----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:36:33]------------------------- 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-3m (166) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.778641410403826 1.604249366278086 9.027898549999991 b -2.778641410403819 1.604249366278086 9.027898549999991 c 0.000000000000003 -3.208498732556178 9.027898549999991 Atomic positions (fractional): *1 H 0.18976661846298 0.18976661846298 0.73308624315643 1.008 2 H 0.18976661846298 0.73308624315643 0.18976661846298 1.008 3 H 0.73308624315643 0.18976661846298 0.18976661846298 1.008 4 H 0.26691375684357 0.81023338153703 0.81023338153703 1.008 5 H 0.81023338153703 0.81023338153703 0.26691375684357 1.008 6 H 0.81023338153703 0.26691375684357 0.81023338153703 1.008 *7 H 0.39421624710287 0.39421624710287 0.83061117199156 1.008 8 H 0.39421624710287 0.83061117199156 0.39421624710287 1.008 9 H 0.60578375289713 0.16938882800844 0.60578375289713 1.008 10 H 0.60578375289713 0.60578375289713 0.16938882800844 1.008 11 H 0.16938882800844 0.60578375289713 0.60578375289713 1.008 12 H 0.83061117199157 0.39421624710287 0.39421624710287 1.008 *13 Li 0.40774927679332 0.40774927679332 0.40774927679332 6.941 14 Li 0.59225072320668 0.59225072320668 0.59225072320668 6.941 *15 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 *16 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 *17 K 0.12692110618287 0.12692110618287 0.12692110618287 39.098 18 K 0.87307889381713 0.87307889381713 0.87307889381713 39.098 *19 K 0.28675922055503 0.28675922055503 0.28675922055503 39.098 20 K 0.71324077944497 0.71324077944497 0.71324077944497 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.557282820807645 0.000000000000000 0.000000000000000 b -2.778641410403822 4.812748098834264 0.000000000000000 c 0.000000000000000 0.000000000000000 27.083695649999999 Atomic positions (fractional): *1 H 0.15222679176885 0.30445358353769 0.03753982669413 1.008 > 1 2 H 0.15222679176885 0.84777320823115 0.03753982669413 1.008 > 2 3 H 0.69554641646231 0.84777320823115 0.03753982669413 1.008 > 3 4 H 0.97112025020436 0.48556012510218 0.29579350663921 1.008 > 4 5 H 0.51443987489782 0.02887974979564 0.29579350663921 1.008 > 5 6 H 0.51443987489782 0.48556012510218 0.29579350663921 1.008 > 6 *7 H 0.18786835837043 0.37573671674087 0.20634788873243 1.008 > 7 8 H 0.18786835837043 0.81213164162957 0.20634788873243 1.008 > 8 9 H 0.47879830829623 0.52120169170377 0.12698544460090 1.008 > 9 10 H 0.47879830829623 0.95759661659247 0.12698544460090 1.008 > 10 11 H 0.04240338340753 0.52120169170377 0.12698544460090 1.008 > 11 12 H 0.62426328325913 0.81213164162957 0.20634788873243 1.008 > 12 13 H 0.81889345843551 0.63778691687103 0.37087316002746 1.008 > 1 14 H 0.81889345843551 0.18110654156449 0.37087316002746 1.008 > 2 15 H 0.36221308312897 0.18110654156449 0.37087316002746 1.008 > 3 16 H 0.63778691687103 0.81889345843551 0.62912683997254 1.008 > 4 17 H 0.18110654156449 0.36221308312897 0.62912683997254 1.008 > 5 18 H 0.18110654156449 0.81889345843551 0.62912683997254 1.008 > 6 19 H 0.85453502503710 0.70907005007420 0.53968122206576 1.008 > 7 20 H 0.85453502503710 0.14546497496290 0.53968122206576 1.008 > 8 21 H 0.14546497496290 0.85453502503710 0.46031877793423 1.008 > 9 22 H 0.14546497496290 0.29092994992580 0.46031877793423 1.008 > 10 23 H 0.70907005007420 0.85453502503710 0.46031877793423 1.008 > 11 24 H 0.29092994992580 0.14546497496290 0.53968122206576 1.008 > 12 25 H 0.48556012510218 0.97112025020436 0.70420649336079 1.008 > 1 26 H 0.48556012510218 0.51443987489782 0.70420649336079 1.008 > 2 27 H 0.02887974979564 0.51443987489782 0.70420649336079 1.008 > 3 28 H 0.30445358353769 0.15222679176885 0.96246017330587 1.008 > 4 29 H 0.84777320823115 0.69554641646231 0.96246017330587 1.008 > 5 30 H 0.84777320823115 0.15222679176885 0.96246017330587 1.008 > 6 31 H 0.52120169170377 0.04240338340753 0.87301455539910 1.008 > 7 32 H 0.52120169170377 0.47879830829623 0.87301455539910 1.008 > 8 33 H 0.81213164162957 0.18786835837043 0.79365211126757 1.008 > 9 34 H 0.81213164162957 0.62426328325913 0.79365211126757 1.008 > 10 35 H 0.37573671674087 0.18786835837043 0.79365211126757 1.008 > 11 36 H 0.95759661659247 0.47879830829623 0.87301455539910 1.008 > 12 *37 Li 0.33333333333333 0.66666666666667 0.07441594345999 6.941 > 13 38 Li 0.33333333333333 0.66666666666667 0.25891738987335 6.941 > 14 39 Li 0.00000000000000 0.00000000000000 0.40774927679332 6.941 > 13 40 Li 0.00000000000000 0.00000000000000 0.59225072320668 6.941 > 14 41 Li 0.66666666666667 0.33333333333333 0.74108261012665 6.941 > 13 42 Li 0.66666666666667 0.33333333333333 0.92558405654001 6.941 > 14 *43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 15 *44 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 16 45 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 15 46 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 16 47 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 15 48 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 16 *49 K 0.00000000000000 0.00000000000000 0.12692110618287 39.098 > 17 50 K 0.66666666666667 0.33333333333333 0.20641222715046 39.098 > 18 *51 K 0.00000000000000 0.00000000000000 0.28675922055503 39.098 > 19 52 K 0.66666666666667 0.33333333333333 0.04657411277830 39.098 > 20 53 K 0.66666666666667 0.33333333333333 0.46025443951620 39.098 > 17 54 K 0.33333333333333 0.66666666666667 0.53974556048380 39.098 > 18 55 K 0.66666666666667 0.33333333333333 0.62009255388837 39.098 > 19 56 K 0.33333333333333 0.66666666666667 0.37990744611163 39.098 > 20 57 K 0.33333333333333 0.66666666666667 0.79358777284954 39.098 > 17 58 K 0.00000000000000 0.00000000000000 0.87307889381713 39.098 > 18 59 K 0.33333333333333 0.66666666666667 0.95342588722170 39.098 > 19 60 K 0.00000000000000 0.00000000000000 0.71324077944497 39.098 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.557282820807645 0.000000000000000 0.000000000000000 b -2.778641410403822 4.812748098834264 0.000000000000000 c 0.000000000000000 0.000000000000000 27.083695649999999 Atomic positions (fractional): *1 H 0.15222679176885 0.30445358353769 0.03753982669413 1.008 > 1 2 H 0.15222679176885 0.84777320823115 0.03753982669413 1.008 > 2 3 H 0.69554641646231 0.84777320823115 0.03753982669413 1.008 > 3 4 H 0.97112025020436 0.48556012510218 0.29579350663921 1.008 > 4 5 H 0.51443987489782 0.02887974979564 0.29579350663921 1.008 > 5 6 H 0.51443987489782 0.48556012510218 0.29579350663921 1.008 > 6 *7 H 0.18786835837043 0.37573671674087 0.20634788873243 1.008 > 7 8 H 0.18786835837043 0.81213164162957 0.20634788873243 1.008 > 8 9 H 0.47879830829623 0.52120169170377 0.12698544460090 1.008 > 9 10 H 0.47879830829623 0.95759661659247 0.12698544460090 1.008 > 10 11 H 0.04240338340753 0.52120169170377 0.12698544460090 1.008 > 11 12 H 0.62426328325913 0.81213164162957 0.20634788873243 1.008 > 12 13 H 0.81889345843551 0.63778691687103 0.37087316002746 1.008 > 1 14 H 0.81889345843551 0.18110654156449 0.37087316002746 1.008 > 2 15 H 0.36221308312897 0.18110654156449 0.37087316002746 1.008 > 3 16 H 0.63778691687103 0.81889345843551 0.62912683997254 1.008 > 4 17 H 0.18110654156449 0.36221308312897 0.62912683997254 1.008 > 5 18 H 0.18110654156449 0.81889345843551 0.62912683997254 1.008 > 6 19 H 0.85453502503710 0.70907005007420 0.53968122206576 1.008 > 7 20 H 0.85453502503710 0.14546497496290 0.53968122206576 1.008 > 8 21 H 0.14546497496290 0.85453502503710 0.46031877793423 1.008 > 9 22 H 0.14546497496290 0.29092994992580 0.46031877793423 1.008 > 10 23 H 0.70907005007420 0.85453502503710 0.46031877793423 1.008 > 11 24 H 0.29092994992580 0.14546497496290 0.53968122206576 1.008 > 12 25 H 0.48556012510218 0.97112025020436 0.70420649336079 1.008 > 1 26 H 0.48556012510218 0.51443987489782 0.70420649336079 1.008 > 2 27 H 0.02887974979564 0.51443987489782 0.70420649336079 1.008 > 3 28 H 0.30445358353769 0.15222679176885 0.96246017330587 1.008 > 4 29 H 0.84777320823115 0.69554641646231 0.96246017330587 1.008 > 5 30 H 0.84777320823115 0.15222679176885 0.96246017330587 1.008 > 6 31 H 0.52120169170377 0.04240338340753 0.87301455539910 1.008 > 7 32 H 0.52120169170377 0.47879830829623 0.87301455539910 1.008 > 8 33 H 0.81213164162957 0.18786835837043 0.79365211126757 1.008 > 9 34 H 0.81213164162957 0.62426328325913 0.79365211126757 1.008 > 10 35 H 0.37573671674087 0.18786835837043 0.79365211126757 1.008 > 11 36 H 0.95759661659247 0.47879830829623 0.87301455539910 1.008 > 12 *37 Li 0.33333333333333 0.66666666666667 0.07441594345999 6.941 > 13 38 Li 0.33333333333333 0.66666666666667 0.25891738987335 6.941 > 14 39 Li 0.00000000000000 0.00000000000000 0.40774927679332 6.941 > 13 40 Li 0.00000000000000 0.00000000000000 0.59225072320668 6.941 > 14 41 Li 0.66666666666667 0.33333333333333 0.74108261012665 6.941 > 13 42 Li 0.66666666666667 0.33333333333333 0.92558405654001 6.941 > 14 *43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 15 *44 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 16 45 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 15 46 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 16 47 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 15 48 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 16 *49 K 0.00000000000000 0.00000000000000 0.12692110618287 39.098 > 17 50 K 0.66666666666667 0.33333333333333 0.20641222715046 39.098 > 18 *51 K 0.00000000000000 0.00000000000000 0.28675922055503 39.098 > 19 52 K 0.66666666666667 0.33333333333333 0.04657411277830 39.098 > 20 53 K 0.66666666666667 0.33333333333333 0.46025443951620 39.098 > 17 54 K 0.33333333333333 0.66666666666667 0.53974556048380 39.098 > 18 55 K 0.66666666666667 0.33333333333333 0.62009255388837 39.098 > 19 56 K 0.33333333333333 0.66666666666667 0.37990744611163 39.098 > 20 57 K 0.33333333333333 0.66666666666667 0.79358777284954 39.098 > 17 58 K 0.00000000000000 0.00000000000000 0.87307889381713 39.098 > 18 59 K 0.33333333333333 0.66666666666667 0.95342588722170 39.098 > 19 60 K 0.00000000000000 0.00000000000000 0.71324077944497 39.098 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4996805 -0.0000000 0.0000000 0.0000000 3.4996805 0.0000000 0.0000000 0.0000000 3.5657501 -------------------------- Born effective charges -------------------------- 1 H -0.6983624 0.0000000 0.0000000 -0.0000000 -1.1037304 -0.2506475 0.0000000 -0.2392465 -0.8555213 2 H -1.0023884 0.1755295 -0.2170671 0.1755295 -0.7997044 0.1253237 -0.2071935 0.1196232 -0.8555213 3 H -1.0023884 -0.1755295 0.2170671 -0.1755295 -0.7997044 0.1253237 0.2071935 0.1196232 -0.8555213 4 H -1.0023884 -0.1755295 0.2170671 -0.1755295 -0.7997044 0.1253237 0.2071935 0.1196232 -0.8555213 5 H -0.6983624 0.0000000 0.0000000 -0.0000000 -1.1037304 -0.2506475 0.0000000 -0.2392465 -0.8555213 6 H -1.0023884 0.1755295 -0.2170671 0.1755295 -0.7997044 0.1253237 -0.2071935 0.1196232 -0.8555213 7 H -0.6589482 0.0000000 -0.0000000 -0.0000000 -0.9290207 0.1683363 0.0000000 0.1080418 -0.9223318 8 H -0.8615025 0.1169448 0.1457835 0.1169448 -0.7264663 -0.0841681 0.0935669 -0.0540209 -0.9223318 9 H -0.8615025 0.1169448 0.1457835 0.1169448 -0.7264663 -0.0841681 0.0935669 -0.0540209 -0.9223318 10 H -0.6589482 0.0000000 -0.0000000 -0.0000000 -0.9290207 0.1683363 0.0000000 0.1080418 -0.9223318 11 H -0.8615025 -0.1169448 -0.1457835 -0.1169448 -0.7264663 -0.0841681 -0.0935669 -0.0540209 -0.9223318 12 H -0.8615025 -0.1169448 -0.1457835 -0.1169448 -0.7264663 -0.0841681 -0.0935669 -0.0540209 -0.9223318 13 Li 0.8841044 -0.0000000 0.0000000 -0.0000000 0.8841044 -0.0000000 0.0000000 0.0000000 1.1802563 14 Li 0.8841044 -0.0000000 0.0000000 -0.0000000 0.8841044 -0.0000000 0.0000000 0.0000000 1.1802563 15 Al 2.2669700 -0.0000000 0.0000000 -0.0000000 2.2669700 -0.0000000 0.0000000 0.0000000 2.0781346 16 Al 1.7649147 -0.0000000 0.0000000 -0.0000000 1.7649147 -0.0000000 0.0000000 0.0000000 2.1482734 17 K 1.0643967 -0.0000000 0.0000000 -0.0000000 1.0643967 -0.0000000 0.0000000 0.0000000 1.0357610 18 K 1.0643967 -0.0000000 0.0000000 -0.0000000 1.0643967 -0.0000000 0.0000000 0.0000000 1.0357610 19 K 1.1206490 -0.0000000 0.0000000 -0.0000000 1.1206490 -0.0000000 0.0000000 0.0000000 1.0043380 20 K 1.1206490 -0.0000000 0.0000000 -0.0000000 1.1206490 -0.0000000 0.0000000 0.0000000 1.0043380 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 180/180 Permutation basis: 6882/6882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 546 Number of blocks in projector: 610 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: 241 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 137 Use standard eigh solver. Tree of FC basis block matrices: - (546, 526), data: False |-- (137, 130), data: True |-- (168, 164), data: True |-- (241, 232), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.338 Solver_block: 200 / 240 - Time: 0.282 Solver_block: 240 / 240 - Time: 0.198 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.947 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 180/180 Permutation basis: 6882/6882 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 546 Number of blocks in projector: 610 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: 241 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 137 Use standard eigh solver. Tree of FC basis block matrices: - (546, 526), data: False |-- (137, 130), data: True |-- (168, 164), data: True |-- (241, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:36:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:36:45]------------------------- 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-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.778641410403826 1.604249366278086 9.027898549999991 b -2.778641410403819 1.604249366278086 9.027898549999991 c 0.000000000000003 -3.208498732556178 9.027898549999991 Atomic positions (fractional): 1 H 0.18976661846298 0.18976661846298 0.73308624315643 1.008 2 H 0.18976661846298 0.73308624315643 0.18976661846298 1.008 3 H 0.73308624315643 0.18976661846298 0.18976661846298 1.008 4 H 0.26691375684357 0.81023338153703 0.81023338153703 1.008 5 H 0.81023338153703 0.81023338153703 0.26691375684357 1.008 6 H 0.81023338153703 0.26691375684357 0.81023338153703 1.008 7 H 0.39421624710287 0.39421624710287 0.83061117199156 1.008 8 H 0.39421624710287 0.83061117199156 0.39421624710287 1.008 9 H 0.60578375289713 0.16938882800844 0.60578375289713 1.008 10 H 0.60578375289713 0.60578375289713 0.16938882800844 1.008 11 H 0.16938882800844 0.60578375289713 0.60578375289713 1.008 12 H 0.83061117199157 0.39421624710287 0.39421624710287 1.008 13 Li 0.40774927679332 0.40774927679332 0.40774927679332 6.941 14 Li 0.59225072320668 0.59225072320668 0.59225072320668 6.941 15 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 17 K 0.12692110618287 0.12692110618287 0.12692110618287 39.098 18 K 0.87307889381713 0.87307889381713 0.87307889381713 39.098 19 K 0.28675922055503 0.28675922055503 0.28675922055503 39.098 20 K 0.71324077944497 0.71324077944497 0.71324077944497 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.557282820807645 0.000000000000000 0.000000000000000 b -2.778641410403822 4.812748098834264 0.000000000000000 c 0.000000000000000 0.000000000000000 27.083695649999999 Atomic positions (fractional): 1 H 0.15222679176885 0.30445358353769 0.03753982669413 1.008 > 1 2 H 0.15222679176885 0.84777320823115 0.03753982669413 1.008 > 2 3 H 0.69554641646231 0.84777320823115 0.03753982669413 1.008 > 3 4 H 0.97112025020436 0.48556012510218 0.29579350663921 1.008 > 4 5 H 0.51443987489782 0.02887974979564 0.29579350663921 1.008 > 5 6 H 0.51443987489782 0.48556012510218 0.29579350663921 1.008 > 6 7 H 0.18786835837043 0.37573671674087 0.20634788873243 1.008 > 7 8 H 0.18786835837043 0.81213164162957 0.20634788873243 1.008 > 8 9 H 0.47879830829623 0.52120169170377 0.12698544460090 1.008 > 9 10 H 0.47879830829623 0.95759661659247 0.12698544460090 1.008 > 10 11 H 0.04240338340753 0.52120169170377 0.12698544460090 1.008 > 11 12 H 0.62426328325913 0.81213164162957 0.20634788873243 1.008 > 12 13 H 0.81889345843551 0.63778691687103 0.37087316002746 1.008 > 1 14 H 0.81889345843551 0.18110654156449 0.37087316002746 1.008 > 2 15 H 0.36221308312897 0.18110654156449 0.37087316002746 1.008 > 3 16 H 0.63778691687103 0.81889345843551 0.62912683997254 1.008 > 4 17 H 0.18110654156449 0.36221308312897 0.62912683997254 1.008 > 5 18 H 0.18110654156449 0.81889345843551 0.62912683997254 1.008 > 6 19 H 0.85453502503710 0.70907005007420 0.53968122206576 1.008 > 7 20 H 0.85453502503710 0.14546497496290 0.53968122206576 1.008 > 8 21 H 0.14546497496290 0.85453502503710 0.46031877793423 1.008 > 9 22 H 0.14546497496290 0.29092994992580 0.46031877793423 1.008 > 10 23 H 0.70907005007420 0.85453502503710 0.46031877793423 1.008 > 11 24 H 0.29092994992580 0.14546497496290 0.53968122206576 1.008 > 12 25 H 0.48556012510218 0.97112025020436 0.70420649336079 1.008 > 1 26 H 0.48556012510218 0.51443987489782 0.70420649336079 1.008 > 2 27 H 0.02887974979564 0.51443987489782 0.70420649336079 1.008 > 3 28 H 0.30445358353769 0.15222679176885 0.96246017330587 1.008 > 4 29 H 0.84777320823115 0.69554641646231 0.96246017330587 1.008 > 5 30 H 0.84777320823115 0.15222679176885 0.96246017330587 1.008 > 6 31 H 0.52120169170377 0.04240338340753 0.87301455539910 1.008 > 7 32 H 0.52120169170377 0.47879830829623 0.87301455539910 1.008 > 8 33 H 0.81213164162957 0.18786835837043 0.79365211126757 1.008 > 9 34 H 0.81213164162957 0.62426328325913 0.79365211126757 1.008 > 10 35 H 0.37573671674087 0.18786835837043 0.79365211126757 1.008 > 11 36 H 0.95759661659247 0.47879830829623 0.87301455539910 1.008 > 12 37 Li 0.33333333333333 0.66666666666667 0.07441594345999 6.941 > 37 38 Li 0.33333333333333 0.66666666666667 0.25891738987335 6.941 > 38 39 Li 0.00000000000000 0.00000000000000 0.40774927679332 6.941 > 37 40 Li 0.00000000000000 0.00000000000000 0.59225072320668 6.941 > 38 41 Li 0.66666666666667 0.33333333333333 0.74108261012665 6.941 > 37 42 Li 0.66666666666667 0.33333333333333 0.92558405654001 6.941 > 38 43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 43 44 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 44 45 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 43 46 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 44 47 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 43 48 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 44 49 K 0.00000000000000 0.00000000000000 0.12692110618287 39.098 > 49 50 K 0.66666666666667 0.33333333333333 0.20641222715046 39.098 > 50 51 K 0.00000000000000 0.00000000000000 0.28675922055503 39.098 > 51 52 K 0.66666666666667 0.33333333333333 0.04657411277830 39.098 > 52 53 K 0.66666666666667 0.33333333333333 0.46025443951620 39.098 > 49 54 K 0.33333333333333 0.66666666666667 0.53974556048380 39.098 > 50 55 K 0.66666666666667 0.33333333333333 0.62009255388837 39.098 > 51 56 K 0.33333333333333 0.66666666666667 0.37990744611163 39.098 > 52 57 K 0.33333333333333 0.66666666666667 0.79358777284954 39.098 > 49 58 K 0.00000000000000 0.00000000000000 0.87307889381713 39.098 > 50 59 K 0.33333333333333 0.66666666666667 0.95342588722170 39.098 > 51 60 K 0.00000000000000 0.00000000000000 0.71324077944497 39.098 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4996805 -0.0000000 0.0000000 0.0000000 3.4996805 0.0000000 0.0000000 0.0000000 3.5657501 -------------------------- Born effective charges -------------------------- 1 H -0.6983624 0.0000000 0.0000000 -0.0000000 -1.1037304 -0.2506475 0.0000000 -0.2392465 -0.8555213 2 H -1.0023884 0.1755295 -0.2170671 0.1755295 -0.7997044 0.1253237 -0.2071935 0.1196232 -0.8555213 3 H -1.0023884 -0.1755295 0.2170671 -0.1755295 -0.7997044 0.1253237 0.2071935 0.1196232 -0.8555213 4 H -1.0023884 -0.1755295 0.2170671 -0.1755295 -0.7997044 0.1253237 0.2071935 0.1196232 -0.8555213 5 H -0.6983624 0.0000000 0.0000000 -0.0000000 -1.1037304 -0.2506475 0.0000000 -0.2392465 -0.8555213 6 H -1.0023884 0.1755295 -0.2170671 0.1755295 -0.7997044 0.1253237 -0.2071935 0.1196232 -0.8555213 7 H -0.6589482 0.0000000 -0.0000000 -0.0000000 -0.9290207 0.1683363 0.0000000 0.1080418 -0.9223318 8 H -0.8615025 0.1169448 0.1457835 0.1169448 -0.7264663 -0.0841681 0.0935669 -0.0540209 -0.9223318 9 H -0.8615025 0.1169448 0.1457835 0.1169448 -0.7264663 -0.0841681 0.0935669 -0.0540209 -0.9223318 10 H -0.6589482 0.0000000 -0.0000000 -0.0000000 -0.9290207 0.1683363 0.0000000 0.1080418 -0.9223318 11 H -0.8615025 -0.1169448 -0.1457835 -0.1169448 -0.7264663 -0.0841681 -0.0935669 -0.0540209 -0.9223318 12 H -0.8615025 -0.1169448 -0.1457835 -0.1169448 -0.7264663 -0.0841681 -0.0935669 -0.0540209 -0.9223318 13 Li 0.8841044 -0.0000000 0.0000000 -0.0000000 0.8841044 -0.0000000 0.0000000 0.0000000 1.1802563 14 Li 0.8841044 -0.0000000 0.0000000 -0.0000000 0.8841044 -0.0000000 0.0000000 0.0000000 1.1802563 15 Al 2.2669700 -0.0000000 0.0000000 -0.0000000 2.2669700 -0.0000000 0.0000000 0.0000000 2.0781346 16 Al 1.7649147 -0.0000000 0.0000000 -0.0000000 1.7649147 -0.0000000 0.0000000 0.0000000 2.1482734 17 K 1.0643967 -0.0000000 0.0000000 -0.0000000 1.0643967 -0.0000000 0.0000000 0.0000000 1.0357610 18 K 1.0643967 -0.0000000 0.0000000 -0.0000000 1.0643967 -0.0000000 0.0000000 0.0000000 1.0357610 19 K 1.1206490 -0.0000000 0.0000000 -0.0000000 1.1206490 -0.0000000 0.0000000 0.0000000 1.0043380 20 K 1.1206490 -0.0000000 0.0000000 -0.0000000 1.1206490 -0.0000000 0.0000000 0.0000000 1.0043380 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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[ 44, 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:36:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:36:52]------------------------- 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-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.778641410403826 1.604249366278086 9.027898549999991 b -2.778641410403819 1.604249366278086 9.027898549999991 c 0.000000000000003 -3.208498732556178 9.027898549999991 Atomic positions (fractional): 1 H 0.18976661846298 0.18976661846298 0.73308624315643 1.008 2 H 0.18976661846298 0.73308624315643 0.18976661846298 1.008 3 H 0.73308624315643 0.18976661846298 0.18976661846298 1.008 4 H 0.26691375684357 0.81023338153703 0.81023338153703 1.008 5 H 0.81023338153703 0.81023338153703 0.26691375684357 1.008 6 H 0.81023338153703 0.26691375684357 0.81023338153703 1.008 7 H 0.39421624710287 0.39421624710287 0.83061117199156 1.008 8 H 0.39421624710287 0.83061117199156 0.39421624710287 1.008 9 H 0.60578375289713 0.16938882800844 0.60578375289713 1.008 10 H 0.60578375289713 0.60578375289713 0.16938882800844 1.008 11 H 0.16938882800844 0.60578375289713 0.60578375289713 1.008 12 H 0.83061117199157 0.39421624710287 0.39421624710287 1.008 13 Li 0.40774927679332 0.40774927679332 0.40774927679332 6.941 14 Li 0.59225072320668 0.59225072320668 0.59225072320668 6.941 15 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 16 Al 0.50000000000000 0.50000000000000 0.50000000000000 26.982 17 K 0.12692110618287 0.12692110618287 0.12692110618287 39.098 18 K 0.87307889381713 0.87307889381713 0.87307889381713 39.098 19 K 0.28675922055503 0.28675922055503 0.28675922055503 39.098 20 K 0.71324077944497 0.71324077944497 0.71324077944497 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.557282820807645 0.000000000000000 0.000000000000000 b -2.778641410403822 4.812748098834264 0.000000000000000 c 0.000000000000000 0.000000000000000 27.083695649999999 Atomic positions (fractional): 1 H 0.15222679176885 0.30445358353769 0.03753982669413 1.008 > 1 2 H 0.15222679176885 0.84777320823115 0.03753982669413 1.008 > 2 3 H 0.69554641646231 0.84777320823115 0.03753982669413 1.008 > 3 4 H 0.97112025020436 0.48556012510218 0.29579350663921 1.008 > 4 5 H 0.51443987489782 0.02887974979564 0.29579350663921 1.008 > 5 6 H 0.51443987489782 0.48556012510218 0.29579350663921 1.008 > 6 7 H 0.18786835837043 0.37573671674087 0.20634788873243 1.008 > 7 8 H 0.18786835837043 0.81213164162957 0.20634788873243 1.008 > 8 9 H 0.47879830829623 0.52120169170377 0.12698544460090 1.008 > 9 10 H 0.47879830829623 0.95759661659247 0.12698544460090 1.008 > 10 11 H 0.04240338340753 0.52120169170377 0.12698544460090 1.008 > 11 12 H 0.62426328325913 0.81213164162957 0.20634788873243 1.008 > 12 13 H 0.81889345843551 0.63778691687103 0.37087316002746 1.008 > 1 14 H 0.81889345843551 0.18110654156449 0.37087316002746 1.008 > 2 15 H 0.36221308312897 