.134) 1.846 4.009 ( -1.767 6.790 -3.531) 7.855 4.175 ( -0.068 -0.019 -1.208) 1.210 4.506 ( -1.255 3.556 -0.279) 3.781 4.581 ( 0.589 -2.772 -0.642) 2.906 5.022 ( 2.324 -3.042 1.756) 4.212 5.294 ( -1.893 2.481 -2.286) 3.869 5.441 ( 3.147 8.490 -4.720) 10.211 5.830 ( -1.510 3.497 9.047) 9.816 5.997 ( 0.199 -8.225 -2.460) 8.587 6.462 ( -2.442 -5.338 1.627) 6.091 6.548 ( 4.519 2.644 -5.569) 7.643 6.679 ( 0.997 2.555 6.927) 7.450 6.839 ( -4.933 -9.119 1.258) 10.444 7.241 ( 0.287 0.854 -1.701) 1.925 7.801 ( 0.756 1.707 -2.927) 3.471 8.022 ( -0.652 0.887 -1.575) 1.921 8.278 ( -0.412 2.400 -0.119) 2.438 8.492 ( 2.116 -0.863 0.277) 2.302 8.679 ( 0.600 -2.652 -2.660) 3.804 8.852 ( -1.068 -0.597 3.921) 4.107 9.331 ( -0.594 0.517 0.818) 1.135 9.532 ( -0.429 1.427 -1.202) 1.915 9.663 ( 0.778 -3.272 2.208) 4.023 9.930 ( -0.499 -0.021 0.622) 0.798 10.276 ( 2.236 1.229 0.986) 2.736 10.375 ( -3.645 3.511 -5.688) 7.614 10.619 ( -0.479 -2.190 2.936) 3.694 10.740 ( 4.188 -5.811 2.980) 7.758 11.031 ( -1.756 -1.131 -1.983) 2.880 11.258 ( -0.436 2.531 -1.191) 2.831 11.738 ( 0.292 1.028 0.644) 1.248 12.003 ( 0.598 3.462 1.282) 3.740 12.132 ( -0.721 0.647 -1.681) 1.940 ======================= Grid point 134 (71/125) ======================= q-point: (-0.33 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 5.552 -6.654 1.302) 8.763 1.544 ( -3.437 -5.541 -3.645) 7.470 1.916 ( 2.990 7.036 6.801) 10.233 2.179 ( -0.923 -2.880 -8.962) 9.459 2.317 ( -7.121 -8.297 0.592) 10.949 2.502 ( 2.598 1.869 -4.514) 5.534 3.265 ( 0.122 -3.553 -2.126) 4.142 3.467 ( 0.675 0.022 6.216) 6.252 3.739 ( 0.446 3.606 1.993) 4.144 4.023 ( -0.841 3.967 -1.718) 4.404 4.163 ( -0.336 -0.273 -1.790) 1.842 4.472 ( -4.434 -0.508 -2.407) 5.071 4.583 ( 3.362 -0.968 0.787) 3.586 4.996 ( -1.740 -2.981 0.318) 3.466 5.339 ( 1.217 7.724 0.234) 7.823 5.573 ( 5.604 4.411 -0.773) 7.173 5.829 ( -3.248 -8.120 7.295) 11.389 5.968 ( 1.897 3.612 -0.347) 4.095 6.415 ( -0.303 -0.003 0.300) 0.427 6.557 ( 0.322 -4.199 -5.164) 6.663 6.705 ( -1.416 -3.925 4.514) 6.147 6.802 ( 2.500 6.245 1.205) 6.834 7.236 ( -0.611 0.426 -1.333) 1.527 7.709 ( -9.117 -0.029 -1.935) 9.320 8.044 ( 0.646 2.475 -1.228) 2.838 8.290 ( 1.351 -0.441 -0.943) 1.705 8.506 ( -0.935 -1.117 1.236) 1.910 8.697 ( 4.236 0.249 -3.534) 5.522 8.823 ( -2.104 -1.518 3.694) 4.514 9.351 ( 1.188 1.169 1.276) 2.099 9.544 ( 0.418 2.022 -0.852) 2.234 9.675 ( 3.787 -4.490 1.262) 6.008 9.936 ( -1.340 2.874 2.075) 3.790 10.264 ( -2.561 -1.490 -0.790) 3.066 10.361 ( 1.165 2.654 -4.034) 4.967 10.617 ( -1.022 0.807 2.005) 2.391 10.716 ( -0.970 -7.941 1.704) 8.179 10.978 ( -1.573 0.887 -3.416) 3.864 11.299 ( 2.488 1.945 0.135) 3.161 11.754 ( 0.653 0.106 0.908) 1.124 12.042 ( 1.141 -0.697 2.259) 2.625 12.140 ( -0.242 4.024 -0.695) 4.090 ======================= Grid point 135 (72/125) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -3.042 -7.548 -4.548) 9.322 1.519 ( 9.559 -8.594 0.239) 12.856 2.018 ( -4.291 3.041 6.455) 8.327 2.043 ( -3.482 -3.265 -13.881) 14.679 2.171 ( -1.286 -4.454 3.603) 5.871 2.554 ( 4.133 1.748 -2.373) 5.077 3.229 ( 2.067 -3.816 -2.794) 5.161 3.521 ( -1.041 2.864 7.623) 8.209 3.777 ( -0.698 4.175 -0.121) 4.234 4.021 ( -0.615 -1.367 -1.759) 2.311 4.138 ( -1.429 0.818 -2.083) 2.655 4.392 ( -0.710 -3.565 -1.066) 3.788 4.650 ( 4.410 -0.468 1.905) 4.827 4.938 ( -3.392 -0.936 0.833) 3.616 5.400 ( -3.434 6.724 -0.852) 7.598 5.660 ( 0.957 -8.084 1.840) 8.346 5.741 ( 0.732 3.752 -0.031) 3.823 6.074 ( 4.091 4.139 4.044) 7.087 6.447 ( -0.245 -0.851 -1.798) 2.004 6.489 ( 3.624 -1.828 1.006) 4.182 6.719 ( 1.295 0.508 2.491) 2.853 6.888 ( -0.522 5.848 0.288) 5.878 7.230 ( 0.925 1.033 -1.876) 2.332 7.542 ( -9.736 -1.170 -0.623) 9.826 8.045 ( -2.144 1.926 -1.337) 3.177 8.295 ( 2.169 -4.364 -0.569) 4.906 8.480 ( -1.994 2.119 -0.489) 2.950 8.670 ( -3.389 -2.576 -0.163) 4.260 8.897 ( 7.001 2.911 0.683) 7.613 9.390 ( 1.284 1.357 0.367) 1.904 9.566 ( 0.359 1.472 0.907) 1.766 9.700 ( 3.679 -4.770 -0.134) 6.026 9.959 ( -1.996 4.341 2.637) 5.457 10.219 ( -0.122 -1.148 0.077) 1.157 10.369 ( 0.292 0.452 -4.408) 4.441 10.606 ( -3.715 0.381 1.738) 4.119 10.629 ( -0.565 -4.741 -0.666) 4.820 10.957 ( -0.657 0.793 -1.604) 1.906 11.351 ( 2.513 -0.119 -0.003) 2.515 11.774 ( 1.051 0.136 0.939) 1.416 12.051 ( 0.891 -3.069 2.129) 3.840 12.174 ( -1.147 5.263 -0.463) 5.406 ======================= Grid point 136 (73/125) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -2.613 -7.557 -1.500) 8.135 1.592 ( 9.804 -10.488 -1.866) 14.477 1.862 ( -5.296 -5.751 -4.983) 9.271 1.962 ( -5.936 3.657 1.940) 7.236 2.230 ( 3.776 1.577 2.899) 5.015 2.618 ( 3.472 0.423 -1.628) 3.858 3.245 ( 5.320 -1.867 -2.712) 6.256 3.557 ( -3.918 3.746 6.763) 8.667 3.807 ( -0.267 4.631 0.880) 4.722 3.945 ( -1.705 -4.928 -5.777) 7.782 4.117 ( -2.450 2.657 -0.902) 3.725 4.380 ( 3.322 -5.357 1.876) 6.576 4.720 ( 3.154 -0.308 1.614) 3.556 4.885 ( -3.460 0.595 -0.094) 3.512 5.374 ( -3.287 2.333 0.518) 4.064 5.512 ( -5.373 -9.161 0.286) 10.625 5.867 ( 2.612 9.651 -3.656) 10.645 6.208 ( 5.906 2.667 2.331) 6.887 6.407 ( 1.708 -3.398 2.709) 4.670 6.615 ( 5.582 3.193 2.629) 6.947 6.760 ( 0.313 2.222 1.695) 2.812 6.887 ( -2.760 1.099 -0.344) 2.991 7.259 ( 0.350 2.084 -0.894) 2.294 7.394 ( -5.561 -1.184 -1.675) 5.927 8.006 ( -2.775 0.692 -1.685) 3.319 8.272 ( 0.837 -5.248 0.858) 5.383 8.482 ( -0.306 3.050 -2.301) 3.833 8.606 ( -2.315 -1.794 2.430) 3.805 9.033 ( 6.353 3.401 -2.369) 7.586 9.416 ( 0.244 1.812 -0.323) 1.856 9.588 ( -0.539 0.853 2.519) 2.714 9.691 ( 1.139 -4.911 -0.681) 5.087 9.981 ( -0.925 3.725 1.361) 4.072 10.255 ( 3.051 1.648 1.083) 3.633 10.322 ( -1.448 -2.292 -2.854) 3.936 10.550 ( -1.309 -2.771 -2.082) 3.705 10.602 ( -1.681 0.554 2.240) 2.855 10.949 ( -0.237 0.031 -0.385) 0.453 11.367 ( 0.695 -1.690 -0.616) 1.928 11.800 ( 1.093 0.762 0.481) 1.416 12.050 ( 1.407 -2.825 1.375) 3.442 12.180 ( -3.179 4.114 -0.804) 5.261 ======================= Grid point 139 (74/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 10.435 -2.212 9.571) 14.331 1.546 ( 10.721 -1.194 -3.345) 11.295 1.771 ( -3.557 1.019 4.407) 5.754 2.136 ( -5.254 3.019 6.338) 8.769 2.280 ( 0.612 -2.883 0.762) 3.044 2.505 ( 7.094 -2.779 -7.565) 10.736 3.302 ( 4.193 -2.563 -5.047) 7.044 3.525 ( -8.252 0.693 7.172) 10.956 3.717 ( 1.011 0.188 -2.981) 3.154 4.081 ( -2.441 0.890 -1.217) 2.869 4.131 ( 3.025 1.138 1.589) 3.602 4.333 ( 1.850 -1.545 2.327) 3.350 4.686 ( -3.899 2.554 -4.032) 6.163 4.865 ( -3.234 1.475 2.880) 4.575 5.392 ( 2.729 6.056 1.077) 6.729 5.541 ( -0.653 1.294 7.792) 7.925 5.889 ( 0.682 -2.829 -7.396) 7.948 6.188 ( -5.412 -4.027 -6.652) 9.474 6.403 ( -3.646 1.860 2.408) 4.749 6.553 ( 2.948 -3.622 -5.178) 6.973 6.743 ( -0.273 -1.207 -1.240) 1.752 6.907 ( -1.286 1.241 0.074) 1.789 7.208 ( -0.166 1.310 -0.299) 1.354 7.555 ( -2.621 -1.656 6.699) 7.382 7.975 ( 0.649 1.130 0.541) 1.411 8.247 ( 1.156 1.510 1.173) 2.234 8.540 ( 0.213 -1.182 0.019) 1.201 8.574 ( 2.917 0.477 2.899) 4.140 9.009 ( -0.581 -3.563 -7.549) 8.368 9.415 ( 0.529 -0.998 -1.617) 1.972 9.562 ( -2.034 2.861 -0.774) 3.595 9.736 ( 2.212 2.043 0.573) 3.065 9.922 ( -2.111 -1.729 0.269) 2.742 10.240 ( -3.080 -0.225 -2.690) 4.096 10.366 ( 2.934 0.339 0.081) 2.955 10.584 ( 1.816 0.497 3.533) 4.004 10.632 ( 2.437 -4.670 5.042) 7.292 10.922 ( -0.517 0.704 -0.930) 1.277 11.338 ( 1.315 2.080 -1.450) 2.857 11.801 ( -1.160 -0.167 -1.349) 1.787 12.074 ( -3.262 2.260 1.090) 4.115 12.145 ( 0.678 -0.134 -1.331) 1.500 ======================= Grid point 140 (75/125) ======================= q-point: ( 0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 7.570 -1.763 5.967) 9.799 1.692 ( -1.893 5.417 1.971) 6.067 1.746 ( 5.694 -1.579 3.445) 6.839 2.039 ( -6.987 -0.803 -3.288) 7.763 2.327 ( 4.387 -2.537 3.889) 6.388 2.556 ( 3.863 0.491 -2.348) 4.547 3.309 ( 2.550 -1.601 -3.484) 4.605 3.457 ( -5.772 0.339 7.025) 9.099 3.709 ( -0.165 0.228 -3.193) 3.205 4.045 ( -2.183 1.895 -2.326) 3.710 4.166 ( 2.232 -2.603 -1.136) 3.612 4.377 ( 1.665 1.801 3.123) 3.971 4.646 ( -3.096 4.145 -1.692) 5.444 4.866 ( 0.545 -0.113 3.697) 3.739 5.448 ( -0.765 2.249 -7.046) 7.436 5.570 ( -2.222 1.113 3.652) 4.417 5.832 ( 0.277 -3.189 2.054) 3.803 6.061 ( -3.748 0.330 -3.631) 5.229 6.425 ( -0.288 4.513 1.646) 4.812 6.529 ( 1.664 -3.331 -3.317) 4.986 6.695 ( -3.295 -1.834 1.644) 4.114 6.906 ( 1.836 -0.787 -2.024) 2.844 7.262 ( 5.080 0.592 -1.287) 5.274 7.499 ( -2.776 -4.655 3.489) 6.446 7.998 ( 1.187 0.255 -0.162) 1.224 8.294 ( 0.372 4.188 1.485) 4.459 8.503 ( 0.086 -5.462 -0.978) 5.549 8.676 ( 3.408 3.263 4.512) 6.529 8.905 ( -3.364 -2.712 -5.475) 6.974 9.401 ( -0.619 -0.214 -1.523) 1.658 9.554 ( -1.279 2.181 -1.170) 2.786 9.808 ( 2.424 2.402 1.882) 3.897 9.866 ( -2.310 -2.613 -0.095) 3.489 10.180 ( -2.389 1.221 -1.180) 2.931 10.436 ( 5.410 0.556 -1.712) 5.702 10.609 ( -1.199 -0.407 -0.429) 1.337 10.630 ( 0.275 -5.842 6.750) 8.931 10.943 ( 2.625 0.696 0.010) 2.716 11.358 ( -0.530 2.181 -1.553) 2.729 11.772 ( -1.689 0.663 -0.784) 1.976 12.040 ( -4.247 3.440 1.154) 5.586 12.154 ( 1.830 -1.693 -2.312) 3.400 ======================= Grid point 141 (76/125) ======================= q-point: ( 0.44 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -0.193 -5.518 -2.663) 6.130 1.695 ( -1.826 3.271 13.671) 14.175 1.835 ( -5.319 1.445 -2.673) 6.126 1.981 ( 8.461 -0.582 -3.704) 9.254 2.376 ( 4.515 -3.548 -1.249) 5.876 2.587 ( -0.580 0.842 -0.602) 1.186 3.320 ( 0.940 0.374 -0.308) 1.057 3.424 ( -2.588 -0.936 4.164) 4.991 3.691 ( -0.567 1.071 -1.287) 1.768 4.027 ( -0.379 1.809 -2.957) 3.487 4.157 ( 1.641 -3.475 -1.579) 4.155 4.453 ( 3.329 2.889 1.669) 4.713 4.626 ( -3.754 2.956 0.719) 4.831 4.923 ( 3.410 -0.219 4.470) 5.627 5.353 ( -2.619 -0.026 -10.754) 11.068 5.521 ( -6.245 2.511 -2.005) 7.023 5.869 ( 3.627 -7.354 8.924) 12.119 6.022 ( -4.079 6.504 0.809) 7.720 6.465 ( 0.747 2.992 -4.887) 5.778 6.514 ( -0.922 0.216 2.719) 2.879 6.665 ( -1.055 0.616 4.807) 4.960 6.917 ( 2.256 -3.942 -1.180) 4.693 7.277 ( -2.680 -1.457 0.039) 3.051 7.520 ( 9.571 -1.399 -1.808) 9.840 8.014 ( 1.660 -0.798 -1.458) 2.349 8.337 ( -1.835 4.269 1.475) 4.875 8.452 ( 0.912 -4.122 -1.316) 4.422 8.723 ( -0.599 -2.199 -3.361) 4.060 8.852 ( -1.153 2.884 4.319) 5.320 9.374 ( -1.453 -0.410 -0.597) 1.623 9.549 ( -0.530 1.423 -0.926) 1.778 9.772 ( -6.180 -0.820 1.626) 6.443 9.884 ( 3.566 -0.968 0.305) 3.707 10.194 ( 1.460 3.719 0.340) 4.009 10.515 ( 1.381 3.751 -4.321) 5.886 10.538 ( 0.362 -5.225 -1.143) 5.361 10.630 ( 0.744 -5.221 5.615) 7.703 11.000 ( 3.042 0.383 0.407) 3.093 11.337 ( -2.834 1.211 -1.381) 3.377 11.756 ( -1.282 1.253 0.172) 1.801 12.023 ( -2.151 2.576 0.949) 3.488 12.143 ( 0.450 -1.142 -2.057) 2.395 ======================= Grid point 142 (77/125) ======================= q-point: (-0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -2.091 -8.609 -1.911) 9.063 1.690 ( -6.185 -4.239 -4.525) 8.758 1.821 ( 2.077 4.502 12.288) 13.250 2.088 ( 6.470 -0.271 -6.542) 9.205 2.401 ( 3.975 -1.865 -4.484) 6.276 2.525 ( -4.879 -3.123 -2.635) 6.364 3.316 ( -2.853 -0.493 0.004) 2.895 3.417 ( 1.749 -1.202 3.303) 3.926 3.714 ( 0.686 3.093 2.239) 3.880 4.023 ( 0.900 -0.291 -3.551) 3.675 4.147 ( 1.371 -2.253 -0.676) 2.722 4.537 ( 2.022 3.147 -0.808) 3.827 4.585 ( -3.213 -0.147 1.792) 3.682 4.993 ( 2.173 0.827 1.532) 2.785 5.306 ( -0.457 2.232 -2.954) 3.730 5.443 ( -1.512 2.903 -3.544) 4.824 5.875 ( 2.171 -8.725 4.180) 9.915 6.048 ( -5.256 9.059 6.292) 12.218 6.444 ( -0.166 -1.209 -2.796) 3.051 6.529 ( -1.278 2.855 1.023) 3.291 6.733 ( 1.674 5.631 4.849) 7.617 6.847 ( -4.076 -7.848 1.079) 8.909 7.241 ( -0.561 1.488 -0.863) 1.809 7.680 ( 11.352 0.063 -4.025) 12.044 8.013 ( 0.539 -1.064 -2.187) 2.491 8.311 ( -2.650 -1.219 0.185) 2.923 8.469 ( 1.834 2.595 -0.499) 