0.18110654156449 0.37087316002746 1.008 > 3 16 H 0.63778691687103 0.81889345843551 0.62912683997254 1.008 > 4 17 H 0.18110654156449 0.36221308312897 0.62912683997254 1.008 > 5 18 H 0.18110654156449 0.81889345843551 0.62912683997254 1.008 > 6 19 H 0.85453502503710 0.70907005007420 0.53968122206576 1.008 > 7 20 H 0.85453502503710 0.14546497496290 0.53968122206576 1.008 > 8 21 H 0.14546497496290 0.85453502503710 0.46031877793423 1.008 > 9 22 H 0.14546497496290 0.29092994992580 0.46031877793423 1.008 > 10 23 H 0.70907005007420 0.85453502503710 0.46031877793423 1.008 > 11 24 H 0.29092994992580 0.14546497496290 0.53968122206576 1.008 > 12 25 H 0.48556012510218 0.97112025020436 0.70420649336079 1.008 > 1 26 H 0.48556012510218 0.51443987489782 0.70420649336079 1.008 > 2 27 H 0.02887974979564 0.51443987489782 0.70420649336079 1.008 > 3 28 H 0.30445358353769 0.15222679176885 0.96246017330587 1.008 > 4 29 H 0.84777320823115 0.69554641646231 0.96246017330587 1.008 > 5 30 H 0.84777320823115 0.15222679176885 0.96246017330587 1.008 > 6 31 H 0.52120169170377 0.04240338340753 0.87301455539910 1.008 > 7 32 H 0.52120169170377 0.47879830829623 0.87301455539910 1.008 > 8 33 H 0.81213164162957 0.18786835837043 0.79365211126757 1.008 > 9 34 H 0.81213164162957 0.62426328325913 0.79365211126757 1.008 > 10 35 H 0.37573671674087 0.18786835837043 0.79365211126757 1.008 > 11 36 H 0.95759661659247 0.47879830829623 0.87301455539910 1.008 > 12 37 Li 0.33333333333333 0.66666666666667 0.07441594345999 6.941 > 37 38 Li 0.33333333333333 0.66666666666667 0.25891738987335 6.941 > 38 39 Li 0.00000000000000 0.00000000000000 0.40774927679332 6.941 > 37 40 Li 0.00000000000000 0.00000000000000 0.59225072320668 6.941 > 38 41 Li 0.66666666666667 0.33333333333333 0.74108261012665 6.941 > 37 42 Li 0.66666666666667 0.33333333333333 0.92558405654001 6.941 > 38 43 Al 0.00000000000000 0.00000000000000 0.00000000000000 26.982 > 43 44 Al 0.33333333333333 0.66666666666667 0.16666666666667 26.982 > 44 45 Al 0.66666666666667 0.33333333333333 0.33333333333333 26.982 > 43 46 Al 0.00000000000000 0.00000000000000 0.50000000000000 26.982 > 44 47 Al 0.33333333333333 0.66666666666667 0.66666666666667 26.982 > 43 48 Al 0.66666666666667 0.33333333333333 0.83333333333333 26.982 > 44 49 K 0.00000000000000 0.00000000000000 0.12692110618287 39.098 > 49 50 K 0.66666666666667 0.33333333333333 0.20641222715046 39.098 > 50 51 K 0.00000000000000 0.00000000000000 0.28675922055503 39.098 > 51 52 K 0.66666666666667 0.33333333333333 0.04657411277830 39.098 > 52 53 K 0.66666666666667 0.33333333333333 0.46025443951620 39.098 > 49 54 K 0.33333333333333 0.66666666666667 0.53974556048380 39.098 > 50 55 K 0.66666666666667 0.33333333333333 0.62009255388837 39.098 > 51 56 K 0.33333333333333 0.66666666666667 0.37990744611163 39.098 > 52 57 K 0.33333333333333 0.66666666666667 0.79358777284954 39.098 > 49 58 K 0.00000000000000 0.00000000000000 0.87307889381713 39.098 > 50 59 K 0.33333333333333 0.66666666666667 0.95342588722170 39.098 > 51 60 K 0.00000000000000 0.00000000000000 0.71324077944497 39.098 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4996805 -0.0000000 0.0000000 0.0000000 3.4996805 0.0000000 0.0000000 0.0000000 3.5657501 -------------------------- Born effective charges -------------------------- 1 H -0.6983624 0.0000000 0.0000000 -0.0000000 -1.1037304 -0.2506475 0.0000000 -0.2392465 -0.8555213 2 H -1.0023884 0.1755295 -0.2170671 0.1755295 -0.7997044 0.1253237 -0.2071935 0.1196232 -0.8555213 3 H -1.0023884 -0.1755295 0.2170671 -0.1755295 -0.7997044 0.1253237 0.2071935 0.1196232 -0.8555213 4 H -1.0023884 -0.1755295 0.2170671 -0.1755295 -0.7997044 0.1253237 0.2071935 0.1196232 -0.8555213 5 H -0.6983624 0.0000000 0.0000000 -0.0000000 -1.1037304 -0.2506475 0.0000000 -0.2392465 -0.8555213 6 H -1.0023884 0.1755295 -0.2170671 0.1755295 -0.7997044 0.1253237 -0.2071935 0.1196232 -0.8555213 7 H -0.6589482 0.0000000 -0.0000000 -0.0000000 -0.9290207 0.1683363 0.0000000 0.1080418 -0.9223318 8 H -0.8615025 0.1169448 0.1457835 0.1169448 -0.7264663 -0.0841681 0.0935669 -0.0540209 -0.9223318 9 H -0.8615025 0.1169448 0.1457835 0.1169448 -0.7264663 -0.0841681 0.0935669 -0.0540209 -0.9223318 10 H -0.6589482 0.0000000 -0.0000000 -0.0000000 -0.9290207 0.1683363 0.0000000 0.1080418 -0.9223318 11 H -0.8615025 -0.1169448 -0.1457835 -0.1169448 -0.7264663 -0.0841681 -0.0935669 -0.0540209 -0.9223318 12 H -0.8615025 -0.1169448 -0.1457835 -0.1169448 -0.7264663 -0.0841681 -0.0935669 -0.0540209 -0.9223318 13 Li 0.8841044 -0.0000000 0.0000000 -0.0000000 0.8841044 -0.0000000 0.0000000 0.0000000 1.1802563 14 Li 0.8841044 -0.0000000 0.0000000 -0.0000000 0.8841044 -0.0000000 0.0000000 0.0000000 1.1802563 15 Al 2.2669700 -0.0000000 0.0000000 -0.0000000 2.2669700 -0.0000000 0.0000000 0.0000000 2.0781346 16 Al 1.7649147 -0.0000000 0.0000000 -0.0000000 1.7649147 -0.0000000 0.0000000 0.0000000 2.1482734 17 K 1.0643967 -0.0000000 0.0000000 -0.0000000 1.0643967 -0.0000000 0.0000000 0.0000000 1.0357610 18 K 1.0643967 -0.0000000 0.0000000 -0.0000000 1.0643967 -0.0000000 0.0000000 0.0000000 1.0357610 19 K 1.1206490 -0.0000000 0.0000000 -0.0000000 1.1206490 -0.0000000 0.0000000 0.0000000 1.0043380 20 K 1.1206490 -0.0000000 0.0000000 -0.0000000 1.1206490 -0.0000000 0.0000000 0.0000000 1.0043380 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.67, Number of G-points: 325, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 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 3.090 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.991 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 9.005 ( 0.000 0.000 0.000) 0.000 12.481 ( 0.000 0.000 0.000) 0.000 12.740 ( 0.000 0.000 0.000) 0.000 13.023 ( 0.000 0.000 0.000) 0.000 13.023 ( 0.000 0.000 0.000) 0.000 13.471 ( 0.000 0.000 0.000) 0.000 14.538 ( 0.000 0.000 0.000) 0.000 15.766 ( 0.000 0.000 0.000) 0.000 15.766 ( 0.000 0.000 0.000) 0.000 21.047 ( 0.000 0.000 0.000) 0.000 21.266 ( 0.000 0.000 0.000) 0.000 21.266 ( 0.000 0.000 0.000) 0.000 22.097 ( 0.000 0.000 0.000) 0.000 22.425 ( 0.000 0.000 0.000) 0.000 22.425 ( 0.000 0.000 0.000) 0.000 22.680 ( 0.000 0.000 0.000) 0.000 24.238 ( 0.000 0.000 0.000) 0.000 24.238 ( 0.000 0.000 0.000) 0.000 25.379 ( 0.000 0.000 0.000) 0.000 25.379 ( 0.000 0.000 0.000) 0.000 26.557 ( 0.000 0.000 0.000) 0.000 26.557 ( 0.000 0.000 0.000) 0.000 26.592 ( 0.000 0.000 0.000) 0.000 27.316 ( 0.000 0.000 0.000) 0.000 27.316 ( 0.000 0.000 0.000) 0.000 28.270 ( 0.000 0.000 0.000) 0.000 29.939 ( 0.000 0.000 0.000) 0.000 33.960 ( 0.000 0.000 0.000) 0.000 33.960 ( 0.000 0.000 0.000) 0.000 36.147 ( 0.000 0.000 0.000) 0.000 36.147 ( 0.000 0.000 0.000) 0.000 37.689 ( 0.000 0.000 0.000) 0.000 37.689 ( 0.000 0.000 0.000) 0.000 38.337 ( 0.000 0.000 0.000) 0.000 38.337 ( 0.000 0.000 0.000) 0.000 39.511 ( 0.000 0.000 0.000) 0.000 41.572 ( 0.000 0.000 0.000) 0.000 44.393 ( 0.000 0.000 0.000) 0.000 44.805 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 27.431 15.837 18.669) 36.767 0.865 ( 38.020 21.951 7.048) 44.464 0.919 ( 41.086 23.721 3.692) 47.586 3.134 ( 5.326 3.075 -8.272) 10.308 3.141 ( 5.569 3.216 -7.846) 10.145 3.399 ( 1.273 0.735 6.033) 6.209 3.418 ( 3.170 1.830 6.616) 7.561 3.442 ( -0.331 -0.191 -0.687) 0.787 3.611 ( 2.444 1.411 0.830) 2.942 3.919 ( -0.371 -0.214 -1.461) 1.522 4.221 ( -0.493 -0.285 -0.429) 0.713 4.224 ( -0.228 -0.132 -0.165) 0.311 5.010 ( 0.271 0.157 5.266) 5.276 6.093 ( -1.135 -0.655 0.162) 1.321 6.194 ( -0.792 -0.457 0.109) 0.921 6.339 ( -2.979 -1.720 -0.389) 3.462 6.757 ( -2.639 -1.524 -12.421) 12.789 7.086 ( -4.477 -2.585 2.282) 5.651 8.158 ( 1.448 0.836 -0.289) 1.697 8.166 ( 2.137 1.234 0.287) 2.484 8.976 ( -2.745 -1.585 0.609) 3.228 9.235 ( -2.421 -1.398 -5.883) 6.513 12.460 ( -1.834 -1.059 0.010) 2.118 12.779 ( 3.208 1.852 1.887) 4.157 13.003 ( -1.912 -1.104 1.534) 2.689 13.013 ( -0.868 -0.501 -0.302) 1.047 13.523 ( -1.162 -0.671 18.401) 18.450 14.512 ( -1.963 -1.133 -2.253) 3.196 15.759 ( -0.602 -0.348 0.201) 0.724 15.769 ( 0.438 0.253 -1.034) 1.151 21.065 ( 1.517 0.876 0.740) 1.902 21.280 ( 1.173 0.677 0.092) 1.358 21.762 ( 6.960 4.018 -13.232) 15.481 22.174 ( 1.798 1.038 15.531) 15.669 22.433 ( 0.559 0.323 0.877) 1.089 22.689 ( 0.868 0.501 -0.272) 1.038 23.457 ( 1.946 1.123 11.586) 11.802 24.242 ( 0.715 0.413 -2.185) 2.336 25.365 ( 0.923 0.533 -1.070) 1.510 25.378 ( -0.151 -0.087 0.455) 0.487 26.493 ( -6.423 -3.708 -4.684) 8.772 26.537 ( -1.705 -0.984 -0.454) 2.020 26.568 ( -1.394 -0.805 -1.077) 1.937 27.171 ( -10.540 -6.085 -2.218) 12.371 27.310 ( -0.763 -0.440 1.330) 1.596 28.053 ( 13.957 8.058 -54.277) 56.619 28.406 ( -16.379 -9.457 66.022) 68.678 29.848 ( -8.114 -4.685 0.005) 9.370 33.982 ( 1.356 0.783 4.187) 4.471 34.182 ( 19.575 11.302 -1.048) 22.628 36.100 ( -2.869 -1.657 -8.123) 8.772 36.193 ( 3.486 2.013 4.580) 6.098 37.711 ( 1.203 0.695 5.076) 5.263 38.323 ( -1.077 -0.622 -1.162) 1.702 38.363 ( 2.607 1.505 0.376) 3.034 39.392 ( 5.556 3.208 -50.683) 51.088 40.668 ( -12.567 -7.255 35.482) 38.334 41.451 ( -11.491 -6.635 2.355) 13.476 44.411 ( 1.521 0.878 0.038) 1.757 44.843 ( 3.385 1.954 -0.114) 3.911 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 25.524 14.736 17.794) 34.428 1.693 ( 35.553 20.526 6.528) 41.568 1.805 ( 38.817 22.411 3.235) 44.938 3.260 ( 9.074 5.239 -11.856) 15.823 3.266 ( 7.507 4.334 -10.472) 13.595 3.434 ( 1.057 0.610 -1.871) 2.234 3.450 ( 0.964 0.557 6.833) 6.923 3.540 ( 5.152 2.975 9.279) 11.022 3.699 ( 4.930 2.846 2.309) 6.143 3.904 ( -0.231 -0.133 -2.561) 2.575 4.201 ( -1.246 -0.719 -0.782) 1.638 4.217 ( -0.347 -0.200 -0.217) 0.456 5.044 ( 1.341 0.774 4.164) 4.443 6.057 ( -2.265 -1.308 0.668) 2.699 6.168 ( -1.724 -0.995 0.812) 2.149 6.244 ( -5.297 -3.058 -1.162) 6.226 6.612 ( -7.375 -4.258 -7.796) 11.545 6.960 ( -6.847 -3.953 -1.707) 8.089 8.201 ( 2.592 1.496 -0.618) 3.056 8.233 ( 3.714 2.145 0.345) 4.303 8.894 ( -4.868 -2.810 1.220) 5.752 9.130 ( -5.940 -3.429 -1.593) 7.041 12.406 ( -2.888 -1.667 -0.162) 3.339 12.888 ( 5.798 3.347 3.400) 7.509 12.957 ( -2.734 -1.578 2.381) 3.954 12.985 ( -1.535 -0.886 -0.478) 1.836 13.568 ( 0.925 0.534 8.604) 8.671 14.439 ( -3.683 -2.126 -4.076) 5.891 15.743 ( -0.993 -0.574 0.382) 1.209 15.778 ( 0.744 0.430 -1.717) 1.920 21.114 ( 2.502 1.445 1.306) 3.171 21.314 ( 1.856 1.071 0.057) 2.143 21.892 ( 6.482 3.742 -1.654) 7.665 22.310 ( 6.843 3.951 9.110) 12.060 22.451 ( 0.715 0.413 1.319) 1.556 22.719 ( 2.073 1.197 -0.208) 2.403 23.589 ( 7.977 4.606 3.648) 9.908 24.254 ( 1.296 0.748 -3.821) 4.104 25.375 ( -0.236 -0.137 0.849) 0.891 25.378 ( 0.530 0.306 -3.484) 3.537 26.273 ( -11.093 -6.404 -6.514) 14.370 26.437 ( -12.521 -7.229 -0.112) 14.458 26.481 ( -3.121 -1.802 -0.993) 3.738 26.976 ( -4.403 -2.542 0.721) 5.135 27.293 ( -1.352 -0.781 2.440) 2.897 28.123 ( -0.725 -0.419 -2.431) 2.572 28.303 ( -2.017 -1.165 8.103) 8.431 29.603 ( -13.863 -8.004 0.221) 16.009 34.045 ( 2.555 1.475 7.758) 8.300 34.739 ( 30.165 17.416 -1.910) 34.884 35.976 ( -4.874 -2.814 -13.700) 14.811 36.326 ( 6.604 3.813 8.244) 11.230 37.769 ( 1.909 1.102 8.234) 8.524 38.283 ( -1.947 -1.124 -2.328) 3.236 38.445 ( 4.542 2.622 1.336) 5.412 39.315 ( -1.191 -0.688 -24.458) 24.497 40.453 ( -14.206 -8.202 13.718) 21.384 41.118 ( -18.647 -10.766 0.494) 21.537 44.453 ( 2.218 1.281 -0.007) 2.562 44.942 ( 5.426 3.133 -0.214) 6.270 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 22.370 12.915 16.261) 30.523 2.447 ( 31.341 18.094 5.571) 36.615 2.618 ( 34.356 19.835 2.519) 39.750 3.310 ( -0.736 -0.425 -6.096) 6.155 3.436 ( 10.104 5.833 -10.772) 15.879 3.472 ( 0.953 0.550 2.183) 2.445 3.547 ( 7.661 4.423 -3.205) 9.409 3.689 ( 5.430 3.135 8.243) 10.357 3.823 ( 5.081 2.934 2.549) 6.397 3.906 ( 1.864 1.076 -2.864) 3.583 4.157 ( -2.645 -1.527 -0.998) 3.213 4.208 ( -0.383 -0.221 -0.098) 0.453 5.094 ( 1.904 1.099 4.028) 4.589 5.998 ( -3.655 -2.110 2.387) 4.849 6.111 ( -5.835 -3.369 -3.160) 7.442 6.121 ( -3.074 -1.775 1.210) 3.750 6.395 ( -9.920 -5.727 -6.096) 12.976 6.789 ( -7.727 -4.461 -3.557) 9.605 8.262 ( 3.171 1.831 -0.983) 3.791 8.325 ( 4.515 2.607 0.092) 5.214 8.780 ( -5.800 -3.348 1.753) 6.923 8.974 ( -7.911 -4.567 0.289) 9.139 12.341 ( -2.825 -1.631 -0.339) 3.279 12.905 ( -2.671 -1.542 2.359) 3.883 12.946 ( -1.746 -1.008 -0.716) 2.140 