3.217 8.655 ( -1.452 -1.442 -3.542) 4.091 8.892 ( -1.030 0.733 4.782) 4.946 9.350 ( -0.969 -0.495 1.176) 1.602 9.554 ( -0.470 2.013 -0.204) 2.077 9.677 ( -4.391 -2.229 0.749) 4.981 9.926 ( 1.815 0.354 1.410) 2.325 10.266 ( 1.981 2.897 1.074) 3.670 10.429 ( -4.294 0.343 -5.014) 6.610 10.590 ( 3.331 -1.881 -0.216) 3.831 10.633 ( 3.575 -4.710 2.214) 6.314 11.029 ( 0.269 0.017 -1.448) 1.473 11.293 ( -2.536 0.924 -0.389) 2.727 11.754 ( -0.622 0.702 1.045) 1.404 12.023 ( -0.348 0.067 1.275) 1.324 12.139 ( 0.259 1.460 -0.696) 1.638 ======================= Grid point 143 (78/125) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 2.266 -10.802 -2.542) 11.326 1.516 ( -4.782 -8.405 -5.996) 11.378 1.969 ( 2.944 4.625 9.689) 11.132 2.086 ( 1.565 -3.906 -9.596) 10.478 2.355 ( -5.742 -8.186 -0.590) 10.017 2.433 ( 2.572 1.940 -7.865) 8.499 3.238 ( -2.449 -4.212 -1.667) 5.149 3.491 ( 2.385 2.530 6.945) 7.767 3.774 ( 1.070 3.192 2.046) 3.940 4.003 ( 1.480 -3.605 -3.330) 5.126 4.151 ( 0.614 -0.298 0.121) 0.693 4.481 ( -2.740 -4.982 -5.216) 7.716 4.609 ( -1.746 5.226 3.770) 6.677 5.017 ( -1.599 2.588 -0.139) 3.045 5.328 ( 4.311 1.240 0.286) 4.495 5.526 ( 5.161 4.532 1.682) 7.071 5.834 ( -1.727 -4.510 1.489) 5.054 6.079 ( -4.594 7.395 6.200) 10.688 6.428 ( -0.173 0.213 0.029) 0.276 6.517 ( -2.246 -1.502 -1.140) 2.932 6.708 ( -2.577 -4.408 0.490) 5.129 6.862 ( 1.378 8.292 4.467) 9.519 7.252 ( -0.630 2.115 -0.317) 2.230 7.761 ( 0.791 -1.100 -4.965) 5.147 8.015 ( 2.710 0.445 -1.659) 3.208 8.264 ( -0.495 -2.894 -1.300) 3.211 8.516 ( 0.351 1.890 1.351) 2.350 8.636 ( 1.867 2.644 -4.813) 5.800 8.874 ( -3.184 -2.313 4.329) 5.850 9.352 ( 0.423 -0.232 1.826) 1.889 9.568 ( -0.704 3.104 0.001) 3.183 9.620 ( -0.226 -3.205 1.822) 3.693 9.972 ( 1.346 2.320 1.763) 3.209 10.281 ( -1.909 -1.900 0.121) 2.696 10.365 ( -1.270 2.515 -4.514) 5.321 10.604 ( 1.522 -3.820 2.577) 4.853 10.660 ( 2.559 -2.144 -2.546) 4.198 10.999 ( -2.034 0.962 -2.842) 3.625 11.284 ( 0.549 0.161 0.078) 0.577 11.758 ( -0.188 -0.241 1.830) 1.855 12.024 ( 0.640 -2.554 1.928) 3.263 12.175 ( 0.791 4.324 0.586) 4.435 ======================= Grid point 144 (79/125) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 6.446 -11.731 -5.375) 14.424 1.329 ( -1.095 -12.154 -6.473) 13.814 1.965 ( -1.444 -6.056 -11.790) 13.333 2.107 ( 3.099 0.846 10.329) 10.817 2.193 ( -5.942 -5.417 0.699) 8.071 2.463 ( 4.364 1.866 -7.816) 9.144 3.167 ( -0.140 -4.384 -1.079) 4.517 3.601 ( 1.136 4.710 8.738) 9.991 3.815 ( 0.177 3.208 -1.880) 3.723 3.971 ( 1.515 -6.270 -0.996) 6.527 4.152 ( -0.636 -0.128 0.379) 0.752 4.349 ( -1.846 -6.154 -6.658) 9.253 4.652 ( -1.154 3.966 5.497) 6.876 5.002 ( -3.126 2.340 1.512) 4.187 5.451 ( 5.213 4.065 -2.164) 6.955 5.617 ( 0.135 0.073 5.609) 5.611 5.777 ( -2.528 1.317 0.586) 2.910 6.118 ( -1.249 5.283 3.556) 6.490 6.413 ( -1.055 -6.082 -1.265) 6.301 6.461 ( 0.999 2.257 1.048) 2.681 6.724 ( 2.288 3.772 1.831) 4.776 6.965 ( -0.448 7.169 2.110) 7.486 7.251 ( -1.829 2.789 0.515) 3.374 7.655 ( -7.245 -2.604 -2.884) 8.221 8.059 ( 1.748 1.472 -2.845) 3.649 8.221 ( 0.658 -5.066 -1.084) 5.222 8.524 ( -1.461 2.119 -0.284) 2.589 8.677 ( 1.126 1.803 -3.893) 4.436 8.845 ( 0.909 -0.722 3.238) 3.440 9.372 ( 1.672 -0.830 0.584) 1.956 9.593 ( 0.399 2.641 0.910) 2.822 9.624 ( 1.473 -2.463 3.152) 4.263 10.024 ( 0.186 3.708 0.831) 3.804 10.217 ( -1.542 -2.881 0.476) 3.302 10.356 ( -0.346 2.059 -4.154) 4.649 10.573 ( -0.474 -6.607 -0.362) 6.634 10.655 ( -0.535 1.177 -1.587) 2.047 10.975 ( -1.036 2.081 -1.895) 2.999 11.300 ( 2.309 -1.788 -0.391) 2.946 11.768 ( 0.501 -0.406 2.091) 2.189 12.017 ( 0.855 -4.176 2.084) 4.745 12.236 ( -0.003 5.874 0.816) 5.930 ======================= Grid point 145 (80/125) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 1.059 -11.703 -8.510) 14.508 1.286 ( 12.101 -13.758 -2.758) 18.529 1.829 ( -1.442 -6.383 -5.438) 8.508 2.087 ( -3.273 -2.438 1.530) 4.359 2.204 ( 2.133 0.509 6.379) 6.745 2.507 ( 5.281 -0.035 -7.710) 9.345 3.152 ( 2.938 -2.496 -0.478) 3.884 3.689 ( -2.617 5.264 7.634) 9.635 3.820 ( 0.400 2.066 -7.190) 7.492 3.915 ( -0.731 -5.059 1.006) 5.209 4.142 ( 0.155 -2.119 2.647) 3.394 4.276 ( 2.701 -4.783 -3.536) 6.532 4.710 ( 0.202 2.834 6.022) 6.659 4.980 ( -4.384 3.584 1.612) 5.887 5.444 ( -4.486 0.523 -4.006) 6.037 5.586 ( -6.956 -2.615 7.566) 10.605 5.858 ( 5.343 9.085 -3.402) 11.075 6.165 ( 2.104 2.241 -0.075) 3.075 6.364 ( 1.402 -6.163 3.620) 7.284 6.554 ( 5.840 3.687 -0.558) 6.928 6.817 ( 0.411 6.342 3.606) 7.308 6.977 ( -4.973 3.404 -0.615) 6.057 7.278 ( 0.642 4.933 1.598) 5.225 7.490 ( -8.662 -2.875 -0.139) 9.128 8.042 ( -2.342 0.625 -3.629) 4.364 8.195 ( 2.562 -5.803 0.662) 6.378 8.518 ( -1.578 3.345 -1.941) 4.177 8.642 ( -2.776 -1.109 -0.121) 2.991 8.927 ( 6.638 1.380 -2.358) 7.178 9.395 ( 2.526 -1.293 -0.588) 2.898 9.625 ( 0.863 -0.609 0.030) 1.056 9.646 ( -0.304 0.677 5.750) 5.797 10.030 ( -1.858 2.305 -2.417) 3.822 10.234 ( 3.476 0.137 4.186) 5.443 10.322 ( -2.545 0.823 -4.936) 5.614 10.506 ( 0.437 -5.404 -0.965) 5.507 10.636 ( -1.857 0.317 -1.084) 2.173 10.971 ( -1.219 2.160 -0.645) 2.563 11.312 ( 2.464 -3.447 -0.684) 4.292 11.791 ( 1.134 0.286 1.287) 1.739 12.005 ( 1.383 -4.225 1.870) 4.823 12.272 ( -2.761 5.473 0.085) 6.131 ======================= Grid point 148 (81/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 14.145 -3.250 8.635) 16.888 1.287 ( 15.776 -4.409 -1.541) 16.453 1.822 ( 2.189 -1.101 4.608) 5.219 2.201 ( 6.163 -7.044 -0.435) 9.370 2.285 ( -5.661 0.874 -1.538) 5.931 2.325 ( 6.286 3.700 -0.092) 7.294 3.183 ( 4.441 -2.425 -2.993) 5.879 3.700 ( -7.835 1.374 4.328) 9.055 3.722 ( -0.453 2.831 -0.168) 2.872 4.004 ( 5.463 -4.296 -1.781) 7.174 4.158 ( -2.614 0.923 0.813) 2.889 4.266 ( 6.986 -1.697 0.948) 7.251 4.747 ( -5.110 1.738 -5.043) 7.387 4.987 ( -7.504 0.951 2.803) 8.067 5.406 ( 1.920 4.188 2.328) 5.162 5.643 ( -2.295 4.330 6.050) 7.785 5.819 ( -3.052 -3.926 -7.195) 8.746 6.180 ( -2.027 -2.911 -3.078) 4.696 6.436 ( 5.771 -1.089 -3.539) 6.857 6.480 ( -2.434 -0.123 -1.127) 2.685 6.767 ( -3.363 5.317 -3.703) 7.300 6.982 ( -4.990 1.606 0.497) 5.266 7.270 ( -5.943 0.290 -0.600) 5.981 7.596 ( -1.773 -3.848 4.406) 6.113 7.992 ( -0.026 1.074 3.720) 3.872 8.212 ( 4.556 -0.355 0.098) 4.570 8.512 ( -1.248 -2.109 0.536) 2.508 8.608 ( 0.142 4.054 3.524) 5.373 8.925 ( 1.781 -3.089 -6.013) 6.991 9.379 ( 2.323 -0.541 -0.232) 2.396 9.609 ( -0.442 2.376 -1.194) 2.695 9.707 ( -0.563 0.183 -4.840) 4.876 9.977 ( -2.422 0.580 4.980) 5.568 10.243 ( 1.453 0.506 -2.554) 2.982 10.335 ( -0.871 -1.830 -1.023) 2.271 10.549 ( 5.038 -3.827 2.351) 6.749 10.603 ( -0.203 1.282 4.423) 4.609 10.958 ( -2.622 0.889 -0.079) 2.769 11.303 ( 3.821 0.526 -0.589) 3.901 11.800 ( -0.168 -0.207 -1.543) 1.566 12.040 ( 4.208 -1.197 -0.397) 4.393 12.238 ( -6.694 2.543 0.578) 7.184 ======================= Grid point 149 (82/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 10.372 -4.398 4.589) 12.164 1.528 ( 15.924 2.414 -0.837) 16.128 1.831 ( -3.079 -1.719 7.858) 8.613 2.121 ( -5.764 -4.510 -4.591) 8.639 2.239 ( 2.353 -1.233 -3.155) 4.125 2.499 ( 6.115 4.665 3.605) 8.494 3.220 ( 4.245 -1.138 -1.849) 4.768 3.598 ( -7.222 0.724 1.246) 7.365 3.736 ( -2.130 2.621 1.597) 3.736 4.017 ( 2.718 -5.100 -0.635) 5.814 4.130 ( -1.523 -0.178 -1.031) 1.848 4.370 ( 4.681 1.395 1.088) 5.004 4.693 ( -0.920 2.872 -3.030) 4.275 4.908 ( -4.040 -1.396 3.315) 5.409 5.438 ( -1.066 -0.854 -3.144) 3.428 5.684 ( -4.232 5.890 5.556) 9.136 5.711 ( 3.233 -8.420 -4.089) 9.903 6.127 ( -1.909 3.180 -1.777) 4.113 6.456 ( 0.896 -1.438 -2.002) 2.623 6.503 ( 1.281 6.182 -0.633) 6.345 6.741 ( -2.802 2.327 -1.585) 3.972 6.914 ( -3.701 0.068 -1.235) 3.902 7.217 ( -0.464 1.198 -0.628) 1.430 7.516 ( -3.456 -7.529 2.459) 8.641 8.004 ( -1.121 -0.481 2.697) 2.960 8.290 ( 4.602 1.316 0.117) 4.788 8.468 ( -2.012 -2.749 0.551) 3.451 8.672 ( 1.975 0.169 1.501) 2.487 8.903 ( 0.086 2.201 -1.999) 2.975 9.398 ( 0.037 0.529 -0.426) 0.681 9.597 ( -2.293 2.190 -2.048) 3.774 9.721 ( 4.998 -0.621 -2.540) 5.641 9.954 ( -4.306 0.558 3.651) 5.673 10.224 ( -2.350 1.548 -1.832) 3.358 10.343 ( 3.910 -1.504 -0.546) 4.224 10.587 ( 2.683 -4.514 3.540) 6.333 10.625 ( -0.493 0.110 0.319) 0.597 10.936 ( -0.671 0.801 0.446) 1.136 11.357 ( 2.046 1.236 -0.643) 2.476 11.789 ( -0.465 0.479 -0.837) 1.071 12.084 ( 3.192 -1.093 -1.231) 3.591 12.158 ( -6.094 1.503 1.022) 6.359 ======================= Grid point 150 (83/125) ======================= q-point: ( 0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 4.360 -6.504 -3.219) 8.466 1.779 ( 12.286 1.200 0.455) 12.353 1.829 ( -2.133 1.314 11.436) 11.707 1.940 ( -7.506 -5.841 -4.701) 10.609 2.258 ( 3.769 -0.679 -4.500) 5.909 2.602 ( 0.596 2.742 -0.101) 2.807 3.281 ( 4.040 1.212 0.807) 4.295 3.500 ( -5.687 -0.776 -0.891) 5.809 3.730 ( -2.172 2.914 0.858) 3.734 4.006 ( 1.213 -3.623 0.229) 3.828 4.095 ( -0.148 -2.724 -0.622) 2.798 4.448 ( 3.025 2.995 -0.227) 4.263 4.698 ( -2.254 1.843 0.039) 2.912 4.893 ( 1.939 -1.648 3.562) 4.378 5.349 ( -3.108 -0.002 -6.648) 7.338 5.668 ( -7.494 2.720 0.829) 8.016 5.707 ( 6.615 -8.411 3.173) 11.161 6.155 ( -1.102 7.152 0.574) 7.259 6.446 ( 0.274 0.192 -2.191) 2.216 6.583 ( 0.670 6.698 0.161) 6.733 6.719 ( -1.410 1.886 2.494) 3.430 6.867 ( -0.979 -0.473 -2.037) 2.309 7.265 ( 4.051 1.667 -0.280) 4.390 7.408 ( -1.463 -6.858 0.639) 7.041 7.991 ( -0.396 -1.365 0.791) 1.626 8.371 ( 4.344 -0.964 -1.152) 4.596 8.412 ( -3.054 0.337 1.725) 3.524 8.671 ( 1.169 -3.265 -3.538) 4.954 8.943 ( -1.698 5.997 3.264) 7.036 9.388 ( -1.189 -0.026 -0.081) 1.192 9.573 ( -1.233 1.353 -1.192) 2.184 9.780 ( 3.433 -2.432 -0.672) 4.261 9.903 ( -4.170 2.003 1.072) 4.749 10.219 ( -0.135 3.016 0.992) 3.178 10.398 ( 5.360 -2.124 -1.319) 5.915 10.571 ( -2.627 -2.251 -1.118) 3.636 10.604 ( 0.071 -2.373 1.146) 2.636 10.962 ( 2.359 0.667 0.445) 2.491 11.373 ( -0.851 0.494 -0.161) 0.997 11.783 ( -0.858 0.953 -0.037) 1.282 12.086 ( -2.914 -0.962 0.068) 3.070 12.113 ( 0.667 0.787 -0.034) 1.033 ======================= Grid point 151 (84/125) ======================= q-point: (-0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -0.888 -9.785 -5.796) 11.407 1.720 ( -7.709 -8.383 -5.626) 12.703 1.891 ( 2.999 -4.781 14.397) 15.464 1.959 ( 5.416 6.743 -5.070) 10.025 2.289 ( 3.941 -0.617 -4.990) 6.388 2.558 ( -4.665 -1.517 -4.455) 6.626 3.364 ( -2.110 1.359 0.153) 2.515 3.400 ( 0.505 -0.877 1.057) 1.464 3.743 ( 0.110 2.262 0.808) 2.404 3.976 ( -0.524 -3.396 -2.085) 4.019 4.095 ( 2.582 -2.966 3.582) 5.320 4.518 ( 2.383 2.066 -3.060) 4.395 4.653 ( -3.370 0.170 2.843) 4.412 4.958 ( 4.140 1.160 1.013) 4.417 5.326 ( 0.682 4.603 -1.933) 5.038 5.533 ( -8.817 -1.493 0.561) 8.960 5.767 ( 5.204 -3.616 2.276) 6.733 6.195 ( -1.752 4.465 2.168) 5.264 6.440 ( -0.822 2.612 -3.481) 4.429 6.623 ( -2.314 2.949 3.449) 5.094 6.785 ( 1.475 6.070 3.318) 7.074 6.827 ( -1.241 -2.640 -1.122) 3.125 7.288 ( -2.696 1.880 2.401) 4.070 7.450 ( 12.213 -2.379 -3.798) 13.009 7.980 ( 0.511 -1.582 -0.472) 1.728 8.325 ( -2.242 -4.876 -0.090) 5.367 8.469 ( 2.393 5.444 -0.599) 5.977 8.635 ( 0.124 -1.491 -3.796) 4.081 8.962 ( -3.241 2.561 2.612) 4.888 9.367 ( -1.168 -0.685 1.126) 1.762 9.577 ( 0.046 1.527 1.288) 1.999 9.737 ( -4.244 -2.073 -1.006) 4.829 9.911 ( 1.363 1.809 0.800) 2.403 10.275 ( 1.487 2.944 2.060) 3.889 10.432 ( 1.265 -3.413 -2.256) 4.282 10.512 ( 0.807 1.162 -3.964) 4.208 10.583 ( 0.150 -4.429 1.770) 4.771 11.006 ( 2.030 0.688 -1.068) 2.395 11.341 ( -2.893 -0.645 0.469) 3.001 11.779 ( -0.951 0.679 0.740) 1.383 12.038 ( -1.857 -1.804 1.183) 2.847 12.141 ( 1.286 1.909 0.474) 2.350 ======================= Grid point 152 (85/125) ======================= q-point: (-0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -1.167 -12.375 -6.374) 13.969 