13.046 ( 7.165 4.136 4.492) 9.414 13.615 ( 1.197 0.691 4.998) 5.186 14.329 ( -4.868 -2.811 -5.070) 7.570 15.721 ( -1.053 -0.608 0.472) 1.304 15.789 ( 0.818 0.472 -1.835) 2.063 21.177 ( 2.655 1.533 1.521) 3.423 21.355 ( 1.828 1.055 -0.082) 2.112 22.009 ( 4.180 2.413 0.504) 4.853 22.468 ( 0.424 0.245 1.132) 1.233 22.524 ( 9.426 5.442 10.062) 14.823 22.778 ( 3.234 1.867 0.230) 3.742 23.834 ( 13.757 7.943 0.498) 15.893 24.272 ( 1.547 0.893 -4.393) 4.743 25.328 ( -4.264 -2.462 -9.393) 10.606 25.373 ( -0.250 -0.144 1.050) 1.089 26.023 ( -9.722 -5.613 -4.560) 12.116 26.052 ( -20.307 -11.724 5.543) 24.095 26.400 ( -3.773 -2.179 -1.395) 4.575 26.974 ( 2.744 1.584 -1.960) 3.725 27.269 ( -1.595 -0.921 2.928) 3.459 28.056 ( -4.306 -2.486 8.961) 10.248 28.335 ( 2.617 1.511 -6.289) 6.977 29.276 ( -15.424 -8.905 0.831) 17.829 34.141 ( 3.320 1.917 9.862) 10.581 35.419 ( 31.635 18.264 -2.870) 36.641 35.809 ( -5.598 -3.232 -15.603) 16.889 36.523 ( 8.091 4.671 10.403) 13.983 37.844 ( 2.145 1.238 9.218) 9.545 38.225 ( -2.466 -1.424 -3.515) 4.523 38.564 ( 5.567 3.214 2.902) 7.053 39.171 ( -5.989 -3.458 -15.677) 17.134 40.163 ( -15.046 -8.687 6.714) 18.626 40.688 ( -19.334 -11.163 -1.799) 22.398 44.502 ( 2.154 1.243 -0.032) 2.487 45.063 ( 5.461 3.153 -0.300) 6.313 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 18.139 10.472 14.036) 25.213 3.084 ( 25.285 14.598 4.178) 29.494 3.191 ( 1.197 0.691 -4.123) 4.348 3.337 ( 20.546 11.862 -0.494) 23.729 3.492 ( 0.331 0.191 2.359) 2.390 3.608 ( 7.944 4.587 -6.978) 11.526 3.672 ( 4.491 2.593 -4.129) 6.629 3.818 ( 4.088 2.360 5.197) 7.021 3.917 ( 3.185 1.839 1.144) 3.851 3.991 ( 5.827 3.364 -1.869) 6.983 4.069 ( -5.372 -3.101 -1.088) 6.297 4.198 ( -0.724 -0.418 0.322) 0.896 5.148 ( 1.811 1.046 3.355) 3.953 5.909 ( -5.400 -3.118 4.015) 7.416 5.994 ( -3.177 -1.834 -4.864) 6.093 6.023 ( -6.886 -3.976 0.865) 7.999 6.181 ( -6.630 -3.828 -3.986) 8.631 6.617 ( -6.408 -3.700 -3.738) 8.290 8.327 ( 3.010 1.738 -1.258) 3.696 8.425 ( 4.706 2.717 -0.459) 5.454 8.664 ( -5.141 -2.968 1.949) 6.248 8.800 ( -7.921 -4.573 1.293) 9.237 12.287 ( -1.925 -1.111 -0.325) 2.246 12.860 ( -1.967 -1.136 1.650) 2.808 12.908 ( -1.417 -0.818 -0.524) 1.718 13.216 ( 6.694 3.865 4.262) 8.827 13.651 ( 0.855 0.494 2.746) 2.918 14.202 ( -4.918 -2.839 -4.751) 7.404 15.702 ( -0.785 -0.453 0.395) 0.989 15.800 ( 0.629 0.363 -1.377) 1.557 21.234 ( 1.988 1.147 1.250) 2.613 21.389 ( 1.245 0.719 -0.177) 1.449 22.076 ( 1.906 1.100 0.461) 2.249 22.477 ( 0.121 0.070 0.653) 0.668 22.765 ( 9.011 5.202 9.547) 14.121 22.853 ( 3.177 1.834 0.516) 3.704 24.182 ( 17.635 10.182 0.481) 20.369 24.290 ( 1.280 0.739 -3.551) 3.846 25.124 ( -8.924 -5.152 -17.047) 19.919 25.372 ( -0.211 -0.122 0.899) 0.932 25.571 ( -23.431 -13.528 9.195) 28.575 25.925 ( -1.149 -0.663 -0.249) 1.350 26.317 ( -3.158 -1.823 -1.281) 3.865 27.038 ( 3.300 1.905 -2.784) 4.719 27.245 ( -1.326 -0.766 2.418) 2.862 28.022 ( -1.300 -0.751 6.386) 6.560 28.345 ( 0.028 0.016 -5.213) 5.214 28.973 ( -11.819 -6.824 1.401) 13.719 34.246 ( 3.134 1.809 9.116) 9.808 35.644 ( -4.739 -2.736 -13.111) 14.207 36.052 ( 26.511 15.306 -4.124) 30.888 36.721 ( 6.003 3.466 10.611) 12.675 37.922 ( 2.195 1.267 8.695) 9.057 38.155 ( -2.598 -1.500 -4.729) 5.600 38.698 ( 5.136 2.965 4.968) 7.736 38.954 ( -9.045 -5.222 -11.468) 15.511 39.870 ( -12.635 -7.295 3.679) 15.047 40.311 ( -13.523 -7.808 -3.339) 15.969 44.543 ( 1.544 0.891 -0.010) 1.782 45.166 ( 3.866 2.232 -0.284) 4.474 ======================= Grid point 5 (6/146) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 13.287 7.671 11.248) 19.024 3.045 ( -8.530 -4.925 -8.317) 12.891 3.503 ( 0.108 0.062 0.927) 0.935 3.563 ( 17.149 9.901 2.653) 19.978 3.648 ( 2.642 1.525 -0.567) 3.103 3.716 ( 2.889 1.668 -2.503) 4.171 3.841 ( 11.538 6.661 -0.249) 13.325 3.887 ( -1.720 -0.993 0.124) 1.990 3.907 ( -6.444 -3.720 0.221) 7.444 3.973 ( 1.849 1.068 -0.123) 2.139 4.086 ( 2.509 1.449 -1.782) 3.401 4.165 ( -2.764 -1.596 1.452) 3.507 5.186 ( 0.721 0.416 1.363) 1.597 5.822 ( -2.621 -1.513 1.380) 3.326 5.872 ( -4.794 -2.768 -0.070) 5.536 5.938 ( -1.001 -0.578 -1.782) 2.124 6.090 ( -1.687 -0.974 -1.038) 2.207 6.505 ( -2.574 -1.486 -1.676) 3.412 8.377 ( 1.590 0.918 -0.824) 2.012 8.528 ( 5.009 2.892 -1.126) 5.893 8.582 ( -2.415 -1.394 1.110) 3.001 8.648 ( -6.353 -3.668 1.533) 7.494 12.258 ( -0.665 -0.384 -0.130) 0.779 12.834 ( -0.732 -0.422 0.583) 1.026 12.885 ( -0.546 -0.315 -0.198) 0.661 13.341 ( 3.083 1.780 2.016) 4.091 13.670 ( 0.302 0.174 0.886) 0.952 14.104 ( -2.417 -1.395 -2.201) 3.554 15.691 ( -0.288 -0.166 0.154) 0.367 15.806 ( 0.235 0.136 -0.508) 0.576 21.267 ( 0.735 0.424 0.492) 0.981 21.407 ( 0.428 0.247 -0.096) 0.503 22.102 ( 0.495 0.286 0.171) 0.597 22.480 ( 0.011 0.006 0.203) 0.204 22.906 ( 1.344 0.776 0.267) 1.574 22.943 ( 4.115 2.376 4.224) 6.357 24.301 ( 0.499 0.288 -1.375) 1.491 24.582 ( 16.620 9.595 6.436) 20.241 24.915 ( -1.249 -0.721 -28.130) 28.167 25.109 ( -22.021 -12.714 17.924) 31.110 25.370 ( -0.091 -0.053 0.359) 0.374 25.927 ( 0.400 0.231 0.279) 0.540 26.264 ( -1.239 -0.716 -0.526) 1.525 27.086 ( 1.446 0.835 -1.255) 2.088 27.230 ( -0.522 -0.302 0.941) 1.118 28.028 ( 0.021 0.012 2.458) 2.458 28.316 ( -0.897 -0.518 -2.195) 2.427 28.799 ( -4.173 -2.409 0.765) 4.878 34.322 ( 1.378 0.796 3.960) 4.268 35.535 ( -1.952 -1.127 -5.377) 5.831 36.492 ( 13.119 7.574 -3.955) 15.656 36.822 ( 0.349 0.202 6.713) 6.725 37.996 ( 2.054 1.186 6.780) 7.183 38.083 ( -2.235 -1.290 -5.374) 5.961 38.733 ( -5.082 -2.934 0.458) 5.886 38.821 ( 2.367 1.366 -2.348) 3.603 39.672 ( -5.386 -3.109 1.016) 6.301 40.101 ( -4.676 -2.700 -1.694) 5.659 44.566 ( 0.560 0.324 0.002) 0.647 45.224 ( 1.378 0.796 -0.119) 1.596 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.000 28.242 29.303) 40.697 0.863 ( -0.000 42.677 6.740) 43.206 0.981 ( -0.000 45.405 16.344) 48.257 3.101 ( -0.000 6.390 -13.630) 15.053 3.101 ( -0.000 6.537 -12.909) 14.469 3.427 ( 0.000 1.299 8.825) 8.921 3.438 ( -0.000 -0.371 -0.765) 0.850 3.446 ( 0.000 3.437 10.246) 10.807 3.615 ( 0.000 2.908 1.498) 3.271 3.912 ( -0.000 -0.491 -2.880) 2.922 4.221 ( -0.000 -0.493 -0.463) 0.677 4.221 ( -0.000 -0.324 -0.693) 0.765 5.032 ( 0.000 -1.643 8.713) 8.867 6.090 ( 0.000 -1.509 -0.429) 1.569 6.185 ( -0.000 -1.044 -1.558) 1.875 6.342 ( 0.000 -3.184 0.206) 3.191 6.710 ( -0.000 1.202 -17.778) 17.818 7.094 ( 0.000 -6.105 1.517) 6.291 8.160 ( -0.000 1.799 0.211) 1.811 8.163 ( -0.000 2.308 -0.285) 2.326 8.979 ( 0.000 -3.187 1.255) 3.425 9.208 ( -0.000 -0.196 -9.097) 9.099 12.460 ( 0.000 -2.371 0.548) 2.434 12.787 ( 0.000 3.483 3.495) 4.934 13.004 ( 0.000 -2.187 1.071) 2.435 13.016 ( 0.000 -0.786 0.272) 0.832 13.606 ( 0.000 -8.971 29.834) 31.153 14.500 ( -0.000 -2.333 -4.615) 5.171 15.753 ( -0.000 -0.715 -1.126) 1.334 15.774 ( -0.000 0.851 -0.168) 0.868 21.067 ( 0.000 1.441 1.027) 1.770 21.280 ( -0.000 1.444 0.235) 1.463 21.725 ( -0.000 14.611 -15.871) 21.572 22.202 ( 0.000 -4.431 16.714) 17.292 22.432 ( 0.000 0.539 0.843) 1.000 22.687 ( -0.000 0.920 -0.693) 1.152 23.475 ( 0.000 -4.991 12.916) 13.847 24.255 ( -0.000 1.729 0.359) 1.766 25.373 ( -0.000 -0.356 -0.502) 0.616 25.377 ( 0.000 1.795 1.221) 2.171 26.522 ( 0.000 -6.729 1.382) 6.870 26.541 ( 0.000 -1.845 0.220) 1.858 26.573 ( -0.000 0.253 -0.739) 0.781 27.187 ( 0.000 -11.353 0.427) 11.361 27.303 ( 0.000 -1.356 -0.061) 1.357 27.756 ( -0.000 17.535 -49.642) 52.648 28.717 ( 0.000 -24.070 63.207) 67.635 29.846 ( 0.000 -9.624 -0.373) 9.631 33.963 ( 0.000 0.158 0.510) 0.534 34.213 ( -0.000 23.737 5.058) 24.270 36.141 ( -0.000 -0.469 -0.248) 0.531 36.158 ( -0.000 2.484 -2.941) 3.850 37.686 ( 0.000 -0.379 0.166) 0.414 38.328 ( 0.000 -0.860 -0.170) 0.877 38.353 ( -0.000 2.547 -1.569) 2.992 39.199 ( -0.000 23.299 -66.889) 70.831 40.795 ( 0.000 -25.994 41.381) 48.867 41.479 ( 0.000 -13.716 7.771) 15.764 44.411 ( -0.000 1.761 0.103) 1.764 44.842 ( -0.000 3.901 -0.206) 3.906 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 14.493 23.496 25.947) 37.886 1.486 ( 22.478 34.860 6.751) 42.025 1.630 ( 19.998 39.349 11.848) 45.701 3.164 ( 4.834 8.544 -14.715) 17.689 3.176 ( 5.253 8.818 -13.738) 17.149 3.426 ( -0.175 -0.074 -2.222) 2.230 3.470 ( 0.265 0.610 7.392) 7.422 3.545 ( 2.781 4.383 10.778) 11.963 3.681 ( 2.598 4.682 3.393) 6.339 3.893 ( -0.120 -0.501 -4.089) 4.121 4.209 ( -0.687 -0.501 -0.998) 1.311 4.214 ( -0.030 -0.740 -0.582) 0.942 5.051 ( 0.513 0.065 5.996) 6.018 6.065 ( -0.669 -2.350 -0.200) 2.451 6.165 ( -0.230 -2.346 -1.039) 2.576 6.279 ( -3.200 -4.091 0.099) 5.195 6.625 ( -3.305 -4.134 -10.993) 12.201 6.998 ( -4.044 -6.124 -1.996) 7.606 8.189 ( 1.077 2.656 -0.337) 2.886 8.208 ( 2.188 2.963 0.015) 3.684 8.925 ( -2.563 -4.492 1.715) 5.448 9.151 ( -2.368 -4.215 -3.286) 5.846 12.421 ( -1.585 -3.110 0.101) 3.492 12.864 ( 3.018 4.242 4.182) 6.677 12.976 ( -1.140 -2.600 1.843) 3.385 13.001 ( -1.022 -0.629 0.883) 1.489 13.608 ( -1.145 -2.236 15.166) 15.373 14.440 ( -1.728 -3.383 -6.562) 7.582 15.743 ( -0.065 -0.684 -0.351) 0.772 15.780 ( -0.265 1.292 -0.702) 1.494 21.099 ( 1.640 1.645 0.876) 2.483 21.313 ( 1.356 2.683 0.464) 3.042 21.852 ( 3.762 9.145 -3.137) 10.374 22.260 ( 4.334 0.606 9.129) 10.124 22.464 ( 1.826 2.168 1.368) 3.148 22.700 ( 0.864 1.037 -0.818) 1.578 23.511 ( 5.012 0.483 -0.006) 5.035 24.269 ( -0.785 3.498 -0.711) 3.655 25.366 ( -0.083 -0.064 -0.878) 0.884 25.400 ( -0.569 2.441 1.132) 2.750 26.334 ( -9.607 -10.171 -0.720) 14.009 26.503 ( -5.803 -3.894 -2.162) 7.315 26.548 ( -1.300 -0.927 0.250) 1.616 27.014 ( -5.987 -8.533 3.105) 10.876 27.284 ( 0.165 -2.824 1.957) 3.439 27.919 ( 14.995 2.854 -22.953) 27.565 28.539 ( -15.750 -8.149 30.418) 35.209 29.673 ( -7.079 -13.431 -0.869) 15.208 34.068 ( 7.076 2.369 3.172) 8.108 34.546 ( 10.708 27.351 4.476) 29.712 36.034 ( -7.374 1.791 -9.951) 12.514 36.268 ( 6.617 1.991 5.693) 8.954 37.738 ( 4.979 -1.030 3.878) 6.395 38.302 ( -1.658 -0.442 -1.729) 2.436 38.404 ( 3.314 2.651 -0.613) 4.288 39.222 ( 2.232 8.182 -35.353) 36.356 40.582 ( -8.932 -19.619 17.505) 27.769 41.251 ( -11.934 -16.433 5.645) 21.079 44.441 ( 1.193 2.125 0.067) 2.438 44.910 ( 2.931 5.067 -0.297) 5.861 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 17.266 18.626 22.057) 33.639 2.209 ( 25.868 27.741 6.305) 38.450 2.380 ( 25.238 31.990 7.532) 41.437 3.280 ( 3.336 3.926 -8.885) 10.271 3.325 ( 7.377 9.959 -12.481) 17.589 3.442 ( 3.228 2.829 -3.937) 5.825 3.503 ( 1.510 1.483 2.406) 3.204 3.678 ( 3.950 4.501 9.089) 10.885 3.795 ( 3.766 4.646 3.899) 7.139 3.879 ( 0.788 0.286 -4.590) 4.666 4.179 ( -1.792 -0.801 -1.196) 2.299 4.205 ( 0.101 -0.857 -0.491) 0.993 5.089 ( 1.441 0.520 4.687) 4.931 6.021 ( -1.613 -3.301 0.812) 3.762 6.114 ( -2.022 -4.706 -2.082) 5.529 6.177 ( -4.391 -2.936 0.567) 5.312 6.455 ( -7.149 -6.450 -7.683) 12.318 6.845 ( -6.276 -5.765 -3.403) 9.177 8.241 ( 1.977 3.115 -0.780) 3.771 8.285 ( 3.494 3.134 -0.087) 4.695 8.828 ( -4.210 -5.209 2.049) 7.004 9.031 ( -5.284 -6.196 -0.258) 8.147 12.358 ( -2.121 -3.123 -0.563) 3.817 12.927 ( -1.265 -2.674 3.101) 4.285 12.951 ( -0.048 -0.526 -1.807) 1.883 13.023 ( 3.065 4.902 6.604) 8.777 13.629 ( 0.100 -0.265 8.026) 8.031 14.340 ( -3.047 -4.021 -7.598) 9.120 15.734 ( -0.690 -0.398 1.192) 1.434 15.786 ( -0.054 1.524 -1.483) 2.127 21.152 ( 2.572 1.555 0.425) 3.035 21.371 ( 0.975 4.707 0.482) 4.831 21.971 ( 3.613 3.961 -0.008) 5.361 22.388 ( 5.983 -0.311 7.971) 9.972 22.550 ( 3.064 7.071 2.967) 8.257 22.735 ( 2.979 0.735 -0.540) 3.115 23.651 ( 11.744 2.676 -6.787) 13.826 24.298 ( -0.617 5.991 -0.854) 6.083 25.349 ( -2.264 -0.488 -2.666) 3.532 25.403 ( -2.056 1.907 1.155) 3.033 26.067 ( -8.232 -11.477 -0.925) 14.154 26.233 ( -16.585 -12.523 3.135) 21.017 26.509 ( -4.086 1.923 0.016) 4.516 26.919 ( -0.449 -2.873 -0.672) 2.984 27.274 ( 0.927 -2.706 3.670) 4.653 28.050 ( 6.633 -2.870 -8.461) 11.128 28.358 ( -8.290 -0.538 11.024) 13.804 29.380 ( -10.938 -15.085 -1.046) 18.662 34.212 ( 2.180 8.049 7.677) 11.335 35.077 ( 23.904 19.059 -0.703) 30.580 35.894 ( -8.206 4.879 -11.731) 15.125 36.440 ( 8.970 1.317 9.913) 13.433 37.831 ( 4.633 0.137 6.271) 7.797 38.258 ( -2.731 0.827 -3.424) 4.457 38.503 ( 5.687 2.343 1.127) 6.253 39.167 ( -2.975 1.319 -20.060) 20.322 40.282 ( -10.716 -16.940 4.523) 20.548 40.858 ( -17.368 -16.863 3.955) 24.528 44.485 ( 1.673 1.972 0.001) 2.586 45.019 ( 4.293 4.973 -0.370) 6.580 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 16.016 14.374 18.337) 28.273 2.870 ( 23.370 21.854 5.126) 32.405 3.069 ( 21.852 22.893 4.041) 31.905 3.264 ( -1.266 0.531 -4.907) 5.095 3.487 ( 1.622 0.485 0.540) 1.777 3.514 ( 7.243 8.405 -8.179) 13.784 3.606 ( 5.619 4.918 -6.082) 9.630 3.807 ( 3.498 3.881 6.185) 8.096 3.896 ( 2.377 3.149 1.070) 4.088 3.923 ( 5.094 2.959 -2.346) 6.341 4.121 ( -3.821 -1.399 -1.182) 4.237 4.198 ( 0.127 -0.722 -0.191) 0.758 5.134 ( 1.913 0.206 3.330) 3.846 5.946 ( -3.314 -6.559 2.629) 7.805 6.005 ( -3.446 -3.747 -4.051) 6.506 6.090 ( -4.593 -2.594 0.608) 5.310 6.244 ( -7.699 -5.314 -4.833) 10.530 6.676 ( -6.635 -4.398 -3.266) 8.605 8.302 ( 2.257 3.060 -1.085) 3.954 8.376 ( 4.149 2.757 -0.502) 5.007 8.713 ( -4.520 -5.025 2.125) 7.085 8.871 ( -6.617 -6.621 1.186) 9.435 12.297 ( -1.610 -2.548 -0.976) 3.169 12.884 ( -1.868 -2.312 2.872) 4.133 12.921 ( -1.308 -0.764 -1.538) 2.159 13.174 ( 5.557 5.170 6.005) 9.678 13.654 ( 0.463 -0.014 4.228) 4.253 14.220 ( -3.645 -3.974 -7.330) 9.100 15.721 ( -1.254 0.058 2.101) 2.448 15.797 ( 0.177 1.445 -1.416) 2.031 21.209 ( 2.553 1.100 -0.225) 2.789 21.430 ( -0.664 6.631 0.341) 6.673 22.044 ( 2.804 0.880 -0.719) 3.025 22.470 ( 1.868 0.313 4.207) 4.614 22.709 ( 6.267 4.850 6.082) 9.990 22.810 ( 4.647 1.801 -0.303) 4.993 23.895 ( 18.285 1.851 -9.293) 20.595 24.359 ( -0.711 9.691 0.231) 9.720 25.206 ( -10.828 -3.950 -6.138) 13.059 25.396 ( -1.357 1.569 1.824) 2.763 25.787 ( -18.155 -18.016 8.862) 27.069 25.922 ( -3.083 -4.135 0.922) 5.240 26.457 ( -6.812 6.369 -0.268) 9.329 26.891 ( 3.244 -7.770 -3.932) 9.293 27.299 ( 1.211 1.662 3.605) 4.150 28.046 ( -0.439 -2.773 0.580) 2.867 28.317 ( -0.437 -0.266 -0.439) 0.674 29.058 ( -10.168 -14.027 -0.806) 17.344 34.341 ( -1.174 11.341 8.705) 14.345 35.529 ( 14.397 -0.351 -13.019) 19.413 35.885 ( 5.062 16.785 -0.673) 17.544 36.633 ( 9.468 -1.373 11.472) 14.938 37.931 ( 3.505 2.288 6.436) 7.677 38.207 ( -3.907 2.983 -4.912) 6.950 38.637 ( 6.904 2.313 3.015) 7.881 39.016 ( -8.055 -2.565 -12.177) 14.824 39.960 ( -9.993 -15.012 -2.186) 18.166 40.443 ( -15.546 -13.700 2.792) 20.908 44.529 ( 1.527 1.502 -0.010) 2.142 45.129 ( 3.882 3.829 -0.372) 5.465 ======================= Grid point 16 (11/146) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 12.817 10.398 14.561) 22.010 3.113 ( -7.249 -3.096 -5.972) 9.889 3.404 ( 17.888 15.727 3.416) 24.062 3.496 ( 0.679 -0.699 -0.142) 0.984 3.599 ( 8.925 9.005 0.182) 12.680 3.676 ( 5.106 6.536 -4.341) 9.361 3.724 ( 10.121 8.978 -2.551) 13.768 3.898 ( 1.321 3.158 3.031) 4.572 3.952 ( 1.068 1.111 -0.178) 1.551 4.010 ( -6.873 -1.833 -0.782) 7.156 4.039 ( 4.556 2.570 -1.751) 5.516 4.189 ( -0.904 -0.874 0.716) 1.447 5.170 ( 1.515 -0.665 1.085) 1.978 5.827 ( -2.651 -6.605 0.220) 7.121 5.890 ( -4.289 -7.026 -1.432) 8.355 5.989 ( -4.179 0.872 -0.613) 4.313 6.120 ( -3.182 -1.015 -0.860) 3.449 6.543 ( -4.424 -1.907 -1.483) 5.041 8.360 ( 1.883 2.385 -0.959) 3.187 8.467 ( 4.592 2.109 -1.076) 5.166 8.611 ( -3.302 -3.763 1.581) 5.250 8.711 ( -6.052 -5.672 1.613) 8.450 12.255 ( -0.508 -1.708 -1.024) 2.055 12.847 ( -1.316 -1.514 1.926) 2.781 12.893 ( -0.936 -0.176 -0.940) 1.338 13.316 ( 3.999 3.236 3.954) 6.488 13.670 ( 0.271 -0.135 1.738) 1.764 14.112 ( -2.472 -2.776 -5.233) 6.419 15.709 ( -1.304 0.414 2.095) 2.503 15.808 ( 0.055 1.231 -0.543) 1.347 21.250 ( 1.711 0.398 -0.960) 2.002 21.472 ( -2.704 7.705 0.213) 8.168 22.079 ( 1.861 -0.688 -1.272) 2.357 22.498 ( -0.800 2.096 1.887) 2.931 22.854 ( 6.341 -0.283 3.478) 7.238 22.896 ( 3.319 1.319 -1.327) 3.810 24.192 ( 18.332 -0.631 -5.984) 19.294 24.474 ( 3.130 13.033 -1.676) 13.508 24.937 ( -12.051 -5.158 -7.786) 15.247 25.336 ( -15.147 -13.367 15.613) 25.532 25.416 ( -4.806 0.226 2.481) 5.413 25.901 ( 1.613 -2.055 0.793) 2.730 26.413 ( -8.203 10.865 -0.526) 13.624 26.855 ( 7.550 -15.206 -2.785) 17.205 27.354 ( -0.849 6.356 1.544) 6.595 28.020 ( -0.154 -1.938 0.626) 2.043 28.299 ( -0.040 -1.872 -1.938) 2.695 28.813 ( -4.639 -10.182 -0.737) 11.213 34.432 ( -4.593 12.235 4.462) 13.809 35.540 ( 0.004 -0.565 -7.718) 7.739 36.258 ( 17.556 7.885 -1.185) 19.281 36.769 ( 5.999 -6.087 10.501) 13.539 38.035 ( 2.178 5.640 5.762) 8.352 38.153 ( -5.389 5.258 -5.820) 9.516 38.777 ( 5.405 2.442 3.124) 6.704 38.800 ( -8.801 -3.978 -6.930) 11.887 39.683 ( -5.504 -12.309 -4.821) 14.320 40.151 ( -7.877 -8.126 2.536) 11.598 44.560 ( 0.872 0.857 -0.007) 1.223 45.207 ( 2.179 2.196 -0.237) 3.102 ======================= Grid point 17 (12/146) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.892 ( -12.103 -5.023 -7.788) 15.244 2.989 ( 8.792 6.779 10.753) 15.456 3.492 ( 0.381 -0.939 -1.855) 2.114 3.661 ( 0.161 0.710 -0.743) 1.041 3.723 ( -4.274 0.222 -0.494) 4.308 3.747 ( 0.578 3.843 0.078) 3.887 3.835 ( 0.436 3.223 0.286) 3.265 3.923 ( -1.950 1.547 -0.024) 2.490 3.932 ( -1.803 2.186 -0.657) 2.908 4.004 ( -0.718 1.982 -0.198) 2.117 4.099 ( 2.137 1.606 0.001) 2.673 4.142 ( -1.740 -1.780 0.943) 2.662 5.175 ( 0.414 -1.420 -1.476) 2.090 5.766 ( 1.762 -3.539 -1.726) 4.313 5.804 ( 2.453 -3.368 -0.206) 4.171 5.968 ( -1.254 2.783 1.283) 3.311 6.091 ( -0.260 0.794 0.913) 1.238 6.501 ( 0.059 0.963 1.461) 1.751 8.394 ( -0.021 0.924 0.353) 0.989 8.557 ( 2.101 -0.487 -0.871) 2.325 8.559 ( 1.085 -0.968 -0.446) 1.521 8.589 ( -2.017 -2.121 0.853) 3.049 12.242 ( 0.767 -0.853 -0.779) 1.387 12.828 ( -0.132 -0.738 0.628) 0.978 12.884 ( -0.057 0.542 -0.255) 0.602 13.365 ( -1.190 -0.094 0.228) 1.215 13.671 ( -0.279 -0.344 -0.073) 0.449 14.077 ( 1.694 -0.191 -1.131) 2.045 15.702 ( -0.877 0.570 1.540) 1.861 15.817 ( -0.348 0.973 0.536) 1.164 21.263 ( 0.341 -0.297 -1.586) 1.649 21.487 ( -4.378 7.519 0.162) 8.702 22.088 ( 1.025 -1.282 -1.473) 2.205 22.501 ( -1.748 2.171 0.591) 2.849 22.902 ( -0.427 -2.362 -3.380) 4.145 22.927 ( 1.995 -1.860 -0.758) 2.831 24.338 ( 1.087 -1.041 -1.139) 1.887 24.666 ( -6.340 -4.937 -18.671) 20.327 24.767 ( 15.854 5.712 5.434) 17.706 25.081 ( -8.557 -2.989 24.784) 26.389 25.405 ( -2.093 3.169 0.461) 3.826 25.907 ( 1.140 -2.445 -0.180) 2.704 26.395 ( -7.292 12.842 -0.638) 14.781 26.846 ( 10.676 -16.887 0.113) 19.979 27.378 ( -4.279 6.492 -0.772) 7.813 28.003 ( 0.231 -1.441 -2.296) 2.720 28.290 ( 1.937 -1.641 0.586) 2.605 28.722 ( 2.965 -5.186 -1.568) 6.176 34.440 ( -8.149 11.082 -3.410) 14.172 35.552 ( 1.291 2.692 4.776) 5.632 36.469 ( 5.793 -6.841 -2.405) 9.281 36.770 ( 0.502 -8.968 4.337) 9.974 38.080 ( -7.561 5.314 -6.296) 11.183 38.139 ( -0.366 8.290 5.425) 9.914 38.683 ( 1.090 0.156 -4.890) 5.012 38.846 ( -0.306 -0.052 3.034) 3.050 39.564 ( 4.760 -6.237 -4.511) 9.050 40.057 ( 1.474 -2.945 3.696) 4.950 44.571 ( -0.111 0.192 -0.020) 0.223 45.236 ( -0.248 0.559 -0.013) 0.611 ======================= Grid point 18 (13/146) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -17.616 -6.594 -9.239) 20.956 3.182 ( 4.865 3.856 7.328) 9.604 3.374 ( -23.484 -7.657 -2.527) 24.830 3.480 ( 0.154 -0.878 -2.979) 3.109 3.596 ( -14.979 -4.047 -0.208) 15.518 3.719 ( -5.924 -0.432 4.091) 7.212 3.747 ( -8.985 -3.010 1.469) 9.589 3.864 ( -4.866 -0.477 -3.620) 6.084 3.950 ( -2.477 -0.588 -0.486) 2.592 4.019 ( 5.322 5.002 0.964) 7.367 4.056 ( -4.419 -2.532 1.550) 5.324 4.182 ( 1.690 0.753 -0.695) 1.976 5.148 ( -0.909 -1.576 -2.882) 3.408 5.810 ( 6.343 -0.505 -2.748) 6.931 5.903 ( 8.983 0.957 0.607) 9.055 6.004 ( 1.356 3.305 2.305) 4.251 6.135 ( 3.670 2.116 2.060) 4.711 6.568 ( 4.615 2.745 3.406) 6.359 8.372 ( -2.925 -0.368 1.415) 3.270 8.475 ( -4.294 -3.064 0.363) 5.287 8.594 ( 4.562 0.867 -1.651) 4.928 8.697 ( 7.940 2.451 -1.188) 8.394 12.259 ( 2.019 -0.094 -0.384) 2.057 12.833 ( 1.296 -0.187 -0.539) 1.416 12.899 ( 0.873 1.086 0.172) 1.404 13.283 ( -6.169 -2.294 -2.333) 6.983 13.653 ( -0.927 -0.606 -1.415) 1.797 14.149 ( 5.378 1.574 1.950) 5.933 15.702 ( -0.182 0.531 0.810) 0.986 15.818 ( -0.826 0.707 1.329) 1.717 21.245 ( -1.160 -0.763 -1.868) 2.328 21.472 ( -5.338 6.046 0.166) 8.067 22.078 ( -0.131 -1.397 -1.423) 1.999 22.485 ( -1.797 0.192 -0.759) 1.960 22.807 ( -4.483 -4.581 -5.679) 8.564 22.894 ( -3.684 -0.873 -1.621) 4.118 24.218 ( -6.361 -13.795 -1.423) 15.257 24.447 ( -10.013 3.707 -4.709) 11.669 25.098 ( 10.945 -1.285 19.420) 22.329 25.246 ( 16.867 11.186 1.163) 20.272 25.408 ( -0.415 4.056 0.193) 4.082 25.894 ( 1.116 -2.928 -0.644) 3.198 26.412 ( -4.281 11.080 -0.738) 11.901 26.884 ( 9.516 -11.804 3.081) 15.472 27.332 ( -5.335 2.490 -2.845) 6.539 27.989 ( 0.568 0.277 -5.301) 5.338 28.329 ( 2.711 -1.391 3.748) 4.830 28.804 ( 11.238 -0.377 -2.391) 11.496 34.364 ( -9.950 9.372 -8.428) 16.058 35.654 ( 2.848 3.208 14.141) 14.778 36.271 ( -14.684 -14.968 0.994) 20.992 36.683 ( -0.841 -8.893 -6.150) 10.845 37.971 ( -6.990 2.508 -6.720) 10.016 38.207 ( -2.122 7.289 4.790) 8.976 38.710 ( -1.446 -1.798 -7.495) 7.842 38.891 ( 7.600 3.386 8.267) 11.729 39.683 ( 13.185 1.310 -4.866) 14.115 40.164 ( 10.854 0.802 4.994) 11.974 44.560 ( -1.168 -0.330 -0.019) 1.213 45.210 ( -2.902 -0.745 0.166) 3.000 ======================= Grid point 19 (14/146) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -23.065 -7.130 -9.367) 25.895 2.829 ( -31.748 -8.976 -3.035) 33.132 3.046 ( -32.734 -8.759 -0.540) 33.890 3.318 ( 0.881 1.248 5.359) 5.573 3.463 ( -0.070 -0.747 -3.339) 3.422 3.598 ( -9.622 -1.809 7.794) 12.514 3.651 ( -6.601 -1.978 2.402) 7.298 3.741 ( -6.497 -1.479 -6.747) 9.482 3.879 ( -4.741 -1.067 -1.278) 5.025 3.947 ( -4.350 -2.299 1.486) 5.140 4.131 ( 3.181 2.579 0.814) 4.175 4.198 ( 0.772 -0.309 -0.246) 0.867 5.102 ( -1.780 -1.219 -2.820) 3.551 5.918 ( 6.876 0.895 -2.733) 7.453 6.042 ( 5.760 0.679 2.490) 6.311 6.083 ( 3.837 2.388 -0.200) 4.524 6.287 ( 10.179 3.695 3.360) 11.338 6.709 ( 7.411 2.888 3.065) 8.524 8.314 ( -3.934 -0.515 1.107) 4.119 8.377 ( -4.585 -2.269 -0.189) 5.120 8.695 ( 6.540 1.497 -1.355) 6.845 8.862 ( 9.373 2.567 -0.606) 9.737 12.302 ( 3.074 0.446 -0.027) 3.107 12.861 ( 2.491 0.047 -1.269) 2.796 12.931 ( 1.495 1.194 0.219) 1.926 13.131 ( -8.099 -2.423 -2.418) 8.793 13.620 ( -1.605 -0.710 -2.324) 2.912 14.271 ( 6.224 1.634 2.554) 6.924 15.711 ( 0.531 0.357 0.211) 0.674 15.812 ( -1.173 0.449 1.525) 1.975 21.201 ( -2.360 -0.891 -1.645) 3.012 21.429 ( -5.451 3.670 0.156) 6.573 22.043 ( -2.221 -1.353 -0.994) 2.784 22.433 ( -1.810 -4.178 -2.893) 5.395 22.656 ( -8.990 1.101 -4.356) 10.051 22.806 ( -3.489 -2.808 -1.053) 4.601 23.936 ( -10.754 -11.195 -1.591) 15.605 24.359 ( -5.555 3.142 1.036) 6.465 25.310 ( 6.651 1.801 13.270) 14.952 25.379 ( -0.227 1.254 -1.419) 1.907 25.736 ( 23.047 8.667 -0.971) 24.642 25.928 ( 6.959 -0.236 2.267) 7.323 26.455 ( -1.023 7.387 -0.843) 7.505 26.933 ( 3.643 -4.844 4.501) 7.549 27.258 ( -1.640 -1.636 -4.280) 4.867 28.003 ( 2.080 3.056 -7.185) 8.080 28.349 ( 0.331 -3.207 5.303) 6.207 29.053 ( 17.510 2.997 -1.686) 17.844 34.253 ( -9.751 7.923 -8.494) 15.166 35.656 ( -14.913 -16.746 11.454) 25.180 35.919 ( -8.159 5.292 5.950) 11.400 36.528 ( -4.144 -8.761 -8.983) 13.215 37.864 ( -4.975 0.442 -6.612) 8.286 38.250 ( -1.134 4.724 3.497) 5.986 38.600 ( -4.298 -3.914 -4.210) 7.178 39.122 ( 9.748 4.348 8.676) 13.755 39.943 ( 16.293 4.484 -5.636) 17.814 40.449 ( 19.020 3.437 3.971) 19.732 44.529 ( -2.048 -0.580 0.008) 2.128 45.132 ( -5.220 -1.436 0.202) 5.418 ======================= Grid point 20 (15/146) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -28.005 -5.706 -7.172) 29.466 2.165 ( -38.185 -7.444 -2.549) 38.987 2.339 ( -41.725 -7.669 -0.617) 42.429 3.354 ( -1.315 0.021 5.045) 5.213 3.431 ( -9.441 -1.489 5.621) 11.087 3.443 ( -2.495 -0.534 -1.895) 3.178 3.497 ( -8.175 -1.892 0.728) 8.423 3.594 ( -6.829 -1.170 -5.890) 9.094 3.768 ( -6.298 -1.262 -1.026) 6.505 3.909 ( -0.283 -0.231 1.020) 1.084 4.188 ( 1.609 1.139 0.578) 2.054 4.206 ( 0.834 -0.447 -0.157) 0.959 5.054 ( -1.917 -0.630 -1.851) 2.738 6.012 ( 4.255 0.655 -1.048) 4.431 6.127 ( 3.487 0.097 0.041) 3.489 6.176 ( 5.688 1.442 0.652) 5.904 6.511 ( 10.984 2.547 2.931) 11.651 6.869 ( 8.070 1.828 1.377) 8.388 8.248 ( -3.825 -0.357 0.588) 3.886 8.284 ( -4.521 -1.319 -0.334) 4.721 8.814 ( 6.583 1.137 -0.677) 6.714 9.034 ( 8.819 1.677 0.126) 8.978 12.363 ( 3.581 0.539 0.110) 3.623 12.902 ( 2.567 -0.229 -1.327) 2.899 12.967 ( 0.778 1.308 -1.705) 2.286 12.977 ( -6.314 -1.667 