1.477 ( -6.649 -11.838 -7.436) 15.480 1.954 ( 3.952 -6.418 -0.768) 7.576 2.025 ( -0.535 2.093 2.910) 3.625 2.293 ( 1.945 -4.525 -3.826) 6.237 2.432 ( -4.083 0.444 -5.526) 6.885 3.242 ( -4.485 -4.490 -3.043) 7.038 3.520 ( 3.564 5.014 7.387) 9.613 3.776 ( 1.731 0.394 0.696) 1.907 3.916 ( 0.375 -6.217 -2.116) 6.577 4.142 ( 1.708 0.025 3.704) 4.079 4.454 ( -3.533 -5.428 -5.856) 8.731 4.696 ( 0.544 5.888 4.154) 7.227 5.052 ( 3.246 5.686 -1.112) 6.641 5.331 ( -4.363 0.591 1.129) 4.545 5.502 ( 4.308 3.836 3.771) 6.892 5.818 ( 1.944 0.157 0.584) 2.036 6.211 ( -1.749 2.698 1.953) 3.762 6.428 ( -0.770 1.228 -2.522) 2.909 6.590 ( -5.462 -1.942 2.937) 6.498 6.744 ( -4.657 1.900 0.963) 5.121 6.921 ( 3.388 7.262 2.198) 8.310 7.302 ( -1.450 3.761 3.813) 5.549 7.607 ( 11.482 -1.791 -5.715) 12.950 7.975 ( 1.104 -1.099 -0.726) 1.718 8.240 ( -2.123 -4.984 -0.991) 5.508 8.547 ( 0.941 4.823 0.146) 4.916 8.615 ( 0.708 2.627 -5.706) 6.321 8.925 ( -3.286 -1.611 2.285) 4.314 9.353 ( -0.373 -1.843 1.900) 2.673 9.611 ( -0.016 2.771 2.811) 3.947 9.644 ( -4.225 -1.266 0.058) 4.411 9.963 ( 2.525 1.970 0.420) 3.230 10.291 ( -1.476 -2.060 -0.607) 2.606 10.387 ( -1.895 0.692 -1.343) 2.423 10.558 ( 0.956 -4.159 0.535) 4.301 10.564 ( 5.449 0.589 -3.555) 6.533 11.016 ( -0.515 1.013 -2.169) 2.449 11.289 ( -2.039 -1.792 0.152) 2.719 11.775 ( -0.753 -0.031 1.784) 1.937 12.005 ( -0.548 -3.347 1.737) 3.810 12.200 ( 1.769 4.027 2.031) 4.844 ======================= Grid point 153 (86/125) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 3.197 -14.370 -7.674) 16.601 1.212 ( -5.086 -14.955 -9.418) 18.391 1.842 ( -1.137 -11.358 -10.351) 15.409 2.039 ( 3.291 -11.113 5.604) 12.874 2.260 ( -2.265 1.908 2.434) 3.834 2.404 ( 0.951 3.818 -6.696) 7.767 3.137 ( -1.807 -4.567 -0.847) 4.984 3.664 ( 2.977 5.332 7.157) 9.408 3.807 ( 1.245 1.182 -1.506) 2.283 3.867 ( 2.401 -8.680 2.585) 9.370 4.163 ( -1.026 -2.302 1.526) 2.947 4.304 ( -3.625 -3.508 -6.690) 8.379 4.769 ( -1.950 6.620 4.590) 8.288 5.098 ( -3.544 4.189 2.051) 5.858 5.367 ( 6.482 3.772 -0.414) 7.511 5.641 ( 3.317 4.148 2.233) 5.761 5.843 ( -1.217 3.616 2.512) 4.568 6.212 ( -2.159 2.635 0.758) 3.490 6.374 ( -2.495 -5.691 -2.708) 6.779 6.505 ( -3.530 0.461 2.328) 4.253 6.758 ( -0.075 6.953 2.768) 7.484 7.034 ( 1.279 6.456 0.534) 6.603 7.336 ( -2.404 4.376 4.631) 6.810 7.661 ( 1.439 -2.862 -4.620) 5.621 7.999 ( 3.363 -0.281 -1.596) 3.733 8.164 ( -0.384 -5.566 -1.481) 5.772 8.567 ( -1.613 2.597 -0.467) 3.093 8.651 ( 2.182 6.009 -7.441) 9.811 8.871 ( -2.475 -2.713 3.522) 5.088 9.337 ( 0.442 -3.589 0.862) 3.718 9.594 ( -0.806 0.257 0.061) 0.848 9.662 ( -0.411 2.615 6.011) 6.568 10.026 ( 2.677 2.747 -1.365) 4.071 10.219 ( -2.397 -3.480 -0.886) 4.318 10.362 ( -0.841 -0.463 -0.680) 1.177 10.527 ( -0.437 -3.920 -2.287) 4.560 10.630 ( 3.268 2.092 -3.001) 4.906 11.001 ( -1.052 1.651 -1.166) 2.279 11.251 ( 0.342 -3.195 -0.946) 3.349 11.777 ( -0.326 -0.397 2.630) 2.680 11.976 ( 0.279 -4.612 1.625) 4.897 12.286 ( 1.502 5.576 2.601) 6.334 ======================= Grid point 154 (87/125) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 6.189 -13.871 -11.476) 19.037 0.981 ( 3.853 -17.694 -4.227) 18.595 1.683 ( 4.252 -16.175 -5.422) 17.582 1.992 ( 2.999 -10.816 -0.760) 11.250 2.281 ( -2.190 3.286 6.056) 7.230 2.423 ( 1.753 3.295 -6.983) 7.918 3.097 ( 1.090 -3.080 0.790) 3.361 3.757 ( 2.309 0.035 -4.860) 5.380 3.824 ( -0.497 4.030 3.458) 5.334 3.859 ( 0.750 -5.654 4.626) 7.344 4.092 ( 0.736 -9.046 4.191) 9.997 4.243 ( -1.869 3.709 -4.660) 6.242 4.818 ( -2.629 5.749 6.686) 9.201 5.091 ( -3.504 3.477 4.401) 6.614 5.475 ( 0.657 4.898 -7.208) 8.740 5.685 ( -1.500 0.904 3.964) 4.334 5.886 ( -0.683 7.174 1.712) 7.407 6.196 ( -2.968 2.778 -1.162) 4.229 6.290 ( 1.521 -7.123 1.540) 7.445 6.514 ( 1.845 2.398 -0.136) 3.028 6.881 ( 2.883 8.407 4.358) 9.898 7.067 ( -2.767 3.278 -1.119) 4.433 7.347 ( -2.697 2.726 0.970) 3.956 7.595 ( -5.253 -0.226 2.629) 5.879 8.026 ( 1.703 -0.245 -4.839) 5.136 8.112 ( 1.206 -6.014 0.668) 6.170 8.559 ( -1.367 3.406 -3.304) 4.938 8.665 ( -1.241 1.787 -3.639) 4.239 8.861 ( 1.560 -0.392 1.307) 2.073 9.321 ( 2.431 -4.523 -0.605) 5.171 9.606 ( 0.845 -0.059 1.158) 1.435 9.717 ( -0.745 3.337 6.886) 7.688 10.048 ( -0.872 1.781 -5.729) 6.062 10.194 ( 2.729 -1.658 2.886) 4.304 10.343 ( -0.904 0.284 -2.351) 2.535 10.448 ( -1.193 -5.785 -1.852) 6.191 10.658 ( -0.612 2.636 -2.811) 3.902 11.004 ( -0.557 2.098 -0.088) 2.173 11.230 ( 2.251 -4.650 -1.208) 5.306 11.789 ( 0.380 0.023 2.149) 2.182 11.952 ( 1.179 -4.735 1.344) 5.061 12.358 ( -0.982 5.715 1.228) 5.927 ======================= Grid point 184 (88/125) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.000 -0.000 20.315) 20.315 0.870 ( 0.000 -0.000 20.315) 20.315 1.469 ( 0.000 -0.000 35.853) 35.853 1.742 ( 0.000 -0.000 3.172) 3.172 2.476 ( 0.000 -0.000 2.831) 2.831 2.476 ( 0.000 -0.000 2.831) 2.831 3.070 ( 0.000 -0.000 3.681) 3.681 3.070 ( 0.000 -0.000 3.681) 3.681 3.720 ( -0.000 0.000 -12.364) 12.364 3.848 ( 0.000 -0.000 9.519) 9.519 3.848 ( 0.000 -0.000 9.519) 9.519 4.477 ( -0.000 0.000 -5.129) 5.129 4.808 ( -0.000 0.000 -7.529) 7.529 4.808 ( -0.000 0.000 -7.529) 7.529 5.413 ( -0.000 0.000 -14.769) 14.769 5.810 ( -0.000 0.000 -12.765) 12.765 5.810 ( -0.000 0.000 -12.765) 12.765 6.428 ( 0.000 -0.000 9.423) 9.423 6.628 ( 0.000 -0.000 5.949) 5.949 6.628 ( 0.000 -0.000 5.949) 5.949 7.170 ( 0.000 -0.000 1.309) 1.309 7.170 ( 0.000 -0.000 1.309) 1.309 7.322 ( -0.000 0.000 -1.569) 1.569 7.919 ( -0.000 0.000 -0.400) 0.400 7.919 ( -0.000 0.000 -0.400) 0.400 7.984 ( 0.000 -0.000 5.200) 5.200 8.681 ( -0.000 0.000 -1.767) 1.767 8.681 ( -0.000 0.000 -1.767) 1.767 9.034 ( 0.000 -0.000 0.516) 0.516 9.258 ( -0.000 0.000 -4.526) 4.526 9.651 ( 0.000 -0.000 1.339) 1.339 9.651 ( 0.000 -0.000 1.339) 1.339 9.968 ( 0.000 -0.000 1.424) 1.424 10.203 ( -0.000 0.000 -1.408) 1.408 10.203 ( -0.000 0.000 -1.408) 1.408 10.847 ( -0.000 0.000 -2.660) 2.660 10.851 ( 0.000 -0.000 0.552) 0.552 10.851 ( 0.000 -0.000 0.552) 0.552 11.162 ( 0.000 -0.000 3.707) 3.707 11.737 ( -0.000 0.000 -4.143) 4.143 11.737 ( -0.000 0.000 -4.143) 4.143 12.246 ( -0.000 0.000 -0.731) 0.731 ======================= Grid point 185 (89/125) ======================= q-point: ( 0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 4.933 3.498 17.434) 18.453 1.069 ( 6.069 3.436 15.724) 17.201 1.670 ( 2.759 1.661 9.217) 9.763 1.834 ( 4.208 2.422 22.050) 22.578 2.408 ( -4.664 -2.323 2.838) 5.933 2.563 ( 3.004 1.371 3.004) 4.464 3.120 ( 1.332 3.225 4.272) 5.516 3.220 ( 11.918 4.283 0.350) 12.669 3.630 ( -2.056 -1.473 -9.305) 9.643 3.887 ( 0.679 -1.341 9.549) 9.667 3.993 ( 5.030 5.071 7.106) 10.076 4.376 ( -4.177 -2.731 -7.981) 9.413 4.708 ( -3.721 -0.097 -6.603) 7.580 4.905 ( 8.085 5.379 -5.294) 11.060 5.278 ( -3.499 -4.313 -13.469) 14.569 5.700 ( -1.009 -1.817 -13.811) 13.966 5.785 ( 2.505 3.522 -13.599) 14.269 6.368 ( -8.614 -3.089 8.819) 12.709 6.599 ( -3.619 -4.485 6.682) 8.823 6.759 ( 3.673 4.171 6.497) 8.550 7.071 ( -2.775 -3.123 -0.176) 4.181 7.173 ( -2.221 1.234 0.337) 2.563 7.372 ( 0.760 -0.881 -1.435) 1.847 7.734 ( -18.798 -10.860 6.366) 22.624 7.905 ( 0.932 -1.824 -0.214) 2.059 7.987 ( 3.624 3.493 -0.074) 5.034 8.642 ( -2.099 -0.182 -1.610) 2.652 8.731 ( 2.841 2.953 -2.078) 4.594 9.103 ( 5.385 2.395 0.139) 5.895 9.165 ( -5.213 -3.075 -1.624) 6.266 9.643 ( -0.567 -1.021 0.294) 1.205 9.672 ( -0.399 1.258 1.310) 1.859 10.045 ( 4.625 3.147 0.372) 5.606 10.188 ( 0.379 -2.206 -1.480) 2.684 10.197 ( 0.572 1.217 -1.557) 2.057 10.748 ( -3.667 -4.203 0.468) 5.597 10.805 ( -4.915 -0.491 7.106) 8.654 10.933 ( 4.000 2.060 -1.487) 4.739 11.266 ( 4.470 2.820 4.049) 6.658 11.665 ( 0.241 -3.009 -6.164) 6.864 11.733 ( -0.194 3.104 -4.110) 5.154 12.250 ( 1.097 -0.963 -3.293) 3.602 ======================= Grid point 186 (90/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 6.361 1.410 14.830) 16.198 1.297 ( 6.930 7.218 11.224) 15.036 1.707 ( 1.097 -1.513 -1.040) 2.139 2.074 ( 2.798 5.327 17.058) 18.089 2.329 ( -4.350 -2.611 4.874) 7.035 2.620 ( 1.818 -0.029 1.021) 2.086 3.219 ( 2.844 5.254 4.432) 7.439 3.468 ( 12.156 3.173 -0.740) 12.585 3.545 ( 0.643 -0.611 -5.068) 5.145 3.947 ( 1.039 -0.912 8.304) 8.419 4.043 ( -4.008 -2.417 -3.753) 6.000 4.341 ( 5.259 4.194 -0.755) 6.769 4.620 ( -4.011 0.898 -4.332) 5.971 4.983 ( -4.513 1.686 -4.174) 6.374 5.173 ( 6.978 -2.265 -6.378) 9.722 5.593 ( -0.861 -2.148 -11.030) 11.270 5.798 ( 3.724 5.301 -13.029) 14.551 6.258 ( -7.400 -0.470 4.537) 8.693 6.505 ( -5.538 -6.566 5.702) 10.310 6.842 ( -0.449 3.481 3.386) 4.877 7.066 ( -1.804 -0.756 3.115) 3.678 7.085 ( -9.536 -0.212 -2.226) 9.794 7.271 ( -2.784 -8.147 -3.073) 9.142 7.471 ( -7.175 -4.996 6.401) 10.836 7.913 ( 1.619 -1.278 0.200) 2.073 8.092 ( 4.657 3.620 0.150) 5.900 8.591 ( -2.659 -0.949 -0.998) 2.995 8.782 ( 0.279 3.452 -1.514) 3.780 9.057 ( -3.216 -2.336 -1.255) 4.168 9.218 ( 6.228 2.063 -0.797) 6.609 9.611 ( -1.599 -2.245 0.273) 2.769 9.683 ( -0.964 1.812 1.608) 2.607 10.077 ( -2.797 0.481 -1.514) 3.217 10.197 ( 0.663 4.127 -1.749) 4.531 10.233 ( 6.139 -3.267 -1.264) 7.068 10.667 ( -2.319 -4.562 2.028) 5.504 10.787 ( -4.732 0.968 11.702) 12.659 10.990 ( 1.617 1.701 -1.745) 2.925 11.303 ( -2.041 -2.782 2.837) 4.467 11.703 ( 8.464 2.970 -5.447) 10.494 11.746 ( 1.017 3.603 -3.701) 5.265 12.221 ( 0.405 -2.692 -4.295) 5.085 ======================= Grid point 187 (91/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.774 -0.680 13.809) 13.847 1.520 ( 6.043 6.377 5.540) 10.386 1.696 ( 1.976 -3.044 -1.365) 3.877 2.142 ( -5.157 2.802 6.651) 8.870 2.319 ( -0.334 -0.762 6.146) 6.202 2.620 ( -0.701 -1.559 -3.223) 3.648 3.331 ( 2.491 4.029 0.158) 4.739 3.472 ( -1.206 -0.014 3.088) 3.315 3.756 ( 12.206 4.337 -1.585) 13.050 3.851 ( -3.668 -4.471 -7.936) 9.820 4.046 ( 2.694 -0.975 8.007) 8.504 4.493 ( 4.753 4.743 2.496) 7.163 4.537 ( -3.749 0.803 -4.677) 6.047 4.869 ( -3.916 -1.121 -0.886) 4.168 5.271 ( 4.913 -0.182 0.294) 4.926 5.522 ( 0.792 -2.145 -5.520) 5.975 5.849 ( 4.324 3.323 -7.478) 9.256 6.195 ( -3.002 5.609 -4.328) 7.694 6.407 ( -2.652 -5.263 4.144) 7.205 6.827 ( -13.233 -2.858 -3.892) 14.087 6.868 ( -1.994 3.087 1.582) 4.001 7.006 ( -7.117 -1.659 -0.873) 7.360 7.178 ( -0.145 -6.285 -0.621) 6.317 7.471 ( 3.651 -1.448 8.182) 9.076 7.931 ( 1.503 -0.734 0.554) 1.762 8.189 ( 3.323 2.833 0.739) 4.429 8.535 ( -2.104 -1.873 -0.335) 2.836 8.750 ( -5.399 -0.226 0.282) 5.411 9.024 ( 1.367 0.695 -5.108) 5.333 9.324 ( 5.714 1.592 -1.485) 6.115 9.566 ( -2.028 -0.988 -0.113) 2.259 9.697 ( 0.094 0.202 2.517) 2.526 10.005 ( -3.908 -0.012 -2.832) 4.826 10.232 ( -0.463 5.100 -1.469) 5.328 10.292 ( 5.596 -3.755 -0.846) 6.791 10.615 ( -1.175 -4.132 3.165) 5.336 10.796 ( -4.870 1.971 12.045) 13.141 10.971 ( -2.981 -1.102 -2.102) 3.810 11.268 ( 1.689 -1.658 -2.493) 3.437 11.767 ( 1.503 2.074 -2.457) 3.549 11.874 ( 8.080 5.140 -0.781) 9.608 12.174 ( -0.083 -2.968 -3.507) 4.595 ======================= Grid point 188 (92/125) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -7.219 -5.500 8.926) 12.729 1.590 ( -4.583 -0.029 0.034) 4.583 1.753 ( 5.514 1.225 4.606) 7.288 2.160 ( 0.337 2.297 9.154) 9.444 2.310 ( -1.694 -0.910 -1.863) 2.678 2.522 ( -5.528 -3.216 -5.733) 8.589 3.321 ( -2.844 -1.157 -2.769) 4.134 3.550 ( 3.011 3.556 5.818) 7.454 3.697 ( -1.660 -1.434 -5.945) 6.337 3.983 ( 9.160 1.187 -2.011) 9.452 4.111 ( 1.336 -0.991 4.728) 5.012 4.443 ( -6.037 1.257 2.715) 6.738 4.615 ( 4.643 3.160 -3.504) 6.620 4.860 ( 1.445 0.841 4.417) 4.723 5.310 ( 1.851 -1.765 0.109) 2.560 5.525 ( 3.845 -1.560 -0.785) 4.223 5.862 ( -0.511 -2.216 -1.647) 2.808 6.212 ( 0.245 8.661 -10.185) 13.372 6.398 ( 2.560 0.152 2.741) 3.754 6.613 ( -7.831 -1.415 -5.106) 9.455 6.836 ( -8.665 0.913 1.624) 8.863 6.878 ( -0.147 -1.555 -3.232) 3.590 7.170 ( 3.036 -0.355 1.073) 3.239 7.577 ( 4.121 -1.601 8.703) 9.761 7.952 ( 1.210 -0.321 1.225) 1.752 8.247 ( 0.450 1.526 1.302) 2.056 8.501 ( 0.940 -2.736 0.301) 2.909 8.649 ( -5.888 -0.967 0.054) 5.967 9.011 ( -0.350 0.617 -6.178) 6.219 9.395 ( 2.684 0.622 -2.397) 3.652 9.540 ( -0.384 1.208 -0.782) 1.489 9.706 ( 0.151 -1.711 0.652) 1.837 9.951 ( -1.296 0.914 -0.891) 1.819 10.257 ( -0.799 3.582 -0.407) 3.692 10.328 ( 2.942 -1.860 -0.972) 3.614 10.589 ( -0.322 -3.353 3.661) 4.975 10.764 ( -7.426 -1.879 6.244) 9.882 10.917 ( -0.323 0.977 -0.419) 1.111 11.287 ( 2.349 -0.122 -2.321) 3.305 11.790 ( 0.986 1.068 -1.950) 2.432 12.027 ( 5.712 3.670 0.778) 6.833 12.129 ( -0.267 -2.035 -2.043) 2.896 ======================= Grid point 189 (93/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -10.503 -9.019 6.184) 15.162 1.434 ( -12.742 -2.668 2.762) 13.308 1.867 ( 1.273 0.523 8.674) 8.782 2.232 ( -0.947 -3.151 -12.321) 12.753 2.275 ( 4.174 0.581 9.063) 9.995 2.343 ( -9.969 -1.594 -0.270) 10.099 3.229 ( -5.224 -1.497 -0.856) 5.501 3.615 ( 4.598 -0.127 -6.394) 7.877 3.728 ( 2.875 2.260 5.658) 6.737 4.011 ( -1.626 -4.509 -3.318) 5.830 4.149 ( 1.598 1.675 1.015) 2.528 4.378 ( -7.319 0.112 6.009) 9.471 4.684 ( 4.288 3.529 -4.817) 7.352 4.969 ( 5.690 3.443 4.849) 8.231 5.323 ( 2.650 -2.484 0.414) 3.656 5.588 ( 5.418 -1.360 -1.142) 5.702 5.816 ( -0.847 -0.313 -1.028) 1.368 6.209 ( -1.005 4.023 -6.986) 8.124 6.446 ( -0.868 -1.424 -1.711) 2.389 6.524 ( -2.293 5.216 -1.963) 6.027 6.714 ( -3.433 -0.550 -1.011) 3.621 6.921 ( 5.664 1.598 -1.531) 6.080 7.255 ( 4.091 4.315 -0.543) 5.971 7.651 ( 1.455 -2.518 7.676) 8.208 7.978 ( 1.478 -0.908 2.237) 2.831 8.238 ( -2.962 -0.853 1.470) 3.415 8.529 ( 4.101 -0.905 0.638) 4.247 8.572 ( -2.603 -0.156 1.508) 3.012 8.952 ( -3.214 0.137 -5.033) 5.973 9.388 ( -1.153 -0.411 -2.270) 2.579 9.569 ( 1.875 1.588 -0.249) 2.469 9.676 ( -0.491 -0.664 -4.085) 4.168 9.972 ( 2.224 0.168 1.834) 2.887 10.259 ( -2.135 1.036 1.019) 2.583 10.348 ( 0.839 1.534 -1.372) 2.222 10.589 ( 1.194 -3.284 4.484) 5.685 10.636 ( -6.466 -3.393 0.520) 7.320 10.954 ( 1.187 2.436 1.865) 3.290 11.291 ( -0.399 -0.854 -0.878) 1.289 11.793 ( 0.072 0.239 -2.015) 2.030 12.053 ( -1.941 -2.178 -1.081) 3.111 12.181 ( 5.651 2.944 -0.217) 6.376 ======================= Grid point 194 (94/125) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 0.293 2.575 16.004) 16.213 1.169 ( 0.051 7.799 12.510) 14.743 1.701 ( -0.427 2.494 0.538) 2.586 1.988 ( 0.694 4.378 28.437) 28.780 2.437 ( 0.316 -4.105 3.906) 5.675 2.564 ( -0.432 1.535 2.351) 2.840 3.133 ( 1.795 1.558 5.330) 5.836 3.235 ( -1.943 10.930 2.032) 11.285 3.582 ( -0.131 -2.528 -6.586) 7.056 3.974 ( -3.627 2.484 8.000) 9.128 4.010 ( 3.668 5.098 6.591) 9.104 4.320 ( -0.317 -5.034 -9.550) 10.800 4.764 ( 8.598 4.668 -5.433) 11.191 4.791 ( -6.325 2.965 -3.981) 8.041 5.219 ( -1.949 -2.349 -12.173) 12.550 5.609 ( -1.057 -2.414 -15.615) 15.836 5.698 ( 2.178 3.314 -14.300) 14.839 6.435 ( 1.673 -6.689 8.465) 10.918 6.672 ( -6.684 -4.680 4.746) 9.439 6.740 ( 6.258 0.371 8.832) 10.831 7.015 ( -1.568 -11.031 0.282) 11.145 7.157 ( 1.872 -0.607 -1.543) 2.500 7.443 ( -1.074 7.216 -1.554) 7.459 7.744 ( -0.235 -19.783 5.716) 20.594 7.938 ( -2.854 1.363 0.205) 3.169 7.986 ( 2.442 3.613 0.273) 4.369 8.661 ( 0.110 -1.352 -2.115) 2.512 8.676 ( 1.633 1.850 -2.081) 3.228 9.105 ( -0.453 5.301 0.010) 5.320 9.154 ( -0.024 -4.930 -2.614) 5.580 9.640 ( -0.723 -1.988 1.398) 2.536 9.682 ( 1.305 0.314 1.238) 1.826 10.040 ( 0.026 4.191 0.275) 4.200 10.150 ( -0.243 -2.282 -0.942) 2.480 10.221 ( -0.643 2.881 -1.660) 3.386 10.751 ( -1.653 -4.663 1.436) 5.151 10.857 ( 2.333 -0.556 4.184) 4.823 10.926 ( -0.509 4.189 -0.509) 4.251 11.286 ( 0.290 6.674 3.346) 7.471 11.631 ( -3.232 -3.455 -5.416) 7.191 11.704 ( 3.050 1.563 -4.621) 5.753 12.233 ( -1.166 -0.564 -2.542) 2.853 ======================= Grid point 195 (95/125) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 5.066 3.032 13.280) 14.534 1.338 ( 3.874 8.638 8.536) 12.747 1.699 ( -1.241 0.526 -1.465) 1.990 2.205 ( 1.786 5.225 20.207) 20.948 2.395 ( -3.787 -3.364 4.594) 6.838 2.589 ( 1.479 -1.043 0.535) 1.887 3.236 ( 3.888 3.014 4.433) 6.622 3.368 ( 5.311 9.730 1.572) 11.196 3.524 ( -0.747 -1.857 -2.006) 2.834 4.005 ( -0.837 1.868 7.734) 8.001 4.038 ( -3.730 -4.533 -6.674) 8.889 4.296 ( 4.585 5.167 -1.487) 7.067 4.698 ( -5.828 2.302 -2.592) 6.781 4.980 ( 11.974 8.017 -1.878) 14.532 5.064 ( -5.927 -3.094 -7.520) 10.062 5.491 ( 0.681 -3.242 -14.435) 14.810 5.714 ( 3.990 5.857 -13.363) 15.126 6.393 ( -6.147 -3.194 6.726) 9.655 6.534 ( -4.926 -9.781 2.844) 11.314 6.834 ( 1.973 -2.312 1.236) 3.281 6.977 ( 6.480 -8.385 6.108) 12.231 7.163 ( -0.250 -1.585 -0.019) 1.604 7.321 ( -10.733 -7.670 -3.227) 13.582 7.584 ( -7.845 -3.345 3.653) 9.278 7.928 ( -0.969 1.467 1.551) 2.344 8.066 ( 3.084 5.309 0.012) 6.140 8.611 ( -1.746 -1.499 -1.631) 2.820 8.751 ( 4.627 2.379 -3.192) 6.104 9.061 ( -2.790 -6.326 -0.958) 6.980 9.175 ( 2.518 4.970 -0.396) 5.585 9.609 ( -0.973 -2.918 0.758) 3.168 9.714 ( 0.502 1.252 1.298) 1.872 10.081 ( 3.217 -5.104 -0.721) 6.076 10.132 ( -1.581 4.335 -0.601) 4.653 10.235 ( 0.668 3.570 -1.737) 4.026 10.679 ( -3.012 -4.343 2.536) 5.863 10.898 ( -0.612 0.126 7.153) 7.180 10.978 ( 1.712 4.095 0.077) 4.439 11.331 ( -3.179 -4.508 2.680) 6.133 11.599 ( 5.272 6.997 -5.580) 10.387 11.733 ( 1.706 2.708 -4.301) 5.361 12.183 ( -1.187 -2.182 -2.626) 3.615 ======================= Grid point 196 (96/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 4.959 2.751 12.021) 13.292 1.528 ( 5.044 8.384 4.267) 10.674 1.656 ( -1.720 -2.259 -1.479) 3.202 2.300 ( -6.177 1.265 8.134) 10.291 2.350 ( -0.419 -1.368 5.017) 5.217 2.585 ( 0.481 -2.566 -1.928) 3.245 3.327 ( 1.991 2.462 -0.672) 3.237 3.494 ( 1.509 -0.475 5.144) 5.382 3.614 ( 9.717 8.065 2.676) 12.908 3.845 ( -6.018 -5.949 -10.369) 13.384 4.064 ( 0.731 1.588 6.817) 7.037 4.434 ( 5.790 5.217 -2.266) 8.116 4.615 ( -4.591 0.309 -0.652) 4.648 4.933 ( -5.243 -0.108 0.682) 5.288 5.209 ( 6.785 7.263 -0.694) 9.963 5.415 ( 3.072 -3.480 -10.611) 11.582 5.778 ( 4.883 6.277 -7.787) 11.130 6.292 ( -6.648 0.473 0.200) 6.668 6.397 ( -2.328 -8.092 1.302) 8.521 6.839 ( 2.730 -4.098 -3.791) 6.214 6.958 ( -9.243 -11.847 2.634) 15.255 7.023 ( -0.923 -6.249 0.594) 6.345 7.211 ( -2.620 3.311 -0.243) 4.230 7.479 ( -4.194 -1.256 5.372) 6.930 7.941 ( -0.573 1.521 2.207) 2.741 8.168 ( 3.546 4.682 0.130) 5.875 8.557 ( -2.602 -1.389 -1.046) 3.129 8.796 ( -0.114 0.832 -3.087) 3.199 8.967 ( -0.129 -4.835 -1.638) 5.106 9.263 ( 3.833 3.410 -0.523) 5.157 9.573 ( -0.804 -2.270 0.431) 2.447 9.731 ( -1.081 2.032 1.045) 2.528 10.030 ( -1.611 -4.297 -1.678) 4.886 10.178 ( 3.779 0.782 -1.280) 4.066 10.280 ( 0.333 5.066 -0.729) 5.129 10.615 ( -1.982 -4.630 3.625) 6.206 10.926 ( -1.482 0.537 7.416) 7.582 11.010 ( -3.490 -0.437 2.435) 4.278 11.218 ( -0.610 -3.097 -4.439) 5.447 11.737 ( 3.038 2.035 -1.986) 4.161 11.808 ( 6.773 8.760 -1.850) 11.227 12.136 ( -0.517 -2.132 -2.105) 3.040 ======================= Grid point 197 (97/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -6.752 -2.274 5.524) 9.015 1.647 ( 1.103 0.976 2.622) 3.007 1.694 ( 6.400 5.609 3.012) 9.028 2.250 ( -4.052 -2.499 10.347) 11.390 2.310 ( -3.001 -1.293 -7.345) 8.039 2.541 ( -2.034 -2.287 -0.801) 3.164 3.337 ( -0.804 0.567 -1.479) 1.776 3.552 ( 0.970 -2.504 4.414) 5.167 3.677 ( -1.841 -0.477 -7.479) 7.717 3.856 ( 9.460 4.864 2.832) 11.008 4.121 ( 0.698 0.892 3.848) 4.011 4.494 ( 1.031 0.052 -3.082) 3.251 4.596 ( 0.088 3.131 1.095) 3.318 4.903 ( -2.232 1.156 6.282) 6.766 5.290 ( 1.471 2.560 -4.997) 5.804 5.415 ( 3.935 -0.221 -4.359) 5.876 5.863 ( 1.142 0.635 3.716) 3.939 6.216 ( -1.024 2.468 -9.298) 9.674 6.365 ( 2.411 0.609 0.445) 2.527 6.681 ( -7.762 -6.434 -4.460) 11.024 6.837 ( -0.162 -2.217 -4.041) 4.612 6.957 ( -3.322 -5.488 1.748) 6.649 7.180 ( -3.622 4.388 1.644) 5.923 7.510 ( 4.845 -5.112 8.137) 10.762 7.960 ( -0.216 1.031 2.377) 2.599 8.258 ( 2.354 4.016 0.825) 4.727 8.491 ( -2.746 -2.186 -0.704) 3.580 8.722 ( -5.195 -1.729 -1.275) 5.622 8.958 ( 2.872 -1.367 -3.900) 5.033 9.343 ( 3.384 1.866 -0.861) 3.959 9.552 ( -0.311 -0.030 -0.799) 0.858 9.727 ( -2.315 1.607 0.626) 2.887 9.962 ( -1.272 -2.318 -1.478) 3.029 10.238 ( 4.644 -0.717 -1.319) 4.881 10.321 ( -1.053 5.210 0.764) 5.370 10.574 ( -0.403 -5.067 3.534) 6.190 10.872 ( -7.967 -6.266 0.133) 10.137 10.951 ( -0.736 1.391 4.278) 4.559 11.243 ( 3.073 3.261 -2.226) 5.003 11.768 ( 1.469 0.991 -2.079) 2.732 11.980 ( 5.742 5.491 0.367) 7.953 12.105 ( -0.153 -1.362 -1.014) 1.705 ======================= Grid point 198 (98/125) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -10.444 -5.572 3.349) 12.302 1.621 ( -8.542 1.705 3.464) 9.374 1.869 ( 6.448 2.808 6.928) 9.871 2.153 ( -3.389 -5.931 -11.887) 13.710 2.279 ( 1.350 -0.998 7.091) 7.287 2.472 ( -5.952 -0.015 2.688) 6.531 3.304 ( -4.092 0.733 1.108) 4.303 3.506 ( 2.044 -3.333 -6.358) 7.464 3.718 ( 3.478 1.963 1.830) 4.393 3.977 ( 1.269 -1.226 1.212) 2.140 4.147 ( 0.517 0.665 0.177) 0.860 4.492 ( -1.657 -0.305 3.551) 3.930 4.633 ( 1.953 3.135 -3.360) 4.993 4.948 ( 2.539 0.670 6.107) 6.647 5.303 ( 1.067 1.974 -2.194) 3.138 5.464 ( 4.227 1.131 -4.596) 6.346 5.848 ( -3.028 -3.159 4.761) 6.466 6.195 ( 1.428 2.254 -7.912) 8.350 6.425 ( 0.751 0.677 -1.800) 2.065 6.570 ( -0.009 3.913 -2.965) 4.909 6.805 ( -2.245 -0.525 -3.013) 3.793 6.851 ( -1.922 -1.591 0.232) 2.506 7.228 ( 2.807 4.084 0.515) 4.982 7.580 ( 5.601 -8.599 7.461) 12.688 7.976 ( -0.111 0.047 2.048) 2.052 8.301 ( -2.778 2.216 1.326) 3.793 8.460 ( 2.924 -1.455 0.495) 3.303 8.628 ( -4.000 -0.552 -0.414) 4.059 8.957 ( 0.026 0.017 -3.040) 3.040 9.377 ( 0.523 0.265 -1.914) 2.002 9.564 ( 1.517 2.316 -1.239) 3.033 9.691 ( -3.507 1.208 -1.042) 3.852 9.942 ( 1.300 -1.407 -0.274) 1.935 10.289 ( 2.517 -0.122 -0.653) 2.603 10.354 ( -1.216 4.310 2.237) 5.006 10.551 ( 1.315 -5.399 3.189) 6.407 10.693 ( -6.609 -5.138 -2.631) 8.775 10.982 ( 0.186 1.303 3.503) 3.742 11.295 ( 0.367 2.731 -0.705) 2.844 11.780 ( 0.567 0.449 -1.759) 1.902 12.051 ( -0.254 -0.101 -1.570) 1.593 12.126 ( 3.647 1.602 0.598) 4.028 ======================= Grid point 203 (99/125) ======================= q-point: ( 0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -6.160 4.378 12.700) 14.778 1.320 ( -2.393 6.599 9.863) 12.106 1.727 ( -0.149 2.734 -2.095) 3.448 2.140 ( 1.393 -0.031 17.780) 17.834 2.403 ( 2.787 -2.036 7.447) 8.209 2.608 ( -2.007 0.270 0.367) 2.058 3.184 ( -2.238 1.431 5.506) 6.113 3.430 ( -7.218 11.532 1.011) 13.642 3.525 ( 0.586 -1.601 -3.223) 3.646 4.022 ( 2.780 -1.129 -1.839) 3.519 4.061 ( 0.440 1.980 4.667) 5.089 4.277 ( -3.913 3.366 -1.893) 5.497 4.633 ( 6.354 0.170 -2.704) 6.908 4.904 ( -4.305 -0.239 -2.363) 4.916 5.197 ( -1.810 6.846 -5.050) 8.698 5.523 ( -2.029 -1.257 -15.779) 15.959 5.626 ( -1.439 0.684 -14.133) 14.222 6.342 ( 7.078 -5.760 7.191) 11.618 6.632 ( 6.059 -7.828 5.189) 11.176 6.743 ( -3.651 -5.492 2.692) 7.123 7.010 ( -4.158 -8.914 5.010) 11.038 7.089 ( 3.682 -1.943 -2.575) 4.896 7.399 ( 6.232 -4.307 -1.618) 7.746 7.584 ( 6.630 -3.681 4.489) 8.812 7.976 ( 3.002 5.205 -1.133) 6.115 8.034 ( -5.243 3.615 0.727) 6.410 8.608 ( 2.111 -1.112 -0.869) 2.539 8.700 ( -3.408 -0.498 -2.022) 3.994 9.059 ( 2.262 -6.274 -1.225) 6.781 9.195 ( -3.122 5.809 -1.082) 6.683 9.645 ( 0.700 -2.825 0.386) 2.936 9.663 ( -0.043 0.375 2.539) 2.567 10.086 ( 0.660 2.098 -0.152) 2.204 10.107 ( -0.810 -4.489 -1.611) 4.838 10.277 ( -2.119 5.993 -1.906) 6.636 10.730 ( 1.617 -2.235 2.143) 3.493 10.831 ( 2.351 -3.270 6.987) 8.064 10.971 ( -0.881 3.362 -0.563) 3.521 11.353 ( 0.849 -0.737 3.765) 3.929 11.646 ( -4.471 3.388 -5.682) 7.985 11.677 ( -0.929 4.014 -4.181) 5.870 