0.550) 6.554 13.573 ( -2.279 -0.557 -2.535) 3.454 14.388 ( 5.461 0.960 1.717) 5.804 15.727 ( 1.009 0.144 -0.069) 1.022 15.799 ( -1.245 0.203 1.023) 1.624 21.145 ( -2.897 -0.634 -0.933) 3.109 21.369 ( -4.601 1.267 0.074) 4.773 21.971 ( -4.976 -0.971 0.032) 5.070 22.325 ( -4.166 -4.844 -4.002) 7.539 22.529 ( -7.247 2.590 -1.356) 7.814 22.737 ( -1.892 -1.833 -0.219) 2.644 23.679 ( -10.138 -5.040 -1.501) 11.420 24.311 ( -3.574 1.118 1.804) 4.157 25.372 ( -0.176 0.191 0.432) 0.504 25.405 ( -0.015 0.737 2.921) 3.013 26.078 ( 16.810 -0.592 0.850) 16.841 26.232 ( 19.250 7.532 3.560) 20.975 26.506 ( 0.990 3.735 -0.706) 3.928 26.933 ( -0.065 -1.602 1.716) 2.349 27.241 ( 2.762 -1.926 -2.651) 4.286 28.064 ( 3.673 4.116 -7.413) 9.240 28.322 ( -1.491 -3.605 5.534) 6.771 29.383 ( 18.569 2.956 -0.575) 18.812 34.146 ( -8.223 5.694 -5.268) 11.305 35.094 ( -30.344 -13.960 2.796) 33.519 36.009 ( 1.768 5.935 10.101) 11.848 36.349 ( -5.068 -5.805 -7.334) 10.638 37.775 ( -3.416 -0.547 -4.764) 5.888 38.285 ( 0.341 2.081 1.807) 2.777 38.488 ( -4.256 -2.419 -1.737) 5.195 39.317 ( 6.804 2.116 8.185) 10.852 40.229 ( 15.612 3.194 -5.012) 16.705 40.844 ( 22.685 3.718 1.365) 23.028 44.485 ( -2.550 -0.488 0.018) 2.596 45.022 ( -6.451 -1.233 0.116) 6.569 ======================= Grid point 21 (16/146) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -31.716 0.000 0.000) 31.716 1.452 ( -42.639 0.000 0.000) 42.639 1.571 ( -46.286 0.000 0.000) 46.286 3.261 ( -9.658 0.000 0.000) 9.658 3.261 ( -8.699 0.000 0.000) 8.699 3.412 ( -1.558 0.000 0.000) 1.558 3.438 ( -0.068 0.000 0.000) 0.068 3.473 ( -5.680 0.000 0.000) 5.680 3.664 ( -4.992 0.000 0.000) 4.992 3.915 ( 0.545 -0.000 -0.000) 0.545 4.214 ( 0.733 -0.000 -0.000) 0.733 4.216 ( 0.769 -0.000 -0.000) 0.769 5.018 ( -1.581 0.000 0.000) 1.581 6.066 ( 2.409 -0.000 -0.000) 2.409 6.171 ( 2.034 -0.000 -0.000) 2.034 6.279 ( 5.299 -0.000 -0.000) 5.299 6.689 ( 8.208 -0.000 -0.000) 8.208 7.004 ( 6.729 -0.000 -0.000) 6.729 8.191 ( -2.893 0.000 0.000) 2.893 8.208 ( -3.703 0.000 0.000) 3.703 8.917 ( 5.134 -0.000 -0.000) 5.134 9.171 ( 6.633 -0.000 -0.000) 6.633 12.423 ( 3.168 -0.000 -0.000) 3.168 12.842 ( -5.744 0.000 0.000) 5.744 12.962 ( 2.874 -0.000 -0.000) 2.874 12.997 ( 1.410 -0.000 -0.000) 1.410 13.524 ( -2.594 0.000 0.000) 2.594 14.473 ( 3.898 -0.000 -0.000) 3.898 15.745 ( 1.077 -0.000 -0.000) 1.077 15.783 ( -1.002 0.000 0.000) 1.002 21.094 ( -2.589 0.000 0.000) 2.589 21.311 ( -2.954 0.000 0.000) 2.954 21.871 ( -6.299 0.000 0.000) 6.299 22.208 ( -5.652 0.000 0.000) 5.652 22.457 ( -2.911 0.000 0.000) 2.911 22.704 ( -1.290 0.000 0.000) 1.290 23.510 ( -7.127 0.000 0.000) 7.127 24.272 ( -2.200 0.000 0.000) 2.200 25.373 ( 0.154 -0.000 -0.000) 0.154 25.392 ( -1.798 0.000 0.000) 1.798 26.338 ( 13.867 -0.000 -0.000) 13.867 26.515 ( 7.706 -0.000 -0.000) 7.706 26.546 ( 1.476 -0.000 -0.000) 1.476 26.998 ( 10.538 -0.000 -0.000) 10.538 27.274 ( 2.522 -0.000 -0.000) 2.522 28.126 ( 2.890 -0.000 -0.000) 2.890 28.291 ( -1.252 0.000 0.000) 1.252 29.677 ( 14.966 -0.000 -0.000) 14.966 34.053 ( -5.677 0.000 0.000) 5.677 34.523 ( -29.404 0.000 0.000) 29.404 36.094 ( 2.389 -0.000 -0.000) 2.389 36.228 ( -4.350 0.000 0.000) 4.350 37.717 ( -1.990 0.000 0.000) 1.990 38.310 ( 1.167 -0.000 -0.000) 1.167 38.407 ( -3.856 0.000 0.000) 3.856 39.438 ( 4.539 -0.000 -0.000) 4.539 40.463 ( 12.041 -0.000 -0.000) 12.041 41.221 ( 19.599 -0.000 -0.000) 19.599 44.441 ( -2.460 0.000 0.000) 2.460 44.912 ( -5.855 0.000 0.000) 5.855 ======================= Grid point 24 (17/146) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 25.402 27.305) 37.294 1.690 ( -0.000 39.886 6.379) 40.393 1.920 ( -0.000 42.639 14.490) 45.034 3.167 ( -0.000 10.550 -14.652) 18.055 3.184 ( -0.000 12.029 -14.457) 18.807 3.419 ( -0.000 0.012 -2.544) 2.545 3.494 ( 0.000 0.146 4.813) 4.816 3.601 ( 0.000 4.859 10.442) 11.517 3.728 ( 0.000 6.298 4.796) 7.916 3.873 ( -0.000 -0.518 -5.190) 5.216 4.201 ( -0.000 -1.253 -0.801) 1.487 4.207 ( -0.000 -0.517 -1.203) 1.309 5.065 ( 0.000 -0.154 5.711) 5.713 6.038 ( 0.000 -3.682 -1.036) 3.825 6.139 ( -0.000 -2.686 -1.895) 3.287 6.265 ( 0.000 -4.839 0.688) 4.887 6.573 ( -0.000 -5.571 -9.654) 11.146 6.960 ( -0.000 -7.008 -2.842) 7.562 8.209 ( -0.000 3.162 0.106) 3.164 8.221 ( -0.000 4.040 -0.639) 4.090 8.904 ( 0.000 -5.858 2.093) 6.221 9.115 ( -0.000 -5.562 -2.251) 6.001 12.399 ( 0.000 -4.188 -0.151) 4.191 12.892 ( 0.000 3.423 3.268) 4.732 12.966 ( 0.000 -2.679 2.070) 3.385 13.012 ( 0.000 0.721 2.644) 2.741 13.641 ( 0.000 -3.065 13.742) 14.080 14.391 ( -0.000 -4.430 -8.494) 9.580 15.740 ( -0.000 0.205 0.052) 0.212 15.794 ( -0.000 1.450 -0.222) 1.467 21.099 ( -0.000 1.206 0.032) 1.207 21.323 ( -0.000 2.544 0.809) 2.670 21.912 ( -0.000 8.604 -0.468) 8.617 22.271 ( 0.000 4.346 6.892) 8.148 22.456 ( 0.000 1.026 1.740) 2.020 22.706 ( -0.000 1.836 -1.472) 2.354 23.467 ( -0.000 2.639 -7.593) 8.039 24.309 ( -0.000 3.485 1.046) 3.639 25.364 ( -0.000 -0.132 -0.140) 0.193 25.443 ( 0.000 4.061 2.167) 4.603 26.342 ( 0.000 -13.017 1.082) 13.062 26.486 ( 0.000 -3.865 -0.590) 3.910 26.532 ( 0.000 -6.921 5.108) 8.602 27.018 ( 0.000 -5.767 4.992) 7.627 27.267 ( 0.000 -2.360 0.235) 2.372 27.733 ( -0.000 4.332 -18.320) 18.825 28.677 ( 0.000 -10.664 22.544) 24.939 29.576 ( 0.000 -17.688 -2.287) 17.835 33.972 ( 0.000 0.275 0.853) 0.896 34.846 ( -0.000 36.154 8.242) 37.081 36.126 ( -0.000 -0.826 -0.484) 0.957 36.218 ( -0.000 6.497 -2.838) 7.090 37.677 ( 0.000 -0.637 0.316) 0.711 38.304 ( 0.000 -1.462 -0.274) 1.488 38.398 ( -0.000 3.660 -3.386) 4.986 39.190 ( -0.000 9.540 -27.825) 29.415 40.476 ( 0.000 -26.154 10.889) 28.330 41.206 ( 0.000 -19.536 7.566) 20.950 44.454 ( -0.000 2.559 0.089) 2.561 44.940 ( -0.000 6.276 -0.364) 6.286 ======================= Grid point 25 (18/146) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 8.524 21.895 24.673) 34.070 2.196 ( 13.803 34.809 5.940) 37.914 2.452 ( 11.237 38.061 11.632) 41.354 3.248 ( 2.832 8.270 -10.636) 13.767 3.297 ( 4.206 13.054 -12.546) 18.588 3.420 ( 1.043 2.228 -3.742) 4.478 3.506 ( 0.286 0.317 1.005) 1.092 3.700 ( 2.322 4.534 8.690) 10.073 3.814 ( 1.514 4.763 2.982) 5.820 3.859 ( 0.391 1.646 -3.911) 4.261 4.186 ( 0.302 -1.722 -0.784) 1.916 4.191 ( -0.826 -0.528 -1.347) 1.666 5.088 ( 0.764 -0.133 4.376) 4.445 5.992 ( -0.099 -5.380 -0.780) 5.437 6.093 ( -1.259 -3.943 -2.401) 4.785 6.202 ( -2.349 -4.114 1.020) 4.846 6.454 ( -3.598 -7.211 -7.130) 10.760 6.856 ( -3.341 -6.388 -3.120) 7.855 8.249 ( 0.901 3.818 -0.431) 3.946 8.274 ( 1.714 4.097 -0.527) 4.472 8.832 ( -2.217 -6.637 2.249) 7.350 9.029 ( -2.483 -7.428 -0.245) 7.836 12.346 ( -1.041 -4.344 -0.883) 4.554 12.919 ( 0.343 -1.194 0.669) 1.411 12.944 ( -0.525 -1.779 1.547) 2.416 13.058 ( 1.190 4.870 6.355) 8.094 13.653 ( -0.332 -1.607 9.054) 9.202 14.304 ( -1.308 -4.922 -9.321) 10.622 15.747 ( -0.217 0.872 1.623) 1.855 15.804 ( -0.446 1.667 -0.588) 1.823 21.125 ( 2.019 0.896 -0.755) 2.334 21.379 ( 2.973 3.471 0.773) 4.635 21.976 ( 0.742 3.377 0.402) 3.481 22.366 ( 2.093 4.585 8.143) 9.577 22.527 ( 5.731 3.380 1.058) 6.737 22.719 ( 0.116 1.796 -1.432) 2.301 23.512 ( 4.941 5.455 -12.780) 14.748 24.356 ( 0.631 5.274 1.387) 5.490 25.365 ( -0.233 0.340 0.205) 0.460 25.478 ( -2.164 4.510 2.353) 5.528 26.101 ( -9.969 -14.647 1.911) 17.820 26.389 ( -11.147 -8.932 7.375) 16.076 26.486 ( 3.126 -5.438 -0.024) 6.272 26.961 ( -3.930 1.076 1.194) 4.246 27.238 ( -0.052 -3.590 2.519) 4.386 27.823 ( 11.149 -0.712 -11.437) 15.988 28.556 ( -10.007 -5.010 12.879) 17.062 29.340 ( -5.361 -19.744 -3.392) 20.739 34.108 ( 13.696 0.591 1.818) 13.829 35.188 ( -2.294 33.881 5.382) 34.383 36.051 ( -6.451 5.458 -4.510) 9.579 36.348 ( 6.502 3.163 5.242) 8.930 37.737 ( 6.755 -0.704 1.412) 6.936 38.285 ( -0.621 0.084 -1.891) 1.992 38.445 ( 3.299 2.443 -2.375) 4.743 39.174 ( -1.833 5.079 -17.707) 18.512 40.208 ( -4.274 -25.944 2.119) 26.379 40.948 ( -11.018 -19.135 6.761) 23.093 44.486 ( 0.810 2.442 0.040) 2.573 45.018 ( 2.153 6.233 -0.414) 6.607 ======================= Grid point 26 (19/146) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 11.311 17.241 20.981) 29.418 2.780 ( 17.902 27.769 5.031) 33.421 3.034 ( 14.931 29.707 7.366) 34.054 3.278 ( -1.112 1.240 -4.463) 4.764 3.456 ( 4.368 8.060 -6.418) 11.190 3.482 ( 3.111 4.839 -3.642) 6.808 3.551 ( 4.501 5.839 -6.955) 10.135 3.808 ( 3.073 3.392 5.260) 6.973 3.867 ( 3.563 2.398 -3.538) 5.564 3.917 ( 0.799 5.287 2.653) 5.969 4.155 ( -2.006 -1.060 -1.088) 2.516 4.179 ( 0.701 -1.295 -0.764) 1.659 5.115 ( 1.429 -0.652 2.686) 3.112 5.917 ( -1.516 -8.142 0.199) 8.284 6.006 ( -2.856 -4.656 -3.116) 6.288 6.130 ( -3.010 -2.659 0.826) 4.101 6.287 ( -5.755 -6.273 -4.211) 9.498 6.721 ( -5.163 -4.722 -2.542) 7.444 8.304 ( 1.366 4.097 -0.925) 4.417 8.345 ( 2.692 3.336 -0.603) 4.329 8.730 ( -3.315 -6.577 2.180) 7.681 8.897 ( -4.529 -8.172 1.114) 9.409 12.285 ( -1.092 -3.710 -1.444) 4.129 12.894 ( -1.072 -2.653 1.890) 3.430 12.925 ( -0.721 -0.816 -0.420) 1.167 13.173 ( 3.472 5.576 6.576) 9.294 13.662 ( -0.006 -0.876 5.129) 5.203 14.199 ( -2.117 -4.662 -8.796) 10.178 15.756 ( -1.064 1.074 3.347) 3.672 15.810 ( -0.347 1.917 -1.195) 2.285 21.170 ( 2.809 0.661 -1.322) 3.174 21.481 ( 3.311 5.937 0.390) 6.809 22.009 ( 1.535 0.274 -1.365) 2.072 22.468 ( 2.608 2.894 9.267) 10.052 22.679 ( 6.028 4.496 -0.572) 7.542 22.742 ( 2.756 0.507 -0.822) 2.920 23.640 ( 9.963 4.798 -13.788) 17.675 24.445 ( 1.711 8.146 1.935) 8.546 25.333 ( -6.361 -0.350 0.929) 6.438 25.461 ( -3.980 2.594 2.883) 5.557 25.843 ( -6.161 -11.993 2.342) 13.685 26.070 ( -18.098 -8.559 9.218) 22.040 26.487 ( 3.204 -5.348 0.522) 6.256 26.898 ( -7.056 3.584 -5.910) 9.877 27.245 ( 4.370 -3.924 5.701) 8.186 27.937 ( 7.893 -3.016 -6.367) 10.579 28.408 ( -8.028 -0.633 6.269) 10.206 29.034 ( -7.167 -19.190 -3.769) 20.829 34.380 ( 13.581 4.681 4.635) 15.095 35.406 ( -1.535 17.641 -7.972) 19.419 36.057 ( -3.261 15.121 3.390) 15.836 36.499 ( 7.734 -1.775 9.730) 12.556 37.867 ( 7.806 1.223 1.841) 8.113 38.275 ( -1.633 3.898 -4.844) 6.429 38.541 ( 7.060 0.846 1.003) 7.181 39.091 ( -6.456 0.802 -9.722) 11.698 39.887 ( -5.183 -23.283 -5.523) 24.484 40.576 ( -15.230 -16.065 5.993) 22.933 44.523 ( 1.103 1.950 0.017) 2.240 45.114 ( 2.878 5.031 -0.420) 5.811 ======================= Grid point 27 (20/146) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 10.636 12.671 17.022) 23.737 3.179 ( -5.359 -1.514 -4.071) 6.898 3.308 ( 15.982 20.384 3.635) 26.156 3.462 ( 2.264 -0.401 -1.744) 2.886 3.561 ( 8.777 14.096 1.606) 16.683 3.644 ( 7.303 11.291 -4.086) 14.054 3.666 ( 5.404 7.996 -5.046) 10.891 3.903 ( 3.097 2.888 2.859) 5.109 3.969 ( -0.390 3.240 1.038) 3.424 3.972 ( 5.621 3.977 -2.169) 7.219 4.093 ( -4.319 -0.805 -0.754) 4.458 4.181 ( 0.927 -0.774 -0.240) 1.232 5.136 ( 1.591 -1.502 0.617) 2.273 5.796 ( -2.675 -8.843 0.295) 9.244 5.883 ( -4.270 -7.940 -2.516) 9.360 6.058 ( -3.565 -0.020 -0.648) 3.624 6.160 ( -3.518 -1.961 -0.362) 4.044 6.596 ( -4.827 -2.306 -1.087) 5.459 8.359 ( 1.175 3.531 -0.995) 3.852 8.417 ( 3.301 2.106 -0.964) 4.033 8.625 ( -2.986 -5.365 1.745) 6.383 8.746 ( -5.025 -7.343 1.616) 9.044 12.237 ( -0.366 -2.682 -1.564) 3.126 12.857 ( -1.203 -2.218 1.471) 2.920 12.905 ( -0.950 -0.046 -0.215) 0.975 13.301 ( 3.677 3.978 4.885) 7.295 13.669 ( 0.172 -0.628 2.332) 2.421 14.097 ( -1.927 -3.519 -6.824) 7.917 15.752 ( -1.864 0.920 3.255) 3.862 15.823 ( -0.111 2.006 -0.418) 2.052 21.214 ( 2.458 0.238 -1.687) 2.991 21.586 ( 0.463 8.833 0.081) 8.846 22.025 ( 2.177 -1.741 -2.664) 3.856 22.561 ( -0.062 5.720 6.659) 8.779 22.758 ( 4.245 -0.797 0.095) 4.321 22.836 ( 5.303 1.518 -2.546) 6.075 23.826 ( 16.049 -2.164 -11.516) 19.872 24.569 ( 1.656 10.394 0.884) 10.562 25.135 ( -15.130 -1.322 3.966) 15.697 25.460 ( -1.995 3.531 3.116) 5.115 25.573 ( -16.405 -9.820 8.597) 20.963 25.867 ( -1.811 -3.679 3.545) 5.420 26.498 ( 5.728 -8.742 2.141) 10.669 26.759 ( -10.242 4.337 -8.203) 13.820 27.330 ( 6.362 -2.345 4.075) 7.911 27.988 ( 3.153 -0.914 -2.851) 4.348 28.316 ( -4.705 -0.780 1.727) 5.073 28.754 ( -4.232 -15.949 -3.262) 16.820 34.630 ( 3.568 12.836 5.612) 14.457 35.445 ( 1.758 2.549 -13.786) 14.130 36.220 ( 1.382 14.202 7.500) 16.120 36.617 ( 7.421 -7.622 10.182) 14.726 38.025 ( 7.134 5.359 1.658) 9.075 38.270 ( -3.139 7.137 -6.470) 10.132 38.694 ( 8.723 1.710 3.417) 9.523 38.912 ( -10.751 -2.922 -4.093) 11.870 39.584 ( -3.652 -19.063 -9.682) 21.690 40.233 ( -11.840 -11.460 5.199) 17.278 44.555 ( 0.884 1.270 0.018) 1.547 45.195 ( 2.267 3.259 -0.324) 3.983 ======================= Grid point 28 (21/146) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 7.941 8.443 12.755) 17.235 3.017 ( -9.784 -2.862 -4.728) 11.237 3.456 ( 1.171 -2.157 -3.588) 4.347 3.652 ( 1.750 1.958 -1.799) 3.183 3.694 ( 9.800 11.182 1.637) 14.959 3.776 ( 1.892 6.089 -1.847) 6.638 3.914 ( -1.212 2.642 -0.423) 2.937 3.969 ( -1.408 3.408 -0.495) 3.721 3.998 ( 4.841 4.804 0.672) 6.853 4.004 ( -3.749 4.147 0.796) 5.647 4.065 ( 2.696 1.647 -1.500) 3.497 4.177 ( -1.936 -0.814 1.275) 2.457 5.140 ( 1.115 -1.992 -1.344) 2.649 5.699 ( 0.235 -6.371 0.019) 6.375 5.740 ( -1.331 -7.124 -1.471) 7.395 6.026 ( -1.955 2.920 -0.486) 3.547 6.114 ( -1.552 -0.265 1.349) 2.073 6.528 ( -1.991 0.192 0.963) 2.220 8.400 ( 0.778 2.060 -0.232) 2.214 8.488 ( 4.083 0.922 -1.371) 4.405 8.551 ( -1.489 -3.039 0.591) 3.435 8.617 ( -3.974 -5.107 1.410) 6.623 12.214 ( 0.699 -1.620 -1.281) 2.180 12.827 ( -0.659 -1.473 0.615) 1.727 12.895 ( -0.554 0.619 0.228) 0.862 13.378 ( 0.651 1.232 1.921) 2.373 13.671 ( -0.064 -0.472 0.532) 0.714 14.042 ( 0.634 -1.409 -3.386) 3.722 15.737 ( -1.827 0.678 2.143) 2.897 15.838 ( -0.376 1.732 0.741) 1.922 21.240 ( 1.415 -0.202 -1.786) 2.287 21.650 ( -3.699 9.908 -0.110) 10.576 22.033 ( 2.553 -2.480 -2.746) 4.495 22.600 ( -4.564 7.197 2.001) 8.754 22.821 ( 4.518 -3.572 -2.191) 6.162 22.895 ( 1.802 1.404 0.185) 2.292 24.013 ( 18.919 -14.413 -10.024) 25.810 24.686 ( 1.423 10.399 -4.043) 11.248 24.898 ( -16.098 2.630 5.606) 17.248 25.298 ( -11.166 -1.600 19.989) 22.952 25.492 ( -2.655 5.961 0.567) 6.550 25.848 ( 1.709 -4.136 0.161) 4.478 26.494 ( 8.813 -19.882 -2.751) 21.921 26.665 ( -7.662 14.633 -0.652) 16.531 27.396 ( 3.434 -3.883 -0.212) 5.188 28.014 ( -0.755 3.344 -1.436) 3.717 28.248 ( -0.746 -2.937 0.023) 3.031 28.599 ( 2.017 -10.659 -2.440) 11.119 34.736 ( -9.833 18.075 -1.401) 20.625 35.496 ( 8.328 -2.006 -1.431) 8.684 36.346 ( 1.232 2.032 1.460) 2.789 36.652 ( 4.037 -11.569 7.769) 14.508 38.208 ( 3.877 9.453 2.560) 10.533 38.256 ( -4.791 8.624 -5.540) 11.314 38.702 ( -7.392 -2.819 -3.028) 8.471 38.842 ( 3.526 1.798 2.997) 4.964 39.377 ( 3.242 -13.939 -7.757) 16.278 40.035 ( -3.343 -6.768 4.126) 8.602 44.574 ( 0.240 0.582 -0.000) 0.630 45.242 ( 0.695 1.529 -0.136) 1.684 ======================= Grid point 29 (22/146) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -15.107 -3.419 -5.042) 16.289 3.168 ( 5.059 4.994 8.735) 11.262 3.444 ( 1.231 -1.894 -4.140) 4.716 3.655 ( -12.586 -1.543 -0.899) 12.712 3.680 ( -4.535 -0.583 -0.464) 4.595 3.810 ( -2.719 2.767 1.509) 4.163 3.903 ( -2.999 0.256 -1.533) 3.378 3.954 ( -8.035 1.514 -1.841) 8.381 3.993 ( -1.636 4.085 0.605) 4.442 4.010 ( -1.136 1.097 0.858) 1.798 4.100 ( -3.430 -2.608 1.468) 4.552 4.159 ( 2.088 2.655 -0.244) 3.386 5.129 ( 0.364 -1.604 -2.066) 2.641 5.691 ( 4.878 -2.932 -1.080) 5.793 5.756 ( 8.167 -1.658 0.066) 8.333 6.036 ( -0.697 3.271 0.620) 3.401 6.113 ( 1.183 0.264 1.278) 1.761 6.544 ( 2.061 1.572 2.265) 3.442 8.416 ( -1.130 0.847 1.289) 1.912 8.503 ( -2.500 -3.223 -0.303) 4.090 8.534 ( 1.871 -0.641 -0.928) 2.185 8.593 ( 5.610 0.680 -0.501) 5.673 12.221 ( 1.820 -0.722 -0.759) 2.100 12.814 ( 0.354 -0.754 -0.084) 0.837 12.901 ( 0.229 0.907 0.371) 1.006 13.351 ( -4.231 -0.846 -0.623) 4.359 13.659 ( -0.771 -0.486 -0.487) 1.034 14.077 ( 4.662 0.420 -0.194) 4.685 15.722 ( -1.242 0.411 1.101) 1.710 15.846 ( -0.816 1.196 1.179) 1.867 21.243 ( -0.002 -0.434 -1.534) 1.594 21.648 ( -6.743 8.020 -0.258) 10.481 22.044 ( 1.966 -1.698 -1.906) 3.222 22.562 ( -6.491 3.497 -0.957) 7.435 22.800 ( -0.846 -2.728 -2.202) 3.606 22.927 ( -0.851 0.565 0.372) 1.087 24.056 ( 8.604 -17.751 -6.587) 20.797 24.661 ( -13.685 6.440 -6.023) 16.280 24.870 ( 11.144 0.766 6.865) 13.111 25.329 ( -0.857 11.511 19.726) 22.854 25.490 ( -4.006 5.193 0.404) 6.571 25.829 ( 1.596 -5.092 -1.898) 5.663 26.433 ( 7.007 -13.812 -6.419) 16.766 26.762 ( 0.497 12.852 6.839) 14.566 27.352 ( -0.991 -7.650 -4.414) 8.888 28.005 ( -2.875 3.254 -2.364) 4.945 28.269 ( 4.151 -0.917 2.000) 4.698 28.600 ( 8.832 -5.645 -2.417) 10.757 34.664 ( -14.991 14.868 -6.898) 22.212 35.650 ( 7.985 -0.393 11.908) 14.343 36.287 ( -4.815 -6.565 -4.826) 9.464 36.586 ( -0.398 -11.353 2.244) 11.579 38.141 ( -11.171 4.022 -3.571) 12.399 38.364 ( -2.471 10.674 4.878) 11.993 38.664 ( 2.838 0.923 -6.326) 6.995 38.837 ( 0.741 -2.964 1.913) 3.604 39.433 ( 14.398 -3.519 -3.134) 15.150 40.024 ( 5.953 -3.146 3.518) 7.597 44.574 ( -0.637 0.068 -0.020) 0.640 45.244 ( -1.476 0.255 0.034) 1.498 ======================= Grid point 30 (23/146) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -20.517 -2.704 -3.712) 21.025 3.258 ( -26.241 -2.660 -0.713) 26.385 3.282 ( 0.326 1.797 3.818) 4.232 3.437 ( 0.797 -1.127 -2.771) 3.096 3.529 ( -23.764 -2.054 0.020) 23.853 3.720 ( -5.308 -0.691 0.957) 5.438 3.762 ( -6.464 1.078 4.595) 8.004 3.819 ( -6.614 -1.257 -4.866) 8.307 3.948 ( -4.180 0.671 -0.525) 4.266 4.011 ( -5.183 -2.091 0.886) 5.658 4.107 ( 3.323 2.780 0.536) 4.365 4.180 ( 0.532 -0.440 -0.323) 0.762 5.107 ( -0.857 -0.821 -1.409) 1.842 5.786 ( 8.212 -0.435 -1.017) 8.287 5.920 ( 10.415 0.396 0.375) 10.429 6.063 ( 0.956 1.523 0.624) 1.903 6.179 ( 6.098 0.998 1.050) 6.268 6.629 ( 5.534 1.304 1.681) 5.929 8.384 ( -3.878 0.616 1.114) 4.081 8.424 ( -3.555 -2.011 -0.405) 4.105 8.596 ( 5.731 0.262 -0.800) 5.793 8.723 ( 8.981 0.858 -0.421) 9.032 12.254 ( 2.839 -0.118 -0.241) 2.852 12.824 ( 1.514 -0.260 -0.384) 1.583 12.920 ( 1.018 0.679 0.221) 1.243 13.239 ( -7.441 -0.986 -0.948) 7.566 13.635 ( -1.396 -0.370 -0.728) 1.617 14.180 ( 6.620 0.641 0.718) 6.689 15.714 ( -0.404 0.174 0.353) 0.564 15.841 ( -1.182 0.554 0.856) 1.561 21.223 ( -1.447 -0.365 -0.915) 1.751 21.583 ( -7.921 4.064 -0.135) 8.904 22.047 ( 0.212 -0.620 -0.849) 1.072 22.459 ( -5.936 -1.223 -1.643) 6.280 22.761 ( -2.447 1.208 0.042) 2.729 22.857 ( -6.400 -1.713 -1.585) 6.812 23.957 ( -2.791 -8.536 -1.602) 9.122 24.501 ( -9.036 2.396 -1.517) 9.470 25.131 ( 17.019 -1.110 3.641) 17.440 25.424 ( -3.682 2.732 1.685) 4.885 25.603 ( 7.760 11.949 8.751) 16.721 25.809 ( 4.401 -5.194 -2.621) 7.295 26.433 ( 5.802 -5.334 -3.891) 8.789 26.927 ( 1.320 11.098 8.323) 13.935 27.217 ( -1.609 -9.943 -6.755) 12.127 27.993 ( -0.150 2.070 -2.615) 3.338 28.321 ( 1.785 -1.254 2.283) 3.157 28.774 ( 16.414 -0.769 -1.420) 16.493 34.511 ( -14.151 8.371 -5.179) 17.238 35.740 ( -3.204 -5.761 12.550) 14.176 36.101 ( -8.313 1.377 -3.623) 9.173 36.461 ( -2.263 -8.724 -3.329) 9.607 37.978 ( -9.588 1.184 -2.553) 9.992 38.382 ( -6.621 6.767 4.166) 10.344 38.600 ( -2.469 -4.385 -5.380) 7.367 38.989 ( 12.407 1.962 3.103) 12.938 39.683 ( 17.123 1.237 -2.456) 17.342 40.188 ( 14.735 -0.651 2.456) 14.953 44.555 ( -1.527 -0.141 -0.011) 1.534 45.200 ( -3.826 -0.310 0.079) 3.839 ======================= Grid point 31 (24/146) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -25.296 0.000 0.000) 25.296 2.730 ( -34.498 0.000 0.000) 34.498 2.957 ( -36.619 0.000 0.000) 36.619 3.358 ( 1.005 -0.000 -0.000) 1.005 3.436 ( 0.132 -0.000 -0.000) 0.132 3.628 ( -7.530 0.000 0.000) 7.530 3.632 ( -11.213 0.000 0.000) 11.213 3.691 ( -6.492 0.000 0.000) 6.492 3.864 ( -6.038 0.000 0.000) 6.038 3.930 ( -2.850 0.000 0.000) 2.850 4.167 ( 2.341 -0.000 -0.000) 2.341 4.186 ( 0.799 -0.000 -0.000) 0.799 5.079 ( -1.746 0.000 0.000) 1.746 5.916 ( 7.455 -0.000 -0.000) 7.455 6.056 ( 5.777 -0.000 -0.000) 5.777 6.105 ( 3.472 -0.000 -0.000) 3.472 6.337 ( 11.433 -0.000 -0.000) 11.433 6.749 ( 7.662 -0.000 -0.000) 7.662 8.317 ( -4.485 0.000 0.000) 4.485 8.350 ( -4.312 0.000 0.000) 4.312 8.704 ( 7.073 -0.000 -0.000) 7.073 8.885 ( 9.951 -0.000 -0.000) 9.951 12.306 ( 3.526 -0.000 -0.000) 3.526 12.855 ( 2.487 -0.000 -0.000) 2.487 12.945 ( 1.529 -0.000 -0.000) 1.529 13.099 ( -8.415 0.000 0.000) 8.415 13.604 ( -2.013 0.000 0.000) 2.013 14.295 ( 6.606 -0.000 -0.000) 6.606 15.715 ( 0.429 -0.000 -0.000) 0.429 15.824 ( -1.347 0.000 0.000) 1.347 21.186 ( -2.521 0.000 0.000) 2.521 21.475 ( -7.115 0.000 0.000) 7.115 22.027 ( -2.309 0.000 0.000) 2.309 22.363 ( -4.271 0.000 0.000) 4.271 22.690 ( -10.051 0.000 0.000) 10.051 22.751 ( -1.395 0.000 0.000) 1.395 23.813 ( -9.044 0.000 0.000) 9.044 24.394 ( -5.570 0.000 0.000) 5.570 25.362 ( 8.518 -0.000 -0.000) 8.518 25.390 ( -1.719 0.000 0.000) 1.719 25.817 ( 11.972 -0.000 -0.000) 11.972 25.971 ( 17.102 -0.000 -0.000) 17.102 26.480 ( 3.256 -0.000 -0.000) 3.256 26.982 ( -4.120 0.000 0.000) 4.120 27.161 ( 3.862 -0.000 -0.000) 3.862 28.022 ( 2.555 -0.000 -0.000) 2.555 28.326 ( -0.318 0.000 0.000) 0.318 29.074 ( 19.723 -0.000 -0.000) 19.723 34.332 ( -11.462 0.000 0.000) 11.462 35.479 ( -22.989 0.000 0.000) 22.989 36.061 ( -1.353 0.000 0.000) 1.353 36.362 ( -2.982 0.000 0.000) 2.982 37.846 ( -6.427 0.000 0.000) 6.427 38.327 ( -3.766 0.000 0.000) 3.766 38.530 ( -2.867 0.000 0.000) 2.867 39.198 ( 10.417 -0.000 -0.000) 10.417 39.969 ( 17.012 -0.000 -0.000) 17.012 40.492 ( 21.373 -0.000 -0.000) 21.373 44.523 ( -2.235 0.000 0.000) 2.235 45.119 ( -5.742 0.000 0.000) 5.742 ======================= Grid point 36 (25/146) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 0.000 21.188 24.125) 32.108 2.442 ( -0.000 35.049 5.528) 35.482 2.765 ( -0.000 36.743 11.449) 38.485 3.271 ( -0.000 6.880 -8.045) 10.586 3.354 ( -0.000 14.759 -11.238) 18.551 3.424 ( -0.000 3.490 -3.671) 5.065 3.503 ( -0.000 0.440 -2.718) 2.753 3.748 ( 0.000 3.894 7.450) 8.406 3.815 ( -0.000 0.593 -4.936) 4.971 3.904 ( 0.000 6.742 3.295) 7.504 4.159 ( 0.000 -2.659 -0.890) 2.804 4.188 ( -0.000 -0.516 -1.350) 1.446 5.090 ( 0.000 -0.689 3.162) 3.236 5.931 ( 0.000 -6.677 -1.491) 6.842 6.057 ( -0.000 -4.565 -2.268) 5.097 6.185 ( 0.000 -3.889 1.070) 4.034 6.390 ( -0.000 -7.844 -5.251) 9.439 6.815 ( -0.000 -5.849 -2.701) 6.442 8.276 ( -0.000 3.912 -0.294) 3.924 8.303 ( -0.000 5.037 -0.915) 5.119 8.791 ( 0.000 -7.436 2.299) 7.784 8.973 ( 0.000 -8.582 0.438) 8.594 12.307 ( 0.000 -4.703 -1.395) 4.906 12.903 ( -0.000 -1.665 -0.811) 1.852 12.940 ( 0.000 -1.707 2.874) 3.343 13.119 ( 0.000 5.494 6.475) 8.492 13.667 ( 0.000 -1.908 7.441) 7.681 14.234 ( -0.000 -5.170 -9.721) 11.010 15.769 ( 0.000 1.966 2.399) 3.102 15.823 ( -0.000 1.588 -0.170) 1.597 21.107 ( -0.000 0.191 -1.629) 1.641 21.377 ( -0.000 2.282 0.751) 2.402 21.989 ( 0.000 0.162 0.426) 0.456 22.442 ( 0.000 6.518 5.904) 8.795 22.492 ( 0.000 1.169 2.284) 2.566 22.736 ( -0.000 2.517 -2.021) 3.228 23.509 ( -0.000 11.278 -14.863) 18.657 24.399 ( 0.000 4.803 1.817) 5.135 25.372 ( 0.000 0.734 1.109) 1.330 25.557 ( -0.000 6.174 1.956) 6.477 26.054 ( 0.000 -18.091 2.728) 18.296 26.387 ( -0.000 -5.524 -2.205) 5.948 26.439 ( 0.000 -8.700 17.235) 19.306 27.026 ( -0.000 2.822 0.181) 2.828 27.220 ( 0.000 -2.788 0.679) 2.870 27.684 ( -0.000 0.612 -9.255) 9.275 28.616 ( 0.000 -6.815 8.271) 10.717 29.170 ( 0.000 -21.663 -5.090) 22.253 33.984 ( 0.000 0.310 0.921) 0.972 35.597 ( -0.000 35.582 6.147) 36.109 36.105 ( -0.000 -0.951 -0.624) 1.138 36.388 ( -0.000 12.249 3.097) 12.634 37.667 ( 0.000 -0.693 0.394) 0.798 38.272 ( 0.000 -1.610 -0.277) 1.634 38.432 ( -0.000 2.714 -5.679) 6.294 39.190 ( -0.000 4.788 -12.240) 13.143 39.978 ( 0.000 -29.195 -0.396) 29.198 40.877 ( 0.000 -19.247 5.769) 20.092 44.503 ( -0.000 2.431 0.022) 2.431 45.060 ( -0.000 6.379 -0.424) 6.393 ======================= Grid point 37 (26/146) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 5.302 17.929 21.504) 28.495 2.851 ( 8.970 30.134 4.698) 31.790 3.168 ( 5.661 26.468 7.290) 28.031 3.297 ( 0.037 4.314 -2.917) 5.207 3.453 ( 0.912 1.862 -1.637) 2.642 3.487 ( 2.857 12.577 -8.526) 15.461 3.525 ( 2.715 6.777 -8.000) 10.831 3.810 ( 1.397 2.571 1.421) 3.253 3.831 ( 2.446 2.399 -0.933) 3.551 3.978 ( -0.108 6.270 2.614) 6.793 4.133 ( 0.767 -3.495 -0.706) 3.647 4.174 ( -0.663 -0.266 -1.181) 1.381 5.095 ( 0.704 -1.341 1.564) 2.177 5.855 ( -0.507 -7.910 -1.078) 7.999 5.985 ( -1.809 -6.096 -2.420) 6.804 6.144 ( -1.469 -2.717 0.947) 3.231 6.282 ( -2.579 -6.540 -2.917) 7.611 6.735 ( -2.646 -4.285 -1.928) 5.392 8.322 ( 1.003 4.154 -0.669) 4.326 8.353 ( 0.631 4.746 -0.921) 4.876 8.712 ( -1.759 -7.410 