12.223 ( -0.112 -0.120 -3.868) 3.871 ======================= Grid point 204 (100/125) ======================= q-point: ( 0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.545 4.081 11.705) 12.408 1.422 ( 0.931 8.274 6.485) 10.553 1.720 ( -1.336 1.351 -2.826) 3.405 2.276 ( 4.364 -0.850 10.456) 11.363 2.449 ( -1.513 -1.288 8.848) 9.069 2.578 ( -1.014 -0.901 -0.386) 1.410 3.232 ( 1.806 2.350 4.596) 5.469 3.455 ( -1.829 6.118 1.383) 6.533 3.521 ( -0.193 4.202 1.229) 4.382 3.966 ( -0.713 -6.496 -8.423) 10.661 4.103 ( -2.031 2.674 3.708) 5.002 4.298 ( 0.983 7.279 0.372) 7.354 4.728 ( 2.375 -2.851 -4.343) 5.712 4.904 ( 5.266 9.759 2.475) 11.362 5.149 ( -7.942 4.271 -0.428) 9.028 5.373 ( -1.027 -3.354 -15.810) 16.195 5.623 ( 4.886 5.874 -12.398) 14.563 6.419 ( 2.773 -6.094 7.347) 9.940 6.512 ( -3.447 -11.030 -2.273) 11.778 6.788 ( 3.845 -4.645 5.025) 7.849 6.873 ( -2.952 -10.567 5.930) 12.472 7.118 ( 3.012 -3.300 -0.071) 4.468 7.320 ( -3.411 -11.092 -1.486) 11.699 7.673 ( 0.527 4.106 -0.164) 4.143 7.971 ( -3.222 1.977 -0.427) 3.804 8.086 ( 1.958 6.386 0.307) 6.687 8.592 ( 0.022 -3.163 -1.656) 3.570 8.696 ( 2.126 2.466 -1.245) 3.486 9.011 ( 0.352 -7.518 -0.152) 7.527 9.212 ( -0.744 5.647 -0.903) 5.767 9.603 ( -1.423 -3.546 0.945) 3.936 9.702 ( 2.125 0.124 1.741) 2.750 10.029 ( -1.561 -3.886 -0.606) 4.232 10.169 ( 3.498 3.593 0.378) 5.028 10.258 ( -3.093 3.712 -2.899) 5.634 10.706 ( -2.338 -3.371 2.819) 4.978 10.884 ( 3.471 -1.868 2.986) 4.945 11.015 ( 0.781 4.285 2.800) 5.178 11.332 ( -2.247 -7.210 -0.093) 7.553 11.616 ( -0.417 8.347 -1.820) 8.553 11.713 ( 1.344 6.355 -4.303) 7.792 12.178 ( -1.698 -1.573 -2.751) 3.595 ======================= Grid point 205 (101/125) ======================= q-point: ( 0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 4.279 2.927 9.498) 10.820 1.567 ( 3.281 9.027 3.991) 10.401 1.676 ( -2.916 -1.028 -2.011) 3.688 2.339 ( 1.534 -3.601 0.716) 3.979 2.432 ( -4.610 -0.396 5.692) 7.335 2.554 ( -0.369 -2.475 0.085) 2.504 3.303 ( 2.369 1.090 0.496) 2.654 3.495 ( 1.504 0.103 5.982) 6.169 3.630 ( 2.928 10.057 3.893) 11.175 3.812 ( -4.187 -4.962 -10.233) 12.119 4.120 ( -1.144 2.402 3.503) 4.399 4.395 ( 3.319 5.228 -1.597) 6.395 4.653 ( -2.613 -2.380 -3.413) 4.913 5.068 ( -7.668 3.560 5.697) 10.195 5.179 ( 8.913 12.403 2.136) 15.422 5.261 ( 2.747 -4.748 -11.955) 13.154 5.713 ( 5.706 8.593 -9.028) 13.708 6.317 ( -2.431 -12.885 -0.029) 13.112 6.432 ( -5.282 0.091 2.515) 5.851 6.721 ( 1.156 -8.761 -1.767) 9.012 6.875 ( 4.418 -9.776 5.110) 11.882 7.033 ( -5.943 -11.448 1.116) 12.947 7.232 ( 0.903 0.957 -0.429) 1.384 7.632 ( -8.697 3.642 -0.570) 9.446 7.968 ( 0.126 1.600 0.356) 1.644 8.174 ( 2.077 5.702 0.295) 6.076 8.564 ( -0.244 -1.757 -0.630) 1.883 8.747 ( 3.192 1.159 -3.193) 4.662 8.934 ( -1.913 -6.763 0.906) 7.087 9.259 ( 1.164 4.401 -0.115) 4.553 9.560 ( -0.451 -3.068 0.449) 3.133 9.749 ( 2.019 1.015 1.319) 2.617 9.970 ( -0.336 -5.408 -0.461) 5.438 10.199 ( -2.875 3.969 -2.289) 5.409 10.287 ( 3.414 3.375 -0.184) 4.804 10.645 ( -3.515 -3.403 3.391) 5.953 10.933 ( 2.581 -0.851 1.454) 3.082 11.079 ( -1.477 -1.547 6.956) 7.278 11.183 ( -2.836 -3.498 -6.326) 7.765 11.704 ( 2.530 2.967 -0.783) 3.977 11.806 ( 3.519 11.078 -1.608) 11.734 12.128 ( -1.268 -1.335 -1.091) 2.140 ======================= Grid point 206 (102/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -4.993 -2.275 1.080) 5.592 1.592 ( 6.769 0.587 5.690) 8.863 1.718 ( 2.696 8.834 1.806) 9.411 2.266 ( -2.574 -5.499 -8.341) 10.317 2.367 ( -5.793 -2.158 5.364) 8.185 2.532 ( 0.743 -2.214 0.733) 2.447 3.330 ( 1.100 0.143 -1.284) 1.696 3.542 ( -0.412 -4.427 5.986) 7.457 3.663 ( -1.686 0.774 -7.476) 7.702 3.823 ( 5.283 8.763 4.220) 11.068 4.144 ( -0.180 1.272 1.982) 2.362 4.449 ( 1.514 0.500 -2.505) 2.970 4.615 ( 0.626 1.105 -1.243) 1.777 5.028 ( -6.330 0.651 8.427) 10.559 5.198 ( 3.708 1.683 -12.015) 12.687 5.409 ( 3.148 7.205 3.667) 8.676 5.855 ( 5.662 6.411 0.358) 8.561 6.169 ( -1.731 -9.299 -4.527) 10.486 6.371 ( -2.105 2.690 -0.799) 3.508 6.656 ( -0.287 -6.923 -4.034) 8.017 6.819 ( -3.128 -5.343 -1.227) 6.312 6.902 ( 1.081 -7.828 2.461) 8.276 7.265 ( 0.667 0.068 1.853) 1.971 7.521 ( -6.854 0.418 2.440) 7.287 7.986 ( -0.140 1.176 1.050) 1.583 8.259 ( 2.715 4.459 0.299) 5.229 8.524 ( -3.167 -1.567 -0.149) 3.537 8.758 ( -1.417 -0.780 -2.566) 3.033 8.873 ( 2.009 -3.358 -0.500) 3.945 9.321 ( 2.054 2.825 0.583) 3.541 9.541 ( 0.391 -1.116 -0.401) 1.249 9.789 ( -0.789 3.318 0.947) 3.539 9.916 ( 0.753 -5.974 -0.553) 6.047 10.189 ( 0.318 2.426 -2.963) 3.843 10.367 ( 2.150 3.539 1.508) 4.407 10.577 ( -3.396 -3.731 3.323) 6.041 10.916 ( -7.092 -6.440 -4.469) 10.571 10.969 ( 1.209 -3.231 3.895) 5.204 11.231 ( 2.983 5.603 0.386) 6.359 11.744 ( 1.453 1.461 -1.402) 2.492 11.959 ( 4.248 7.511 -0.094) 8.629 12.102 ( -0.675 -0.697 0.646) 1.165 ======================= Grid point 207 (103/125) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -7.758 -4.926 1.494) 9.311 1.750 ( 2.560 2.811 6.828) 7.816 1.819 ( 2.569 5.071 0.371) 5.696 2.086 ( -4.198 -6.162 -14.285) 16.114 2.295 ( -2.217 -5.144 6.438) 8.533 2.547 ( -0.307 0.840 3.553) 3.664 3.339 ( 1.425 0.097 -1.698) 2.219 3.461 ( -3.863 -2.981 -0.412) 4.897 3.689 ( 2.610 2.675 -0.858) 3.835 3.968 ( 2.345 2.482 3.616) 4.973 4.147 ( -0.742 -0.812 -0.406) 1.173 4.464 ( 2.951 -1.219 -0.181) 3.197 4.646 ( 0.444 3.262 -1.178) 3.496 4.973 ( -2.418 -2.631 2.735) 4.500 5.247 ( 3.586 3.254 -2.770) 5.579 5.497 ( -1.092 8.353 0.968) 8.479 5.895 ( -4.891 -6.658 5.081) 9.699 6.112 ( 5.520 1.539 -7.440) 9.391 6.415 ( 1.914 2.668 -0.491) 3.320 6.571 ( -0.122 0.521 -3.689) 3.728 6.753 ( 0.691 -0.762 -4.802) 4.911 6.875 ( -0.194 -5.391 3.151) 6.248 7.271 ( -1.431 2.672 0.526) 3.076 7.468 ( 0.751 -6.593 4.392) 7.957 7.994 ( -0.599 0.082 1.194) 1.339 8.347 ( 2.743 4.223 0.521) 5.063 8.440 ( -3.689 -3.164 0.085) 4.861 8.683 ( -4.173 -1.476 0.216) 4.432 8.915 ( 3.842 1.086 -2.214) 4.566 9.368 ( 0.777 1.224 0.056) 1.451 9.548 ( 1.260 0.930 -0.968) 1.841 9.780 ( -4.537 3.282 0.320) 5.609 9.895 ( 2.212 -3.244 -0.389) 3.946 10.221 ( 3.542 0.839 -2.409) 4.365 10.440 ( 0.894 3.919 3.667) 5.441 10.505 ( -2.516 -5.182 2.281) 6.196 10.725 ( -6.127 -5.441 -4.472) 9.335 10.987 ( 1.261 -1.355 1.923) 2.669 11.317 ( 1.186 4.276 0.582) 4.476 11.766 ( 0.840 1.057 -1.017) 1.690 12.048 ( 0.848 3.072 -1.671) 3.598 12.105 ( 1.007 -0.013 2.077) 2.309 ======================= Grid point 212 (104/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -4.589 4.931 8.666) 10.976 1.470 ( -4.518 4.094 8.734) 10.652 1.729 ( 0.563 2.789 -3.648) 4.627 2.133 ( 2.772 -6.282 7.077) 9.860 2.409 ( 3.151 0.400 9.655) 10.164 2.614 ( 0.240 -0.978 -3.437) 3.581 3.277 ( -3.789 1.339 3.315) 5.209 3.477 ( 0.271 -2.437 2.433) 3.454 3.676 ( -8.251 8.524 -1.134) 11.917 3.880 ( 4.768 -1.496 -8.685) 10.020 4.114 ( 0.038 3.769 4.646) 5.983 4.423 ( -6.636 5.721 -0.353) 8.768 4.528 ( 4.174 -3.884 0.535) 5.727 4.889 ( 1.774 -1.257 1.202) 2.484 5.320 ( -0.843 8.038 1.803) 8.281 5.497 ( -2.388 4.974 -10.073) 11.486 5.627 ( -11.171 -1.070 -12.856) 17.065 6.210 ( 7.433 -4.637 3.968) 9.618 6.503 ( 4.325 -5.818 3.192) 7.921 6.733 ( -1.065 -8.033 -2.634) 8.521 6.875 ( 5.420 -11.554 3.875) 13.337 7.030 ( 3.670 -3.639 -1.092) 5.282 7.298 ( 4.431 2.173 -1.524) 5.165 7.527 ( 1.565 0.403 5.153) 5.400 7.970 ( 2.008 3.663 -0.949) 4.284 8.153 ( -4.228 3.850 1.353) 5.876 8.568 ( 1.675 -0.374 -0.098) 1.719 8.724 ( -1.010 -2.167 -0.902) 2.555 8.973 ( 0.181 -4.738 -2.527) 5.373 9.291 ( -3.726 4.746 -1.711) 6.272 9.586 ( 2.685 -2.447 -0.359) 3.650 9.711 ( -1.842 1.703 3.370) 4.201 10.002 ( 3.957 -3.345 -2.249) 5.649 10.139 ( -3.654 -1.531 -0.244) 3.970 10.349 ( -0.779 6.370 -2.305) 6.819 10.685 ( 2.965 -1.564 1.436) 3.647 10.811 ( 0.532 -5.946 9.444) 11.172 10.989 ( 1.737 0.396 0.419) 1.831 11.300 ( 2.566 -0.128 -2.344) 3.478 11.707 ( -3.343 0.794 -1.830) 3.893 11.801 ( -6.894 8.486 -1.559) 11.044 12.192 ( 1.106 0.267 -4.093) 4.248 ======================= Grid point 213 (105/125) ======================= q-point: ( 0.44 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -5.395 4.069 8.737) 11.046 1.528 ( -1.037 6.716 5.828) 8.952 1.723 ( -0.446 1.152 -4.753) 4.910 2.198 ( 6.288 -5.201 5.724) 9.968 2.497 ( 0.925 -1.158 7.436) 7.582 2.576 ( -0.602 -0.841 -3.599) 3.745 3.274 ( -1.226 1.891 3.361) 4.047 3.477 ( 0.192 -2.100 4.859) 5.297 3.652 ( -3.675 7.658 -0.019) 8.494 3.864 ( 0.966 -0.748 -9.404) 9.483 4.152 ( -0.408 2.118 0.616) 2.244 4.396 ( -3.689 6.661 -0.215) 7.618 4.602 ( 6.589 -2.404 0.325) 7.021 4.937 ( 2.166 3.690 5.474) 6.948 5.294 ( -3.157 -1.867 -14.293) 14.756 5.391 ( -12.197 6.168 2.702) 13.932 5.552 ( 3.428 9.929 -6.853) 12.542 6.304 ( 6.294 -9.198 4.101) 11.875 6.439 ( -0.557 -6.520 -2.824) 7.127 6.714 ( 3.220 -4.516 3.580) 6.602 6.828 ( 0.391 -15.704 6.437) 16.977 7.047 ( 2.253 -1.965 -0.404) 3.017 7.284 ( -2.865 -3.701 -1.477) 4.908 7.629 ( 7.114 3.099 -1.675) 7.939 8.017 ( 0.207 1.990 -2.641) 3.313 8.149 ( -2.409 6.403 1.497) 7.003 8.554 ( -0.374 -3.245 -1.151) 3.464 8.710 ( -0.593 2.051 0.492) 2.191 8.927 ( 1.642 -6.772 0.698) 7.003 9.278 ( -2.216 4.748 -1.385) 5.419 9.586 ( 0.410 -3.381 -0.174) 3.411 9.706 ( -1.529 0.513 2.807) 3.237 10.006 ( 0.552 -4.529 -0.766) 4.626 10.134 ( 3.053 3.126 0.428) 4.390 10.343 ( -4.068 4.503 -3.239) 6.879 10.699 ( 1.299 -3.223 0.129) 3.478 10.827 ( 2.234 -4.907 6.445) 8.403 11.041 ( 2.147 1.665 2.949) 4.010 11.281 ( -0.804 -3.645 -4.615) 5.935 11.679 ( -1.361 2.819 0.304) 3.145 11.801 ( -3.280 11.055 -1.477) 11.626 12.167 ( -0.709 -1.067 -3.511) 3.738 ======================= Grid point 214 (106/125) ======================= q-point: ( 0.56 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.920 0.790 7.488) 7.585 1.630 ( 1.249 7.639 3.943) 8.687 1.688 ( -1.182 0.378 -3.893) 4.087 2.257 ( 3.616 -4.931 0.500) 6.135 2.482 ( -0.900 -2.137 -1.631) 2.835 2.551 ( -1.763 -2.262 0.821) 2.983 3.295 ( 0.279 0.713 1.260) 1.474 3.510 ( 1.147 -1.310 7.749) 7.942 3.682 ( 0.717 0.885 0.115) 1.145 3.816 ( -2.880 7.862 -7.294) 11.105 4.160 ( -0.326 1.176 -0.312) 1.260 4.419 ( -0.690 5.529 -0.042) 5.572 4.626 ( 0.407 -2.769 -2.714) 3.898 5.097 ( 6.323 -2.256 3.043) 7.371 5.171 ( 0.538 6.698 -9.653) 11.761 5.305 ( -6.889 5.411 5.410) 10.296 5.686 ( 2.839 12.354 -2.640) 12.947 6.213 ( -0.879 -13.867 -1.163) 13.943 6.467 ( 3.593 1.305 0.185) 3.827 6.653 ( -4.037 -12.462 2.379) 13.314 6.773 ( 2.568 -6.787 6.616) 9.819 7.010 ( -2.962 -8.689 1.463) 9.296 7.216 ( 0.227 0.029 -2.653) 2.663 7.724 ( 1.103 4.039 -4.572) 6.200 7.990 ( -1.843 1.400 -1.795) 2.929 8.202 ( 0.613 5.457 0.159) 5.494 8.526 ( 1.504 -2.589 -0.246) 3.004 8.715 ( 0.010 -0.760 -0.485) 0.902 8.906 ( 0.162 -4.005 2.615) 4.786 9.293 ( -0.418 4.003 -0.115) 4.026 9.545 ( -1.067 -3.020 0.428) 3.231 9.718 ( 1.716 -0.983 1.661) 2.583 9.956 ( -1.676 -2.903 0.189) 3.357 10.241 ( 4.824 3.067 1.254) 5.852 10.284 ( -4.595 3.329 -4.050) 6.971 10.675 ( -1.188 -2.912 1.347) 3.421 10.867 ( 4.089 -3.771 3.315) 6.475 11.086 ( -0.193 -5.529 2.093) 5.916 11.185 ( -2.481 2.334 -4.988) 6.041 11.707 ( 0.511 2.730 0.653) 2.854 11.876 ( 0.243 10.785 -0.113) 10.789 12.127 ( -0.820 -1.047 -1.561) 2.050 ======================= Grid point 215 (107/125) ======================= q-point: ( 0.67 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 4.265 -2.736 4.862) 7.023 1.608 ( -2.512 -3.110 -1.724) 4.354 1.775 ( 2.424 9.806 1.449) 10.204 2.206 ( -2.183 -4.693 -7.284) 8.936 2.452 ( -4.563 -3.670 3.767) 6.963 2.477 ( 2.017 -3.240 -3.555) 5.216 3.304 ( 0.579 -1.117 -0.217) 1.277 3.546 ( 0.010 -4.436 6.879) 8.185 3.665 ( -0.885 3.165 -4.827) 5.839 3.882 ( 1.029 10.333 1.604) 10.508 4.162 ( -0.138 0.214 -0.100) 0.274 4.447 ( -1.186 2.017 -0.672) 2.435 4.590 ( 0.985 -0.394 -2.448) 2.668 5.046 ( 0.501 -3.575 -9.279) 9.957 5.234 ( -2.805 4.838 7.061) 9.007 5.440 ( 5.692 9.343 4.694) 11.905 5.834 ( 4.505 10.431 -0.809) 11.391 6.068 ( -1.365 -12.634 -1.559) 12.802 6.456 ( -6.300 -1.335 1.925) 6.722 6.556 ( 3.414 -4.121 -3.291) 6.282 6.789 ( 1.025 -4.271 4.816) 6.518 6.862 ( -3.552 -8.336 0.315) 9.067 7.232 ( 1.920 -0.810 -0.381) 2.118 7.669 ( -7.600 2.632 -3.209) 8.659 7.994 ( 0.754 1.878 -1.211) 2.358 8.257 ( 1.684 3.177 -0.561) 3.639 8.539 ( 0.390 -1.213 0.745) 1.476 8.705 ( 2.672 -2.315 -2.369) 4.256 8.872 ( -2.953 -2.063 2.919) 4.637 9.331 ( 0.748 2.594 1.543) 3.109 9.522 ( 0.360 -0.803 -0.026) 0.880 9.760 ( 4.280 -2.545 1.316) 5.150 9.909 ( -2.717 -0.121 0.473) 2.761 10.223 ( -3.273 2.756 -3.806) 5.726 10.341 ( 3.985 1.014 1.637) 4.426 10.630 ( -2.950 -1.514 1.982) 3.863 10.897 ( 0.871 -9.557 1.747) 9.755 10.945 ( -3.594 -0.837 -5.614) 6.718 11.241 ( 2.672 4.571 1.648) 5.545 11.739 ( 0.589 1.893 0.216) 1.995 11.983 ( 1.878 7.851 0.053) 8.073 12.110 ( -0.257 -0.585 0.858) 1.070 ======================= Grid point 216 (108/125) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -3.433 -6.808 -0.898) 7.677 1.656 ( 8.596 -3.350 4.186) 10.131 1.886 ( 0.825 7.212 -3.286) 7.968 2.047 ( -6.432 -1.933 -9.078) 11.292 2.321 ( -4.646 -7.990 3.517) 9.889 2.530 ( 4.588 0.234 0.939) 4.689 3.289 ( 0.831 -3.312 -0.952) 3.545 3.518 ( -2.897 0.450 2.003) 3.551 3.686 ( 0.777 4.142 -1.803) 4.584 3.993 ( 1.167 4.569 3.321) 5.767 4.149 ( -1.105 -1.993 -0.114) 2.282 4.422 ( 0.217 -0.908 -1.623) 1.872 4.636 ( 3.291 2.477 -0.368) 4.135 4.964 ( -1.501 -2.973 -5.644) 6.554 5.298 ( -1.519 5.979 7.091) 9.399 5.582 ( 1.292 7.582 1.073) 7.766 5.907 ( -3.841 -12.589 -1.442) 13.240 6.006 ( 6.443 6.811 0.678) 9.400 6.415 ( 0.542 2.055 1.334) 2.509 6.538 ( 0.730 -2.151 -4.006) 4.605 6.734 ( -1.799 -1.749 -1.916) 3.157 6.844 ( 1.501 -1.433 4.419) 4.882 7.246 ( 2.224 -3.006 0.482) 3.770 7.540 ( -8.508 0.597 -1.054) 8.594 8.008 ( -0.355 1.070 -0.863) 1.420 8.315 ( 3.542 1.526 -0.831) 3.946 8.489 ( -4.340 -2.388 0.563) 4.986 8.716 ( -0.292 -2.042 -0.506) 2.124 8.858 ( 2.280 1.494 0.551) 2.781 9.373 ( 0.744 1.280 1.490) 2.101 9.537 ( 1.013 1.362 0.229) 1.713 9.801 ( 3.754 -5.522 0.724) 6.716 9.883 ( -2.907 4.691 0.321) 5.528 10.194 ( -0.442 1.941 -2.737) 3.384 10.401 ( 3.041 -2.646 1.791) 4.411 10.584 ( -3.828 1.285 2.325) 4.660 10.734 ( -5.028 -6.567 -4.519) 9.425 10.950 ( 1.904 -1.061 -0.623) 2.267 11.329 ( 2.439 2.882 1.501) 4.063 11.764 ( 0.539 1.369 0.179) 1.482 12.064 ( 1.066 5.387 -1.227) 5.627 12.109 ( -0.307 -1.238 2.390) 2.710 ======================= Grid point 221 (109/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 5.246 -1.315 7.618) 9.342 1.599 ( -0.275 3.109 0.113) 3.123 1.759 ( -2.610 3.941 1.895) 5.093 2.098 ( -2.967 -5.960 4.358) 7.957 2.392 ( 4.956 -0.252 6.298) 8.018 2.540 ( 3.639 -2.178 -5.920) 7.283 3.316 ( 0.567 -0.593 -1.845) 2.019 3.518 ( -3.740 -1.859 8.234) 9.233 3.688 ( 1.889 -1.014 -6.534) 6.877 3.932 ( -6.393 7.810 -3.481) 10.676 4.160 ( 0.623 1.981 1.121) 2.360 4.435 ( 1.601 -4.241 1.619) 4.814 4.559 ( -3.749 3.783 -0.083) 5.326 4.890 ( 0.604 0.619 6.580) 6.637 5.353 ( 0.111 3.263 -3.850) 5.047 5.533 ( -1.899 5.057 -4.441) 6.993 5.812 ( -10.000 3.889 -1.077) 10.784 6.076 ( 3.978 -4.253 -2.653) 6.399 6.444 ( 0.828 -2.195 3.887) 4.540 6.580 ( 4.379 -6.795 -5.776) 9.936 6.800 ( -0.298 -6.792 3.033) 7.444 6.903 ( 5.021 -1.861 -3.940) 6.648 7.233 ( 4.793 2.262 -0.409) 5.315 7.588 ( -4.171 -1.793 6.072) 7.582 7.975 ( 0.379 2.087 0.628) 2.212 8.240 ( -1.698 2.774 1.393) 3.538 8.549 ( 1.093 0.818 -0.047) 1.366 8.675 ( 3.679 -2.310 1.451) 4.580 8.936 ( -2.075 -3.375 -5.084) 6.445 9.367 ( -2.451 2.578 -2.408) 4.296 9.531 ( 1.119 -0.667 -0.806) 1.532 9.762 ( 1.804 3.145 1.444) 3.903 9.918 ( -0.129 -3.181 -0.897) 3.307 10.182 ( -3.497 -1.510 0.492) 3.840 10.378 ( 1.823 4.177 -2.186) 5.055 10.639 ( 1.372 -1.752 1.012) 2.445 10.801 ( 1.190 -7.594 9.154) 11.953 10.930 ( 3.587 0.278 -1.097) 3.761 11.289 ( -0.504 3.595 -3.125) 4.790 11.752 ( -2.400 0.820 -1.344) 2.870 11.968 ( -6.256 5.030 1.143) 8.108 12.151 ( 1.685 0.130 -3.236) 3.651 ======================= Grid point 222 (110/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.060 -3.139 2.434) 3.973 1.638 ( -1.484 7.053 3.140) 7.861 1.751 ( -4.211 5.110 -2.369) 7.033 2.083 ( 4.762 -7.319 7.954) 11.811 2.460 ( 3.017 -5.350 -0.188) 6.145 2.548 ( 1.770 1.806 -2.910) 3.856 3.315 ( -0.228 0.561 0.375) 0.712 3.501 ( -1.334 -3.221 8.282) 8.985 3.665 ( 0.756 -0.475 -5.302) 5.377 3.903 ( -3.687 8.554 -4.749) 10.455 4.170 ( -0.338 0.544 -1.500) 1.631 4.445 ( 1.995 -0.008 -1.102) 2.279 4.566 ( -1.278 3.194 3.808) 5.132 4.965 ( 2.331 0.632 9.034) 9.352 5.268 ( -4.668 -0.129 -13.234) 14.034 5.488 ( -4.124 1.194 -5.076) 6.648 5.777 ( -7.655 16.068 7.731) 19.405 6.122 ( 7.241 -9.922 0.991) 12.323 6.398 ( -1.318 -1.915 -2.373) 3.322 6.604 ( 5.088 -5.337 1.093) 7.455 6.753 ( -0.419 -7.204 5.748) 9.226 6.954 ( 5.865 -2.095 -3.019) 6.921 7.298 ( 0.105 -0.458 -1.435) 1.510 7.543 ( 1.862 -2.071 0.004) 2.785 8.002 ( 1.045 1.224 -1.159) 1.984 8.253 ( -2.284 4.978 1.091) 5.584 8.530 ( -0.725 -3.702 -0.827) 3.861 8.731 ( 0.849 1.142 1.169) 1.841 8.863 ( 0.392 -3.421 -0.023) 3.444 9.342 ( -2.188 2.992 -1.782) 4.112 9.542 ( 1.339 -1.138 -0.504) 1.829 9.781 ( -4.277 1.423 2.185) 5.009 9.919 ( 4.653 -3.037 -0.953) 5.637 10.148 ( -0.829 1.610 1.440) 2.313 10.413 ( -1.278 4.503 -3.393) 5.781 10.621 ( 1.823 -4.686 -1.730) 5.318 10.796 ( 0.926 -7.368 8.458) 11.255 10.998 ( 4.342 -0.294 0.241) 4.358 11.280 ( -2.264 2.956 -4.018) 5.478 11.728 ( -1.689 1.912 0.310) 2.570 11.945 ( -4.152 6.752 1.074) 7.999 12.143 ( 0.210 -0.649 -3.499) 3.565 ======================= Grid point 223 (111/125) ======================= q-point: ( 0.56 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -1.714 -6.009 1.544) 6.436 1.693 ( -3.752 1.715 -2.527) 4.838 1.727 ( 0.122 8.871 1.875) 9.068 2.156 ( 5.025 -5.851 6.193) 9.891 2.417 ( 1.379 -4.045 -7.657) 8.769 2.557 ( -0.737 -1.411 -0.875) 1.816 3.316 ( -1.091 0.544 1.110) 1.648 3.509 ( 1.330 -5.058 7.004) 8.741 3.661 ( 0.766 2.316 -2.515) 3.504 3.915 ( -1.783 9.225 -4.234) 10.305 4.157 ( -0.035 -0.127 -1.691) 1.696 4.478 ( 0.529 3.543 -0.686) 3.647 4.591 ( -0.258 -0.152 1.546) 1.575 5.025 ( 0.548 -3.461 -1.288) 3.734 5.190 ( 0.938 7.152 -2.125) 7.520 5.405 ( -3.386 0.487 -1.360) 3.681 5.868 ( -5.047 14.596 5.186) 16.291 6.091 ( 1.177 -11.785 2.815) 12.173 6.404 ( 3.013 2.348 -3.561) 5.222 6.600 ( 0.471 -9.097 4.321) 10.082 6.744 ( 0.867 -2.707 6.538) 7.129 6.979 ( 0.674 -5.569 -0.483) 5.630 7.218 ( -3.624 -0.809 -2.431) 4.438 7.633 ( 8.831 1.952 -5.568) 10.621 8.004 ( -0.380 0.306 -2.741) 2.784 8.267 ( -2.298 4.981 0.078) 5.486 8.484 ( 0.376 -3.312 -0.065) 3.334 8.705 ( -1.208 -3.831 -0.144) 4.020 8.896 ( 1.525 0.796 3.868) 4.234 9.337 ( -1.031 2.752 -0.163) 2.943 9.540 ( -0.310 -1.092 0.314) 1.178 9.723 ( -2.943 -1.511 1.147) 3.501 9.944 ( 1.187 -1.966 0.770) 2.422 10.209 ( 3.454 3.815 1.466) 5.351 10.367 ( -5.113 2.702 -4.125) 7.103 10.623 ( 3.800 -3.180 -2.073) 5.371 10.794 ( 2.112 -7.616 6.493) 10.228 11.034 ( 1.339 -2.401 -2.311) 3.591 11.239 ( -3.146 3.890 -2.227) 5.476 11.736 ( -0.430 2.032 1.420) 2.516 11.972 ( -1.342 6.820 1.158) 7.047 12.117 ( -0.277 -0.396 -2.273) 2.324 ======================= Grid point 224 (112/125) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 1.835 -8.687 -0.035) 8.879 1.608 ( -3.486 -3.772 -2.376) 5.659 1.832 ( 1.405 9.448 -1.798) 9.719 2.176 ( -0.238 -4.319 3.522) 5.578 2.373 ( 2.983 -1.766 -8.941) 9.590 2.485 ( -3.423 -5.743 0.197) 6.689 3.296 ( -1.236 -2.030 0.465) 2.422 3.533 ( 1.862 -3.423 6.467) 7.550 3.690 ( -0.030 4.999 -2.740) 5.701 3.966 ( 0.231 7.369 -0.510) 7.390 4.150 ( 0.441 -0.586 -1.216) 1.420 4.495 ( -2.240 1.280 -2.259) 3.429 4.574 ( -0.641 0.442 0.948) 1.227 4.973 ( 0.125 -0.040 -7.215) 7.216 5.289 ( 2.271 2.471 2.263) 4.048 5.450 ( 5.055 5.777 4.503) 8.900 5.906 ( -1.307 1.907 -3.737) 4.395 6.031 ( -4.513 -0.775 9.813) 10.828 6.452 ( 3.792 -0.235 -3.335) 5.055 6.529 ( -3.773 -4.738 3.903) 7.206 6.793 ( 1.469 0.767 6.113) 6.334 6.852 ( -5.384 -8.574 0.037) 10.124 7.203 ( 0.985 1.801 -2.445) 3.193 7.716 ( 1.945 2.255 -6.931) 7.543 7.987 ( 0.409 1.061 -2.337) 2.599 8.268 ( -0.962 1.756 -1.023) 2.248 8.500 ( 3.251 -0.170 0.419) 3.282 8.649 ( -0.540 -4.427 -0.626) 4.504 8.924 ( -1.706 -0.341 4.377) 4.710 9.356 ( 0.040 1.626 1.986) 2.567 9.526 ( -0.873 0.697 0.496) 1.223 9.694 ( 1.054 -3.150 1.428) 3.616 9.946 ( -0.462 0.858 0.641) 1.166 10.285 ( -4.312 1.497 -3.513) 5.760 10.302 ( 3.035 1.930 1.405) 3.862 10.634 ( 1.287 -1.522 -1.149) 2.301 10.791 ( 2.702 -8.961 2.232) 9.622 10.967 ( -3.411 -0.349 -4.987) 6.052 11.254 ( 0.753 3.304 1.034) 3.543 11.758 ( -0.102 1.398 1.635) 2.153 12.029 ( 0.624 4.896 1.072) 5.051 12.110 ( 0.169 0.777 -0.354) 0.871 ======================= Grid point 225 (113/125) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 2.863 -10.370 -4.788) 11.775 1.515 ( 1.919 -8.978 0.409) 9.189 1.889 ( 0.088 4.885 -8.917) 10.168 2.137 ( -4.439 2.147 4.533) 6.698 2.325 ( -3.145 -6.090 -1.968) 7.131 2.431 ( 5.211 -3.491 -0.989) 6.350 3.252 ( -0.618 -4.537 0.873) 4.661 3.574 ( -0.275 2.294 4.176) 4.772 3.710 ( -0.360 4.779 -3.943) 6.206 4.034 ( 0.854 2.291 2.904) 3.796 4.141 ( -0.174 -1.130 -0.422) 1.219 4.407 ( -2.290 -3.075 -5.024) 6.320 4.619 ( 1.543 2.956 3.355) 4.730 4.944 ( -0.996 2.027 -5.309) 5.770 5.375 ( 3.422 3.523 2.812) 5.659 5.603 ( 3.486 4.506 1.764) 5.964 5.830 ( -1.957 -6.662 -2.126) 7.262 6.060 ( -1.932 5.556 7.952) 9.891 6.454 ( -3.110 -0.613 1.763) 3.627 6.478 ( 1.842 -1.554 -1.769) 2.989 6.732 ( -1.167 -3.906 0.235) 4.083 6.867 ( 0.556 4.157 4.376) 6.062 7.213 ( -0.110 0.670 -1.023) 1.228 7.653 ( -5.983 0.549 -4.592) 7.562 8.007 ( 1.146 1.816 -2.684) 3.437 8.268 ( 1.642 -0.731 -1.346) 2.246 8.526 ( -1.903 -1.576 1.136) 2.720 8.638 ( 4.794 -0.549 -3.718) 6.091 8.897 ( -3.151 -1.272 5.317) 6.310 9.381 ( 0.423 0.318 2.074) 2.141 9.545 ( 0.797 2.734 0.920) 2.993 9.706 ( 2.903 -4.190 2.359) 5.617 9.954 ( -1.167 3.639 -0.960) 3.940 10.225 ( -2.611 1.439 -1.659) 3.412 10.349 ( 1.683 -1.679 1.269) 2.695 10.629 ( -0.239 0.134 -0.972) 1.010 10.707 ( -2.259 -7.968 -2.855) 8.760 10.927 ( -0.246 1.561 -1.867) 2.446 11.311 ( 2.650 0.970 1.322) 3.116 11.775 ( -0.036 0.832 1.470) 1.690 12.079 ( 1.266 0.297 1.291) 1.832 12.129 ( -0.424 3.911 -0.129) 3.936 ======================= Grid point 275 (114/125) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 0.000 -0.000 12.455) 12.455 1.151 ( 0.000 -0.000 12.455) 12.455 1.684 ( 0.000 -0.000 0.363) 0.363 2.124 ( 0.000 -0.000 29.579) 29.579 2.530 ( 0.000 -0.000 2.964) 2.964 2.530 ( 0.000 -0.000 2.964) 2.964 3.151 ( 0.000 -0.000 5.390) 5.390 3.151 ( 0.000 -0.000 5.390) 5.390 3.573 ( -0.000 0.000 -4.614) 4.614 3.997 ( 0.000 -0.000 7.270) 7.270 3.997 ( 0.000 -0.000 7.270) 7.270 4.319 ( -0.000 0.000 -11.916) 11.916 4.710 ( -0.000 0.000 -3.224) 3.224 4.710 ( -0.000 0.000 -3.224) 3.224 5.173 ( -0.000 0.000 -12.853) 12.853 5.558 ( -0.000 0.000 -15.510) 15.510 5.558 ( -0.000 0.000 -15.510) 15.510 6.565 ( 0.000 -0.000 6.473) 6.473 6.756 ( 0.000 -0.000 8.529) 8.529 6.756 ( 0.000 -0.000 8.529) 8.529 7.160 ( -0.000 0.000 -2.585) 2.585 7.160 ( -0.000 0.000 -2.585) 2.585 7.309 ( -0.000 0.000 -0.027) 0.027 7.920 ( 0.000 -0.000 0.443) 0.443 7.920 ( 0.000 -0.000 0.443) 0.443 8.063 ( 0.000 -0.000 3.790) 3.790 8.646 ( -0.000 0.000 -2.126) 2.126 8.646 ( -0.000 0.000 -2.126) 2.126 9.043 ( 0.000 -0.000 0.510) 0.510 9.184 ( -0.000 0.000 -3.857) 3.857 9.676 ( 0.000 -0.000 1.453) 1.453 9.676 ( 0.000 -0.000 1.453) 1.453 9.986 ( 0.000 -0.000 0.617) 0.617 10.180 ( -0.000 0.000 -1.175) 1.175 10.180 ( -0.000 0.000 -1.175) 1.175 10.816 ( -0.000 0.000 -1.054) 1.054 10.867 ( 0.000 -0.000 1.243) 1.243 10.867 ( 0.000 -0.000 1.243) 1.243 11.213 ( 0.000 -0.000 2.211) 2.211 11.661 ( -0.000 0.000 -4.426) 4.426 11.661 ( -0.000 0.000 -4.426) 4.426 12.234 ( -0.000 0.000 -0.642) 0.642 ======================= Grid point 276 (115/125) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 4.241 2.866 9.993) 11.228 1.275 ( 4.793 2.511 8.314) 9.920 1.691 ( 0.592 -0.114 -0.484) 0.773 2.278 ( -1.215 0.765 21.876) 21.923 2.476 ( -3.485 -2.361 4.850) 6.422 2.594 ( 1.944 0.730 0.437) 2.122 3.203 ( 1.103 2.888 4.733) 5.653 3.268 ( 8.902 2.580 3.796) 10.016 3.539 ( -1.226 -0.630 -1.428) 1.985 4.027 ( 0.092 -0.485 5.821) 5.841 4.068 ( -0.302 -0.396 0.127) 0.514 4.224 ( 0.844 0.595 -6.656) 6.735 4.643 ( -3.488 0.652 -0.581) 3.595 4.849 ( 9.992 5.650 -1.272) 11.549 5.078 ( -1.074 -3.176 -8.924) 9.533 5.449 ( 0.027 -0.825 -13.842) 13.867 5.525 ( 2.519 3.859 -15.632) 16.298 6.499 ( -8.635 -3.278 6.449) 11.265 6.727 ( -4.162 -7.813 7.346) 11.504 6.842 ( -0.841 3.514 2.658) 4.486 7.074 ( 0.002 -1.183 0.463) 1.270 7.160 ( -1.424 2.892 -1.507) 3.559 7.348 ( 0.283 -2.613 -1.230) 2.902 7.825 ( -17.155 -11.968 3.841) 21.267 7.916 ( -0.335 0.367 1.357) 1.445 7.984 ( 3.784 3.321 -0.285) 5.043 8.617 ( -1.298 -0.422 -1.197) 1.815 8.686 ( 2.765 2.610 -2.837) 4.744 9.104 ( 4.771 2.225 -0.047) 5.265 9.125 ( -3.478 -1.880 -2.342) 4.595 9.663 ( -0.798 -2.036 1.412) 2.603 9.693 ( -0.583 1.623 0.944) 1.966 10.050 ( 3.840 2.769 0.206) 4.739 10.162 ( -0.795 -1.067 -1.487) 1.996 10.176 ( 1.147 0.027 -0.833) 1.418 10.764 ( -2.506 -3.149 1.442) 4.275 10.902 ( -0.002 2.113 3.305) 3.923 10.914 ( 3.195 1.967 0.155) 3.755 11.321 ( 7.474 4.669 2.406) 9.136 11.566 ( -3.033 -5.171 -5.026) 7.824 11.661 ( 0.406 3.094 -3.956) 5.039 12.211 ( -1.143 -1.532 -1.482) 2.419 ======================= Grid point 277 (116/125) ======================= q-point: ( 0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 5.892 4.153 6.096) 9.441 1.435 ( 6.897 3.500 5.737) 9.630 1.685 ( -0.146 -1.419 -0.968) 1.725 2.307 ( -6.807 1.304 9.208) 11.525 2.450 ( -1.555 -3.669 7.674) 8.647 2.605 ( -0.031 -0.546 -2.065) 2.136 3.277 ( 1.863 2.764 1.789) 3.783 3.494 ( 11.550 4.148 2.069) 12.446 3.528 ( 1.012 1.277 2.912) 3.337 3.898 ( -7.706 -5.108 -8.296) 12.422 4.089 ( 2.043 -0.343 4.842) 5.267 4.331 ( 6.855 4.530 -1.084) 8.288 4.598 ( -3.579 0.886 1.604) 4.021 4.939 ( -3.266 1.112 0.803) 3.542 5.133 ( 13.016 -0.183 -0.406) 13.024 5.392 ( 1.652 0.152 -9.658) 9.799 5.545 ( 5.365 8.489 -15.153) 18.178 6.350 ( -10.277 -3.627 5.771) 12.332 6.575 ( -5.905 -8.745 1.438) 10.649 6.848 ( -1.883 1.981 -1.118) 2.953 7.035 ( -8.883 0.842 -3.108) 9.448 7.163 ( -6.545 0.084 6.602) 9.297 7.221 ( -1.680 -9.857 -3.428) 10.571 7.569 ( -4.275 -4.248 5.124) 7.911 7.931 ( 0.435 0.507 1.589) 1.723 8.094 ( 5.423 3.258 0.035) 6.327 8.577 ( -1.974 -1.384 -0.644) 2.495 8.735 ( 1.789 3.131 -3.246) 4.851 9.028 ( -4.273 -2.504 -1.434) 5.156 9.205 ( 5.362 2.307 -0.560) 5.864 9.621 ( -2.511 -2.226 0.348) 3.374 9.709 ( 0.324 1.054 1.288) 1.695 10.050 ( -4.065 -0.393 -1.486) 4.346 10.183 ( 0.570 4.805 0.149) 4.841 10.210 ( 5.909 -3.212 -1.335) 6.857 10.710 ( -2.032 -3.428 2.623) 4.770 10.916 ( -1.104 1.648 0.798) 2.138 11.000 ( 1.511 3.017 5.279) 6.266 11.319 ( -7.032 -6.801 -0.902) 9.824 11.632 ( 12.754 6.665 -2.423) 14.593 11.687 ( 1.763 2.897 -2.870) 4.443 12.166 ( -0.848 -2.082 -2.102) 3.078 ======================= Grid point 278 (117/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.591 0.358 1.169) 1.358 1.604 ( 2.870 3.067 6.188) 7.479 1.671 ( 4.385 -0.142 -1.524) 4.644 2.248 ( -6.226 1.872 3.691) 7.476 2.409 ( -2.446 -5.701 4.469) 7.646 2.566 ( -2.803 -0.662 -1.562) 3.276 3.313 ( 0.322 0.845 -1.170) 1.478 3.582 ( 2.284 2.520 6.375) 7.226 3.684 ( -6.362 -4.020 -7.391) 10.548 3.764 ( 12.201 4.913 -0.329) 13.157 4.139 ( 1.428 -0.328 2.560) 2.949 4.442 ( 3.986 2.876 -2.955) 5.735 4.573 ( -2.322 1.196 3.582) 4.433 4.934 ( -1.281 -0.028 8.702) 8.796 5.261 ( 6.145 -2.479 -4.549) 8.038 5.392 ( 3.653 0.715 -6.275) 7.296 5.718 ( 11.142 11.415 -6.545) 17.242 6.180 ( -9.829 -3.183 1.755) 10.480 6.457 ( -0.882 -6.002 1.599) 6.273 6.730 ( -12.698 -0.648 -5.858) 13.999 6.860 ( -3.536 -3.135 -3.343) 5.789 7.014 ( -10.010 -0.948 1.101) 10.115 7.180 ( 1.037 -3.370 1.075) 3.686 7.614 ( 4.120 -0.311 7.933) 8.945 7.955 ( 0.652 0.767 2.012) 2.249 8.199 ( 4.212 2.519 0.453) 4.929 8.529 ( -1.264 -2.439 -0.389) 2.775 8.730 ( -3.081 0.127 -1.795) 3.567 8.953 ( -1.340 -0.531 -3.118) 3.435 9.301 ( 4.558 1.948 -1.000) 5.056 9.558 ( -3.015 -0.912 -0.814) 3.253 9.727 ( 0.568 -1.119 0.715) 1.444 9.970 ( -3.650 0.110 -1.346) 3.892 10.232 ( -0.352 5.062 1.569) 5.311 10.269 ( 5.458 -2.955 -1.699) 6.435 10.666 ( -1.716 -2.784 2.217) 3.951 10.912 ( -0.767 -0.145 -1.760) 1.926 11.004 ( -8.972 -1.209 8.987) 12.756 11.203 ( 2.957 -1.382 -4.547) 5.597 11.728 ( 2.110 1.902 -1.883) 3.408 11.874 ( 9.777 5.865 0.302) 11.406 12.127 ( -0.480 -1.640 -1.611) 2.349 ======================= Grid point 285 (118/125) ======================= q-point: ( 0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.108 3.281 7.916) 8.570 1.324 ( -0.033 5.743 5.562) 7.995 1.691 ( -0.276 0.767 -0.640) 1.037 2.388 ( 1.596 -2.500 15.364) 15.648 2.518 ( -1.085 -1.650 5.470) 5.816 2.583 ( -0.014 0.313 -0.125) 0.337 3.221 ( 1.297 1.488 4.147) 4.593 3.290 ( -1.578 8.329 3.221) 9.069 3.535 ( 0.138 -1.093 0.433) 1.184 4.043 ( 0.390 -4.570 -3.353) 5.682 4.083 ( -1.501 1.609 3.303) 3.969 4.187 ( 0.577 3.519 -2.625) 4.428 4.721 ( 7.232 1.518 -1.375) 7.516 4.758 ( -5.435 6.364 1.341) 8.475 5.062 ( -2.136 2.832 -5.378) 6.443 5.354 ( -0.165 -2.839 -11.976) 12.309 5.449 ( 1.585 4.178 -13.437) 14.161 6.556 ( 1.523 -5.625 5.034) 7.701 6.737 ( -3.720 -10.963 2.854) 11.923 6.874 ( 2.380 -1.156 5.710) 6.293 7.044 ( -1.574 -5.995 2.729) 6.772 7.111 ( 2.701 1.069 -2.758) 4.006 7.403 ( -1.430 5.040 -3.162) 6.119 7.827 ( -0.622 -18.772 3.745) 19.152 7.940 ( -1.666 1.199 0.047) 2.054 7.988 ( 2.160 3.080 -0.149) 3.765 8.625 ( -0.277 -1.145 -1.809) 2.159 8.647 ( 1.089 2.132 -1.044) 2.611 9.103 ( -0.184 3.237 -0.312) 3.257 9.113 ( -0.009 -1.932 -1.576) 2.493 9.665 ( -1.086 -2.278 1.339) 2.857 9.700 ( 1.350 0.548 0.677) 1.607 10.046 ( -0.035 3.661 0.395) 3.683 10.139 ( 0.161 -1.687 -0.319) 1.725 10.192 ( -0.636 2.046 -1.631) 2.692 10.777 ( -1.157 -2.734 1.358) 3.265 10.896 ( 0.432 0.876 0.306) 1.024 10.940 ( 1.199 5.069 1.933) 5.556 11.330 ( 0.300 9.634 1.828) 9.810 11.548 ( -2.971 -6.321 -3.925) 8.011 11.633 ( 2.422 1.753 -3.083) 4.295 12.203 ( -0.534 -2.232 -1.010) 2.507 ======================= Grid point 286 (119/125) ======================= q-point: ( 0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 4.589 4.261 5.046) 8.042 1.433 ( 2.971 7.203 2.595) 8.212 1.684 ( -0.718 -0.406 -0.179) 0.844 2.419 ( -1.824 -3.577 3.039) 5.036 2.488 ( -3.072 -2.111 5.714) 6.822 2.589 ( 0.279 -1.006 0.445) 1.134 3.279 ( 1.636 1.761 0.589) 2.475 3.423 ( 5.578 9.264 3.542) 11.379 3.544 ( 0.694 0.843 2.419) 2.654 3.902 ( -5.029 -8.172 -6.118) 11.380 4.102 ( 0.010 1.537 3.209) 3.558 4.284 ( 4.428 6.146 -0.497) 7.592 4.665 ( -3.390 -0.737 -1.977) 3.993 4.975 ( 9.611 9.714 -0.752) 13.685 5.027 ( -3.581 3.041 3.703) 5.982 5.295 ( 3.365 -3.195 -5.010) 6.829 5.470 ( 3.478 8.613 -13.587) 16.459 6.490 ( -5.597 -4.185 2.622) 7.464 6.568 ( -6.261 -13.172 2.181) 14.747 6.835 ( -1.065 -4.318 -0.006) 4.448 7.050 ( 3.768 -6.161 0.378) 7.232 7.184 ( 1.764 4.196 0.874) 4.635 7.275 ( -9.980 -10.244 0.084) 14.302 7.630 ( -6.687 -6.721 1.689) 9.630 7.951 ( 0.787 0.810 0.933) 1.465 8.062 ( 2.723 5.982 -0.477) 6.590 8.590 ( -1.318 -1.457 -0.581) 2.049 8.697 ( 2.891 2.265 -2.491) 4.438 9.044 ( -2.575 -4.872 -0.718) 5.557 9.172 ( 2.593 4.727 0.085) 5.392 9.628 ( -1.293 -3.329 1.161) 3.756 9.724 ( 0.313 1.555 -0.192) 1.598 10.073 ( 1.941 -5.305 -0.116) 5.650 10.118 ( -2.152 3.706 -1.100) 4.425 10.220 ( 1.875 3.744 0.270) 4.196 10.728 ( -2.423 -3.429 2.698) 4.990 10.920 ( 1.122 1.124 -1.394) 2.113 11.029 ( 2.427 5.357 2.054) 6.230 11.357 ( -6.505 -10.749 1.231) 12.624 11.540 ( 7.896 13.025 -1.197) 15.278 11.666 ( 1.704 2.590 -3.115) 4.394 12.159 ( -1.347 -2.347 -0.232) 2.717 ======================= Grid point 287 (120/125) ======================= q-point: ( 0.67 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 2.122 6.505 -2.114) 7.162 1.558 ( 6.563 4.366 2.982) 8.428 1.661 ( -1.028 -1.217 2.199) 2.716 2.313 ( -4.283 -5.027 -6.451) 9.232 2.454 ( -3.764 -2.570 7.860) 9.086 2.576 ( -0.153 -1.708 -0.252) 1.733 3.308 ( 0.702 1.256 -1.267) 1.917 3.572 ( 2.384 2.368 -0.448) 3.390 3.657 ( 5.214 4.750 -1.488) 7.208 3.726 ( -2.582 -3.012 3.222) 5.111 4.137 ( 0.771 0.808 2.103) 2.381 4.396 ( 4.001 4.266 -1.021) 5.937 4.612 ( -1.020 -1.523 -0.450) 1.887 5.043 ( -3.177 3.463 11.436) 12.364 5.099 ( 4.581 1.098 -10.989) 11.956 5.367 ( 2.829 1.282 4.653) 5.594 5.603 ( 10.942 14.041 -10.708) 20.773 6.329 ( -11.707 -7.335 2.271) 14.000 6.402 ( -0.444 -6.064 -0.054) 6.081 6.771 ( -1.406 -6.178 -3.626) 7.300 6.936 ( -12.864 -8.991 -4.671) 16.375 7.036 ( 1.086 -5.447 0.651) 5.593 7.242 ( -3.741 2.695 3.049) 5.528 7.570 ( 1.873 -3.007 4.864) 6.018 7.978 ( 0.427 1.060 2.044) 2.342 8.166 ( 3.876 5.218 -0.461) 6.516 8.545 ( -2.660 -1.275 -0.181) 2.956 8.737 ( 1.213 1.324 -2.803) 3.329 8.945 ( -2.769 -4.626 -1.189) 5.521 9.261 ( 3.348 3.722 0.447) 5.026 9.580 ( -1.747 -2.599 0.382) 3.155 9.736 ( -0.732 2.108 -0.611) 2.314 10.008 ( -2.733 -3.548 -0.791) 4.548 10.151 ( 4.086 -0.389 -1.519) 4.376 10.294 ( 0.871 5.331 2.166) 5.820 10.674 ( -1.981 -4.185 2.802) 5.412 10.914 ( -1.578 0.025 -3.822) 4.136 11.122 ( 1.856 -1.475 -5.782) 6.250 11.158 ( -5.620 -3.183 9.205) 11.245 11.700 ( 2.038 2.057 -1.976) 3.506 11.793 ( 8.870 10.160 -0.213) 13.489 12.126 ( -1.025 -1.198 1.046) 1.892 ======================= Grid point 294 (121/125) ======================= q-point: ( 0.44 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -3.968 5.121 4.798) 8.062 1.432 ( -3.547 6.250 3.103) 7.827 1.694 ( 0.207 0.357 -1.369) 1.430 2.355 ( 4.178 -6.478 8.150) 11.218 2.547 ( 2.201 0.315 6.262) 6.645 2.578 ( -1.001 -1.633 -3.367) 3.874 3.260 ( -1.372 1.482 2.834) 3.480 3.453 ( -6.230 10.271 0.390) 12.019 3.533 ( -0.164 -0.213 2.979) 2.991 3.911 ( 4.618 -7.178 -6.646) 10.817 4.119 ( -0.208 1.940 1.146) 2.262 4.276 ( -4.498 6.278 0.455) 7.737 4.632 ( 4.315 -0.949 1.576) 4.691 4.903 ( -4.087 2.838 3.418) 6.036 5.169 ( -6.119 12.449 -5.169) 14.803 5.293 ( -1.409 -1.534 -3.989) 4.500 5.401 ( -1.297 2.566 -10.068) 10.471 6.452 ( 7.405 -6.040 5.307) 10.931 6.632 ( 1.699 -12.881 -3.608) 13.484 6.811 ( 3.483 -3.857 3.706) 6.383 7.050 ( 4.670 -0.361 -1.204) 4.836 7.116 ( -5.377 -6.900 6.358) 10.814 7.346 ( 6.442 -3.272 -4.766) 8.655 7.635 ( 5.098 -7.663 1.340) 9.301 7.961 ( 1.515 2.755 -0.532) 3.189 8.050 ( -4.502 4.974 0.941) 6.775 8.593 ( 1.049 -1.528 -0.745) 1.998 8.677 ( -2.077 1.539 -0.222) 2.594 9.041 ( 2.477 -5.075 -0.481) 5.668 9.179 ( -2.880 5.024 -0.728) 5.837 9.644 ( 1.752 -2.909 -0.553) 3.440 9.705 ( -0.990 0.892 2.019) 2.419 10.079 ( 4.652 -1.016 -0.703) 4.814 10.099 ( -3.666 -1.330 0.787) 3.978 10.242 ( -2.287 4.946 -1.952) 5.789 10.753 ( 1.720 -2.456 0.151) 3.003 10.900 ( -0.370 -0.839 1.220) 1.526 11.002 ( -1.307 4.148 3.871) 5.822 11.383 ( 4.258 -7.111 -0.600) 8.310 11.556 ( -6.704 11.677 -3.440) 13.897 11.640 ( -1.615 2.123 -0.272) 2.681 12.174 ( 0.798 -1.524 -1.922) 2.579 ======================= Grid point 295 (122/125) ======================= q-point: ( 0.56 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -0.617 5.450 3.469) 6.490 1.487 ( 0.666 8.349 0.702) 8.405 1.685 ( -0.192 -0.709 -1.135) 1.352 2.377 ( 1.061 -6.595 1.729) 6.900 2.521 ( -0.627 -2.853 -1.531) 3.298 2.585 ( -0.186 -0.797 1.393) 1.616 3.281 ( 0.230 1.557 1.183) 1.969 3.500 ( -0.481 9.941 1.880) 10.129 3.561 ( 0.398 3.714 1.586) 4.058 3.836 ( -0.415 -9.256 -3.560) 9.925 4.131 ( -0.192 1.674 -0.415) 1.736 4.309 ( -0.039 6.900 1.013) 6.974 4.651 ( -0.171 -2.403 -4.110) 4.764 4.989 ( 2.298 9.716 2.942) 10.408 5.105 ( 1.338 2.600 -5.265) 6.023 5.280 ( -6.429 1.921 8.286) 10.662 5.431 ( 3.824 9.619 -7.323) 12.680 6.445 ( -2.227 -11.329 -5.072) 12.611 6.535 ( 3.813 -8.493 5.516) 10.822 6.833 ( -1.176 -5.427 1.151) 5.671 6.976 ( -3.697 -8.440 4.424) 10.221 7.147 ( 6.302 -1.429 3.756) 7.474 7.268 ( -3.858 -10.972 -4.720) 12.551 7.642 ( 1.083 -0.534 -3.269) 3.485 7.957 ( -1.607 1.162 -1.268) 2.354 8.092 ( 1.047 6.527 0.272) 6.616 8.574 ( 0.356 -2.598 -0.410) 2.654 8.694 ( -0.067 2.732 1.167) 2.972 9.013 ( 0.174 -5.727 0.465) 5.748 9.202 ( -0.054 5.490 -0.199) 5.494 9.617 ( -0.720 -3.883 0.649) 4.003 9.719 ( 1.006 0.909 0.178) 1.368 10.031 ( -1.556 -4.212 0.694) 4.544 10.181 ( 3.493 4.253 0.976) 5.589 10.211 ( -2.502 2.415 -2.147) 4.087 10.736 ( -0.338 -3.166 0.142) 3.187 10.903 ( 0.658 -0.012 0.671) 0.940 11.062 ( 0.402 5.849 0.359) 5.873 11.309 ( -0.746 -12.995 -1.023) 13.057 11.611 ( -0.331 14.547 0.634) 14.564 11.665 ( 0.512 4.441 -0.850) 4.550 12.151 ( -0.223 -2.129 -0.361) 2.171 ======================= Grid point 296 (123/125) ======================= q-point: (-0.33 -0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 3.419 4.940 0.879) 6.072 1.586 ( 1.300 7.901 -3.347) 8.679 1.670 ( 0.287 -1.029 2.447) 2.671 2.269 ( -3.780 -6.958 -7.823) 11.131 2.510 ( 1.743 -2.550 2.494) 3.970 2.547 ( -2.523 -2.966 -0.368) 3.911 3.302 ( 0.568 1.166 -0.449) 1.373 3.568 ( 0.048 2.863 -2.880) 4.062 3.660 ( 0.722 7.044 -0.904) 7.139 3.738 ( 0.783 -3.489 6.252) 7.202 4.147 ( 0.510 1.416 0.122) 1.510 4.391 ( 1.910 5.044 1.379) 5.567 4.588 ( -0.916 -2.247 -4.256) 4.899 4.996 ( 1.374 1.278 -10.969) 11.129 5.243 ( -6.530 2.357 11.369) 13.321 5.332 ( 10.151 6.346 9.286) 15.151 5.558 ( 3.557 14.819 -6.547) 16.587 6.281 ( -1.171 -12.027 -3.701) 12.638 6.496 ( -6.290 -3.574 3.493) 8.034 6.706 ( -2.581 -8.848 0.057) 9.217 6.919 ( 0.059 -8.263 0.161) 8.265 7.030 ( -6.756 -10.031 -1.373) 12.172 7.257 ( 4.471 -0.698 2.904) 5.377 7.600 ( -4.086 1.662 -3.172) 5.434 7.966 ( 1.872 0.737 -0.290) 2.033 8.171 ( 1.961 5.809 -0.641) 6.165 8.562 ( 0.004 -1.282 0.328) 1.324 8.715 ( 0.465 0.917 -0.401) 1.103 8.946 ( -2.841 -4.893 0.788) 5.713 9.267 ( 1.678 4.895 1.013) 5.273 9.573 ( -0.778 -3.735 0.975) 3.938 9.752 ( 1.452 2.266 -1.158) 2.930 9.974 ( -0.738 -5.486 0.930) 5.613 10.156 ( -3.032 2.664 -2.100) 4.549 10.308 ( 4.219 3.692 2.173) 6.013 10.689 ( -2.234 -3.466 1.323) 4.330 10.913 ( -0.402 0.277 -2.754) 2.797 11.058 ( -1.703 -3.919 -7.304) 8.462 11.215 ( 0.390 -3.335 7.223) 7.965 11.693 ( 0.659 2.989 -0.178) 3.066 11.792 ( 4.198 12.575 -0.232) 13.259 12.137 ( -0.158 -1.193 2.103) 2.423 ======================= Grid point 367 (124/125) ======================= q-point: ( 0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 -0.000 4.159) 4.159 1.293 ( 0.000 -0.000 4.159) 4.159 1.683 ( -0.000 0.000 -0.156) 0.156 2.502 ( 0.000 -0.000 12.487) 12.487 2.566 ( 0.000 -0.000 1.105) 1.105 2.566 ( 0.000 -0.000 1.105) 1.105 3.228 ( 0.000 -0.000 2.763) 2.763 3.228 ( 0.000 -0.000 2.763) 2.763 3.546 ( 0.000 -0.000 0.317) 0.317 4.082 ( 0.000 -0.000 2.507) 2.507 4.082 ( 0.000 -0.000 2.507) 2.507 4.136 ( -0.000 0.000 -7.189) 7.189 4.701 ( 0.000 -0.000 1.139) 1.139 4.701 ( 0.000 -0.000 1.139) 1.139 5.002 ( -0.000 0.000 -5.906) 5.906 5.334 ( -0.000 0.000 -8.555) 8.555 5.334 ( -0.000 0.000 -8.555) 8.555 6.642 ( 0.000 -0.000 2.374) 2.374 6.897 ( 0.000 -0.000 6.886) 6.886 6.897 ( 0.000 -0.000 6.886) 6.886 7.089 ( -0.000 0.000 -4.722) 4.722 7.089 ( -0.000 0.000 -4.722) 4.722 7.313 ( 0.000 -0.000 0.215) 0.215 7.929 ( 0.000 -0.000 0.404) 0.404 7.929 ( 0.000 -0.000 0.404) 0.404 8.108 ( 0.000 -0.000 1.375) 1.375 8.617 ( -0.000 0.000 -1.009) 1.009 8.617 ( -0.000 0.000 -1.009) 1.009 9.050 ( 0.000 -0.000 0.237) 0.237 9.136 ( -0.000 0.000 -1.550) 1.550 9.695 ( 0.000 -0.000 0.683) 0.683 9.695 ( 0.000 -0.000 0.683) 0.683 9.991 ( 0.000 -0.000 0.115) 0.115 10.165 ( -0.000 0.000 -0.500) 0.500 10.165 ( -0.000 0.000 -0.500) 0.500 10.807 ( -0.000 0.000 -0.201) 0.201 10.887 ( 0.000 -0.000 0.787) 0.787 10.887 ( 0.000 -0.000 0.787) 0.787 11.237 ( 0.000 -0.000 0.712) 0.712 11.602 ( -0.000 0.000 -2.035) 2.035 11.602 ( -0.000 0.000 -2.035) 2.035 12.226 ( -0.000 0.000 -0.253) 0.253 ======================= Grid point 368 (125/125) ======================= q-point: ( 0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 3.470 2.389 0.673) 4.266 1.357 ( 4.585 2.270 1.766) 5.412 1.686 ( 0.245 0.078 -0.022) 0.258 2.487 ( -4.973 -1.812 2.744) 5.962 2.556 ( -0.678 -1.980 1.620) 2.646 2.591 ( 0.234 0.797 0.275) 0.875 3.254 ( 1.104 1.017 0.619) 1.624 3.314 ( 7.087 3.620 0.900) 8.009 3.546 ( -0.026 0.047 0.477) 0.480 3.998 ( -6.789 -3.938 -1.930) 8.082 4.100 ( 0.996 0.256 1.383) 1.724 4.186 ( 5.474 3.352 -0.494) 6.437 4.674 ( -2.463 -0.580 3.189) 4.071 4.824 ( 9.306 5.120 -3.382) 11.147 5.010 ( 3.032 0.745 1.005) 3.280 5.305 ( -0.758 2.388 -5.940) 6.447 5.312 ( 2.653 -0.619 -1.327) 3.031 6.579 ( -6.295 -3.071 2.327) 7.380 6.782 ( -10.537 -7.821 -1.706) 13.233 6.892 ( -2.207 -0.904 3.478) 4.217 7.065 ( -2.146 2.140 -1.210) 3.263 7.128 ( 4.698 0.436 -2.686) 5.429 7.351 ( 0.845 0.190 2.097) 2.269 7.860 ( -16.791 -10.988 0.118) 20.067 7.937 ( -0.907 1.581 0.648) 1.934 7.982 ( 4.544 1.752 0.261) 4.877 8.607 ( -0.870 -0.530 0.185) 1.035 8.648 ( 2.306 1.560 -1.243) 3.049 9.099 ( -1.968 -1.123 -0.441) 2.309 9.104 ( 3.347 1.855 0.030) 3.827 9.678 ( -1.824 -1.340 0.090) 2.265 9.703 ( 0.379 0.539 0.294) 0.722 10.051 ( 3.421 2.322 -0.137) 4.137 10.142 ( -0.945 -1.081 -0.738) 1.615 10.172 ( 0.937 0.645 0.468) 1.230 10.785 ( -1.773 -1.357 0.556) 2.301 10.898 ( 0.610 0.391 -0.371) 0.814 10.954 ( 4.592 3.100 0.903) 5.614 11.345 ( 9.943 5.832 0.223) 11.529 11.514 ( -6.993 -4.801 -0.494) 8.497 11.614 ( 1.568 1.485 -1.043) 2.398 12.197 ( -2.188 -1.390 -0.217) 2.601 =================== 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 3/30618 10.0 133.457 133.457 487.378 -0.000 -0.000 -0.000 3/30618 20.0 31.854 31.854 82.385 -0.000 -0.000 -0.000 3/30618 30.0 16.354 16.354 38.563 -0.000 -0.000 -0.000 3/30618 40.0 10.393 10.393 23.877 -0.000 -0.000 -0.000 3/30618 50.0 7.331 7.331 16.628 -0.000 -0.000 -0.000 3/30618 60.0 5.527 5.527 12.386 -0.000 -0.000 -0.000 3/30618 70.0 4.368 4.368 9.662 -0.000 -0.000 -0.000 3/30618 80.0 3.577 3.577 7.806 -0.000 -0.000 -0.000 3/30618 90.0 3.013 3.013 6.488 -0.000 -0.000 -0.000 3/30618 100.0 2.594 2.594 5.518 -0.000 -0.000 -0.000 3/30618 110.0 2.274 2.274 4.783 -0.000 -0.000 -0.000 3/30618 120.0 2.022 2.022 4.212 -0.000 -0.000 -0.000 3/30618 130.0 1.821 1.821 3.759 -0.000 -0.000 -0.000 3/30618 140.0 1.656 1.656 3.392 -0.000 -0.000 -0.000 3/30618 150.0 1.518 1.518 3.090 -0.000 -0.000 -0.000 3/30618 160.0 1.402 1.402 2.837 -0.000 -0.000 -0.000 3/30618 170.0 1.303 1.303 2.623 -0.000 -0.000 -0.000 3/30618 180.0 1.218 1.218 2.440 -0.000 -0.000 -0.000 3/30618 190.0 1.143 1.143 2.280 -0.000 -0.000 -0.000 3/30618 200.0 1.077 1.077 2.141 -0.000 -0.000 -0.000 3/30618 210.0 1.019 1.019 2.019 -0.000 -0.000 -0.000 3/30618 220.0 0.966 0.966 1.910 -0.000 -0.000 -0.000 3/30618 230.0 0.919 0.919 1.812 -0.000 -0.000 -0.000 3/30618 240.0 0.877 0.877 1.724 -0.000 -0.000 -0.000 3/30618 250.0 0.838 0.838 1.645 -0.000 -0.000 -0.000 3/30618 260.0 0.803 0.803 1.573 -0.000 -0.000 -0.000 3/30618 270.0 0.771 0.771 1.507 -0.000 -0.000 -0.000 3/30618 280.0 0.741 0.741 1.447 -0.000 -0.000 -0.000 3/30618 290.0 0.714 0.714 1.391 -0.000 -0.000 -0.000 3/30618 300.0 0.688 0.688 1.340 -0.000 -0.000 -0.000 3/30618 310.0 0.665 0.665 1.292 -0.000 -0.000 -0.000 3/30618 320.0 0.642 0.642 1.248 -0.000 -0.000 -0.000 3/30618 330.0 0.622 0.622 1.207 -0.000 -0.000 -0.000 3/30618 340.0 0.603 0.603 1.168 -0.000 -0.000 -0.000 3/30618 350.0 0.585 0.585 1.132 -0.000 -0.000 -0.000 3/30618 360.0 0.568 0.568 1.098 -0.000 -0.000 -0.000 3/30618 370.0 0.552 0.552 1.066 -0.000 -0.000 -0.000 3/30618 380.0 0.536 0.536 1.036 -0.000 -0.000 -0.000 3/30618 390.0 0.522 0.522 1.008 -0.000 -0.000 -0.000 3/30618 400.0 0.509 0.509 0.981 -0.000 -0.000 -0.000 3/30618 410.0 0.496 0.496 0.956 -0.000 -0.000 -0.000 3/30618 420.0 0.484 0.484 0.932 -0.000 -0.000 -0.000 3/30618 430.0 0.472 0.472 0.909 -0.000 -0.000 -0.000 3/30618 440.0 0.461 0.461 0.887 -0.000 -0.000 -0.000 3/30618 450.0 0.450 0.450 0.867 -0.000 -0.000 -0.000 3/30618 460.0 0.440 0.440 0.847 -0.000 -0.000 -0.000 3/30618 470.0 0.431 0.431 0.828 -0.000 -0.000 -0.000 3/30618 480.0 0.421 0.421 0.810 -0.000 -0.000 -0.000 3/30618 490.0 0.413 0.413 0.793 -0.000 -0.000 -0.000 3/30618 500.0 0.404 0.404 0.776 -0.000 -0.000 -0.000 3/30618 510.0 0.396 0.396 0.761 -0.000 -0.000 -0.000 3/30618 520.0 0.388 0.388 0.746 -0.000 -0.000 -0.000 3/30618 530.0 0.381 0.381 0.731 -0.000 -0.000 -0.000 3/30618 540.0 0.374 0.374 0.717 -0.000 -0.000 -0.000 3/30618 550.0 0.367 0.367 0.704 -0.000 -0.000 -0.000 3/30618 560.0 0.360 0.360 0.691 -0.000 -0.000 -0.000 3/30618 570.0 0.354 0.354 0.678 -0.000 -0.000 -0.000 3/30618 580.0 0.347 0.347 0.666 -0.000 -0.000 -0.000 3/30618 590.0 0.341 0.341 0.654 -0.000 -0.000 -0.000 3/30618 600.0 0.336 0.336 0.643 -0.000 -0.000 -0.000 3/30618 610.0 0.330 0.330 0.632 -0.000 -0.000 -0.000 3/30618 620.0 0.325 0.325 0.622 -0.000 -0.000 -0.000 3/30618 630.0 0.319 0.319 0.612 -0.000 -0.000 -0.000 3/30618 640.0 0.314 0.314 0.602 -0.000 -0.000 -0.000 3/30618 650.0 0.310 0.310 0.593 -0.000 -0.000 -0.000 3/30618 660.0 0.305 0.305 0.583 -0.000 -0.000 -0.000 3/30618 670.0 0.300 0.300 0.575 -0.000 -0.000 -0.000 3/30618 680.0 0.296 0.296 0.566 -0.000 -0.000 -0.000 3/30618 690.0 0.291 0.291 0.558 -0.000 -0.000 -0.000 3/30618 700.0 0.287 0.287 0.549 -0.000 -0.000 -0.000 3/30618 710.0 0.283 0.283 0.542 -0.000 -0.000 -0.000 3/30618 720.0 0.279 0.279 0.534 -0.000 -0.000 -0.000 3/30618 730.0 0.275 0.275 0.526 -0.000 -0.000 -0.000 3/30618 740.0 0.272 0.272 0.519 -0.000 -0.000 -0.000 3/30618 750.0 0.268 0.268 0.512 -0.000 -0.000 -0.000 3/30618 760.0 0.264 0.264 0.505 -0.000 -0.000 -0.000 3/30618 770.0 0.261 0.261 0.499 -0.000 -0.000 -0.000 3/30618 780.0 0.257 0.257 0.492 -0.000 -0.000 -0.000 3/30618 790.0 0.254 0.254 0.486 -0.000 -0.000 -0.000 3/30618 800.0 0.251 0.251 0.480 -0.000 -0.000 -0.000 3/30618 810.0 0.248 0.248 0.474 -0.000 -0.000 -0.000 3/30618 820.0 0.245 0.245 0.468 -0.000 -0.000 -0.000 3/30618 830.0 0.242 0.242 0.462 -0.000 -0.000 -0.000 3/30618 840.0 0.239 0.239 0.457 -0.000 -0.000 -0.000 3/30618 850.0 0.236 0.236 0.451 -0.000 -0.000 -0.000 3/30618 860.0 0.233 0.233 0.446 -0.000 -0.000 -0.000 3/30618 870.0 0.231 0.231 0.441 -0.000 -0.000 -0.000 3/30618 880.0 0.228 0.228 0.436 -0.000 -0.000 -0.000 3/30618 890.0 0.225 0.225 0.431 -0.000 -0.000 -0.000 3/30618 900.0 0.223 0.223 0.426 -0.000 -0.000 -0.000 3/30618 910.0 0.220 0.220 0.421 -0.000 -0.000 -0.000 3/30618 920.0 0.218 0.218 0.416 -0.000 -0.000 -0.000 3/30618 930.0 0.216 0.216 0.412 -0.000 -0.000 -0.000 3/30618 940.0 0.213 0.213 0.407 -0.000 -0.000 -0.000 3/30618 950.0 0.211 0.211 0.403 -0.000 -0.000 -0.000 3/30618 960.0 0.209 0.209 0.399 -0.000 -0.000 -0.000 3/30618 970.0 0.207 0.207 0.395 -0.000 -0.000 -0.000 3/30618 980.0 0.205 0.205 0.391 -0.000 -0.000 -0.000 3/30618 990.0 0.203 0.203 0.387 -0.000 -0.000 -0.000 3/30618 1000.0 0.201 0.201 0.383 -0.000 -0.000 -0.000 3/30618 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:12:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|