2.144) 7.912 8.873 ( -2.161 -9.124 1.184) 9.450 12.255 ( -0.459 -4.127 -1.747) 4.505 12.881 ( -0.173 -2.273 -0.727) 2.393 12.932 ( -0.550 -0.834 2.471) 2.665 13.205 ( 1.636 5.208 5.949) 8.074 13.669 ( -0.115 -1.565 4.787) 5.038 14.148 ( -0.837 -4.651 -8.755) 9.949 15.796 ( -0.554 2.155 3.559) 4.197 15.832 ( -0.452 1.689 -0.551) 1.834 21.123 ( 2.467 -0.014 -2.004) 3.178 21.442 ( 5.002 2.555 0.350) 5.627 21.985 ( 0.456 -1.331 -1.072) 1.769 22.495 ( 1.028 2.435 7.399) 7.857 22.584 ( 6.642 1.860 -0.804) 6.944 22.748 ( -0.576 2.501 -1.961) 3.230 23.595 ( 0.943 13.184 -13.212) 18.689 24.475 ( 2.695 5.727 2.063) 6.657 25.386 ( -0.307 1.132 1.955) 2.280 25.590 ( -4.402 5.236 1.933) 7.109 25.823 ( -5.919 -16.018 3.311) 17.394 26.308 ( -10.887 -8.998 17.733) 22.670 26.376 ( 0.797 -3.322 -2.899) 4.481 27.017 ( -3.468 4.633 -4.145) 7.118 27.184 ( -0.681 -4.105 3.172) 5.232 27.749 ( 8.909 -0.676 -5.666) 10.580 28.526 ( -5.436 -4.666 4.416) 8.416 28.916 ( -3.896 -20.369 -5.659) 21.496 34.125 ( 15.414 0.153 1.213) 15.462 35.768 ( -14.413 24.188 -5.312) 28.653 36.169 ( 5.465 4.593 6.544) 9.685 36.520 ( -2.144 13.104 8.893) 15.982 37.737 ( 8.192 0.517 -0.038) 8.208 38.282 ( 2.331 1.010 -2.095) 3.293 38.451 ( 3.169 0.134 -4.224) 5.282 39.166 ( -3.797 2.266 -6.167) 7.589 39.681 ( -1.851 -27.167 -4.887) 27.666 40.644 ( -8.992 -16.463 4.593) 19.313 44.529 ( 0.522 2.017 0.007) 2.083 45.127 ( 1.343 5.340 -0.406) 5.521 ======================= Grid point 38 (27/146) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 7.167 13.800 18.049) 23.824 3.230 ( -3.324 -0.488 -2.725) 4.326 3.296 ( 11.760 22.867 3.392) 25.936 3.407 ( 1.736 -2.303 -4.126) 5.034 3.572 ( 3.314 7.346 -2.081) 8.323 3.648 ( 7.551 18.218 1.040) 19.748 3.659 ( 4.320 10.790 -5.535) 12.873 3.883 ( 3.163 2.502 1.941) 4.475 3.911 ( 4.769 3.471 -1.655) 6.126 4.028 ( -1.007 4.848 0.762) 5.010 4.112 ( 0.531 -3.257 -0.134) 3.303 4.161 ( -0.183 0.468 -0.769) 0.919 5.097 ( 1.163 -1.896 0.071) 2.226 5.755 ( -2.051 -8.153 -0.059) 8.407 5.862 ( -3.741 -8.491 -2.568) 9.628 6.097 ( -2.056 -0.922 0.013) 2.253 6.188 ( -2.464 -2.610 -0.314) 3.603 6.644 ( -3.878 -2.296 -0.798) 4.576 8.378 ( 1.091 4.287 -1.057) 4.548 8.401 ( 0.880 3.123 -0.867) 3.358 8.618 ( -2.198 -6.303 1.764) 6.905 8.747 ( -3.409 -8.268 1.535) 9.074 12.209 ( -0.202 -2.981 -1.684) 3.430 12.852 ( -0.533 -2.141 -0.273) 2.223 12.923 ( -0.904 -0.019 1.644) 1.876 13.303 ( 2.653 3.827 4.543) 6.505 13.667 ( 0.044 -1.114 2.365) 2.615 14.066 ( -1.131 -3.456 -6.652) 7.581 15.804 ( -1.858 1.109 2.990) 3.691 15.845 ( -0.120 2.286 0.171) 2.295 21.163 ( 3.036 -0.062 -1.940) 3.603 21.581 ( 7.392 4.344 -0.002) 8.574 21.972 ( 0.702 -2.243 -2.604) 3.508 22.587 ( 4.582 1.312 7.948) 9.267 22.721 ( 8.497 2.732 -2.932) 9.394 22.752 ( -0.953 2.433 -1.676) 3.105 23.659 ( 0.101 5.224 -10.890) 12.079 24.602 ( 4.316 6.619 1.725) 8.088 25.358 ( -7.607 0.515 7.063) 10.393 25.524 ( -3.690 1.397 3.408) 5.214 25.675 ( -2.291 -5.744 -1.654) 6.401 26.029 ( -18.478 -4.399 13.485) 23.294 26.340 ( 1.031 -8.242 -1.881) 8.517 26.955 ( -7.922 7.209 -9.974) 14.636 27.191 ( 5.691 -6.702 7.659) 11.660 27.878 ( 8.219 0.481 -2.762) 8.684 28.413 ( -5.410 -2.411 2.651) 6.489 28.645 ( -4.627 -16.815 -5.542) 18.300 34.457 ( 22.306 1.469 2.247) 22.467 35.651 ( -17.534 16.365 -12.035) 26.834 36.323 ( 5.938 -0.661 11.097) 12.603 36.600 ( -6.323 10.804 9.841) 15.923 37.924 ( 10.975 5.056 -0.814) 12.111 38.328 ( 0.673 5.181 -7.138) 8.845 38.545 ( 10.408 -1.669 2.310) 10.791 39.049 ( -9.360 -2.917 0.454) 9.814 39.400 ( -1.467 -19.931 -10.451) 22.553 40.341 ( -12.248 -12.041 3.918) 17.616 44.555 ( 0.666 1.379 0.023) 1.532 45.194 ( 1.659 3.602 -0.331) 3.980 ======================= Grid point 39 (28/146) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 6.395 9.634 14.153) 18.276 3.124 ( -7.165 -1.407 -2.659) 7.771 3.384 ( 2.114 -3.975 -6.463) 7.877 3.632 ( 1.888 1.453 -2.129) 3.195 3.662 ( 9.226 14.263 1.958) 17.099 3.794 ( 2.909 7.713 -2.601) 8.644 3.929 ( 4.992 8.086 0.512) 9.517 3.941 ( 3.760 -0.414 1.189) 3.965 4.020 ( 2.270 3.531 -0.475) 4.224 4.040 ( -0.501 1.897 -0.937) 2.175 4.095 ( -1.120 1.848 0.982) 2.373 4.183 ( 1.419 2.286 0.041) 2.690 5.097 ( 1.213 -1.872 -0.935) 2.418 5.650 ( -1.758 -6.282 0.908) 6.587 5.705 ( -3.748 -7.926 -2.166) 9.031 6.071 ( -1.168 1.396 -0.925) 2.042 6.144 ( -1.867 -0.557 1.261) 2.321 6.571 ( -3.031 -0.475 0.391) 3.093 8.415 ( -0.384 2.522 -0.512) 2.602 8.444 ( 2.176 1.830 -1.234) 3.099 8.545 ( -1.220 -3.860 1.016) 4.174 8.629 ( -3.216 -5.726 1.356) 6.706 12.184 ( 0.506 -1.722 -1.236) 2.179 12.824 ( -0.599 -1.459 -0.073) 1.579 12.914 ( -0.879 0.443 0.972) 1.384 13.380 ( 1.702 1.736 2.377) 3.400 13.667 ( 0.189 -0.604 0.762) 0.991 14.010 ( -0.176 -1.775 -3.752) 4.155 15.784 ( -2.258 0.565 1.595) 2.822 15.864 ( -0.344 1.826 1.000) 2.110 21.202 ( 2.395 -0.167 -1.533) 2.849 21.737 ( 4.101 6.595 0.265) 7.771 21.952 ( 1.703 -3.425 -3.221) 5.000 22.700 ( 6.143 -1.380 1.524) 6.478 22.751 ( -2.464 4.579 -0.581) 5.232 22.896 ( 5.180 8.864 2.693) 10.614 23.615 ( 4.408 -12.381 -10.140) 16.599 24.724 ( 2.531 5.369 0.259) 5.941 25.238 ( -14.458 6.172 7.311) 17.337 25.531 ( -10.058 -0.514 8.862) 13.415 25.567 ( 2.316 5.763 0.558) 6.236 25.819 ( -5.340 -3.841 2.753) 7.130 26.219 ( -0.272 -16.458 -2.473) 16.645 26.891 ( -5.727 11.152 -5.626) 13.741 27.245 ( 6.214 -8.883 3.388) 11.359 28.010 ( 5.990 4.411 -0.733) 7.475 28.305 ( -7.356 -1.340 1.166) 7.568 28.447 ( 0.785 -12.906 -4.080) 13.559 34.857 ( 18.909 7.128 3.062) 20.438 35.455 ( -14.074 6.542 -9.869) 18.392 36.415 ( 3.780 -4.063 8.269) 9.958 36.574 ( -7.592 2.484 5.961) 9.967 38.171 ( 10.541 9.823 -0.800) 14.431 38.356 ( -0.376 5.313 -5.697) 7.799 38.754 ( 11.642 1.602 4.198) 12.479 38.824 ( -11.054 -6.516 2.159) 13.012 39.187 ( -1.493 -13.278 -10.546) 17.023 40.080 ( -8.841 -7.364 3.056) 11.905 44.575 ( 0.411 0.709 0.023) 0.820 45.243 ( 1.099 1.831 -0.186) 2.143 ======================= Grid point 40 (29/146) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -11.556 -1.231 -1.954) 11.785 3.171 ( 4.168 5.336 8.946) 11.220 3.369 ( 2.981 -3.150 -5.810) 7.250 3.663 ( 1.477 0.510 -0.687) 1.707 3.827 ( -3.194 1.873 0.145) 3.706 3.865 ( 0.368 4.197 0.228) 4.219 3.925 ( -1.458 -0.666 -0.748) 1.769 4.016 ( 0.560 1.907 -0.276) 2.007 4.029 ( -0.590 2.248 0.399) 2.358 4.061 ( -0.225 -0.166 -0.619) 0.680 4.121 ( -0.475 0.607 0.033) 0.772 4.212 ( -2.937 3.185 0.941) 4.433 5.098 ( 1.037 -1.073 -0.985) 1.788 5.605 ( 1.502 -3.172 0.261) 3.519 5.633 ( 3.307 -2.779 -0.654) 4.369 6.077 ( -0.158 2.545 -1.077) 2.768 6.113 ( -1.531 -1.002 1.564) 2.407 6.545 ( -0.366 0.454 0.880) 1.056 8.426 ( 0.479 0.564 0.308) 0.801 8.490 ( 1.814 0.355 -0.931) 2.069 8.513 ( -0.130 -0.964 -0.194) 0.992 8.552 ( -1.296 -2.258 0.828) 2.732 12.185 ( 1.368 -0.668 -0.588) 1.632 12.807 ( -0.237 -0.632 -0.053) 0.677 12.910 ( -0.401 0.442 0.429) 0.735 13.395 ( -1.575 0.094 0.370) 1.621 13.664 ( -0.274 -0.265 0.012) 0.381 14.012 ( 2.763 -0.279 -1.005) 2.954 15.756 ( -2.031 0.234 0.685) 2.156 15.872 ( -0.693 0.909 0.744) 1.364 21.226 ( 1.253 -0.176 -0.858) 1.529 21.801 ( -3.775 5.107 0.087) 6.352 21.965 ( 4.648 -2.383 -1.796) 5.523 22.710 ( -4.073 1.335 -2.600) 5.014 22.781 ( 0.859 1.177 0.750) 1.639 22.996 ( -5.941 7.978 4.188) 10.793 23.617 ( 19.105 -16.306 -6.649) 25.983 24.795 ( 2.375 3.317 -1.332) 4.292 24.989 ( -19.988 1.836 2.250) 20.198 25.531 ( -2.487 9.943 15.197) 18.330 25.653 ( -6.317 10.924 1.460) 12.703 25.740 ( 1.138 -6.151 -3.033) 6.952 26.079 ( 9.972 -19.282 -5.844) 22.481 26.948 ( -1.864 14.457 1.845) 14.693 27.221 ( 2.488 -12.213 -2.301) 12.674 28.116 ( -4.310 5.899 -1.163) 7.398 28.204 ( 2.201 -1.348 1.709) 3.095 28.403 ( 6.473 -7.425 -2.120) 10.076 35.054 ( -15.431 15.171 -3.725) 21.958 35.406 ( 17.421 -7.687 2.661) 19.227 36.388 ( -9.511 2.743 -0.116) 9.900 36.490 ( 1.214 -8.384 3.842) 9.302 38.344 ( -7.267 3.826 -2.261) 8.518 38.426 ( 7.448 10.086 0.436) 12.546 38.631 ( -1.684 -5.200 2.131) 5.866 38.863 ( -6.992 -0.109 -2.557) 7.446 39.133 ( 15.036 -6.040 -2.193) 16.352 39.956 ( -0.859 -3.135 1.670) 3.654 44.581 ( -0.142 0.202 0.002) 0.247 45.261 ( -0.163 0.539 -0.042) 0.564 ======================= Grid point 41 (30/146) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -16.272 0.000 0.000) 16.272 3.265 ( 2.639 -0.000 -0.000) 2.639 3.392 ( 2.591 -0.000 -0.000) 2.591 3.631 ( -18.641 0.000 0.000) 18.641 3.679 ( -0.251 0.000 0.000) 0.251 3.861 ( -4.552 0.000 0.000) 4.552 3.881 ( -2.982 0.000 0.000) 2.982 3.952 ( -15.384 0.000 0.000) 15.384 4.010 ( -2.497 0.000 0.000) 2.497 4.070 ( -3.009 0.000 0.000) 3.009 4.071 ( 2.904 -0.000 -0.000) 2.904 4.182 ( -1.267 0.000 0.000) 1.267 5.104 ( 0.416 -0.000 -0.000) 0.416 5.657 ( 6.292 -0.000 -0.000) 6.292 5.741 ( 10.345 -0.000 -0.000) 10.345 6.077 ( -1.372 0.000 0.000) 1.372 6.115 ( 2.577 -0.000 -0.000) 2.577 6.569 ( 2.727 -0.000 -0.000) 2.727 8.440 ( -0.179 0.000 0.000) 0.179 8.458 ( -3.581 0.000 0.000) 3.581 8.525 ( 2.398 -0.000 -0.000) 2.398 8.597 ( 6.305 -0.000 -0.000) 6.305 12.210 ( 2.203 -0.000 -0.000) 2.203 12.806 ( 0.510 -0.000 -0.000) 0.510 12.912 ( 0.328 -0.000 -0.000) 0.328 13.339 ( -5.160 0.000 0.000) 5.160 13.652 ( -0.979 0.000 0.000) 0.979 14.081 ( 5.580 -0.000 -0.000) 5.580 15.730 ( -1.349 0.000 0.000) 1.349 15.864 ( -0.996 0.000 0.000) 0.996 21.233 ( -0.125 0.000 0.000) 0.125 21.731 ( -7.095 0.000 0.000) 7.095 22.018 ( 2.788 -0.000 -0.000) 2.788 22.588 ( -9.713 0.000 0.000) 9.713 22.785 ( -0.567 0.000 0.000) 0.567 22.941 ( -4.511 0.000 0.000) 4.511 23.827 ( 13.016 -0.000 -0.000) 13.016 24.706 ( -15.125 0.000 0.000) 15.125 24.898 ( 9.771 -0.000 -0.000) 9.771 25.551 ( -8.926 0.000 0.000) 8.926 25.651 ( 2.176 -0.000 -0.000) 2.176 25.686 ( 1.255 -0.000 -0.000) 1.255 26.210 ( 14.539 -0.000 -0.000) 14.539 27.085 ( -1.242 0.000 0.000) 1.242 27.091 ( 0.084 -0.000 -0.000) 0.084 28.036 ( -4.434 0.000 0.000) 4.434 28.280 ( 3.413 -0.000 -0.000) 3.413 28.522 ( 12.619 -0.000 -0.000) 12.619 34.810 ( -17.927 0.000 0.000) 17.927 35.667 ( 12.431 -0.000 -0.000) 12.431 36.228 ( -9.160 0.000 0.000) 9.160 36.455 ( -1.881 0.000 0.000) 1.881 38.168 ( -12.854 0.000 0.000) 12.854 38.552 ( 2.077 -0.000 -0.000) 2.077 38.600 ( -9.869 0.000 0.000) 9.869 38.799 ( 9.959 -0.000 -0.000) 9.959 39.396 ( 17.790 -0.000 -0.000) 17.790 40.001 ( 7.522 -0.000 -0.000) 7.522 44.574 ( -0.836 0.000 0.000) 0.836 45.247 ( -1.932 0.000 0.000) 1.932 ======================= Grid point 48 (31/146) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 0.000 16.342 20.093) 25.900 3.072 ( -0.000 27.873 3.971) 28.155 3.270 ( -0.000 1.807 -1.941) 2.651 3.369 ( -0.000 3.397 -1.302) 3.638 3.497 ( -0.000 14.915 2.554) 15.132 3.544 ( -0.000 9.255 -6.032) 11.047 3.569 ( -0.000 13.736 -6.804) 15.328 3.819 ( -0.000 4.047 -4.529) 6.074 3.835 ( 0.000 0.780 4.206) 4.278 4.045 ( -0.000 5.876 1.455) 6.054 4.082 ( 0.000 -5.201 -0.631) 5.239 4.174 ( -0.000 0.123 -0.492) 0.508 5.077 ( 0.000 -1.784 0.403) 1.829 5.782 ( 0.000 -7.345 -1.306) 7.460 5.930 ( 0.000 -7.450 -1.854) 7.677 6.135 ( 0.000 -2.204 0.837) 2.357 6.236 ( 0.000 -5.273 -1.445) 5.468 6.716 ( -0.000 -3.085 -1.302) 3.348 8.350 ( -0.000 4.220 -0.734) 4.283 8.396 ( -0.000 5.416 -1.037) 5.514 8.663 ( 0.000 -7.406 1.981) 7.666 8.807 ( 0.000 -9.310 1.328) 9.404 12.215 ( -0.000 -3.639 -1.770) 4.047 12.858 ( -0.000 -2.002 -1.162) 2.315 12.940 ( 0.000 -0.417 2.853) 2.883 13.255 ( 0.000 4.336 4.802) 6.470 13.668 ( 0.000 -1.654 3.421) 3.800 14.086 ( -0.000 -3.927 -7.378) 8.358 15.836 ( 0.000 2.581 3.246) 4.147 15.849 ( -0.000 1.218 -0.086) 1.221 21.090 ( -0.000 -0.439 -2.105) 2.150 21.413 ( -0.000 1.203 0.211) 1.221 21.961 ( -0.000 -2.132 -1.241) 2.466 22.525 ( 0.000 0.810 1.887) 2.053 22.528 ( 0.000 0.345 1.423) 1.464 22.770 ( -0.000 2.350 -1.767) 2.940 23.714 ( -0.000 17.852 -9.523) 20.233 24.503 ( 0.000 4.553 1.856) 4.917 25.407 ( 0.000 1.622 2.256) 2.779 25.659 ( -0.000 -0.184 -4.250) 4.254 25.750 ( 0.000 -12.252 8.568) 14.951 26.259 ( -0.000 -5.620 -3.211) 6.473 26.472 ( 0.000 -2.421 23.524) 23.648 27.071 ( -0.000 3.445 -6.997) 7.799 27.175 ( 0.000 -2.381 0.758) 2.499 27.647 ( -0.000 0.435 -3.646) 3.671 28.503 ( 0.000 -9.782 -1.123) 9.847 28.763 ( 0.000 -14.769 -3.473) 15.172 33.995 ( 0.000 0.244 0.698) 0.740 36.085 ( -0.000 -0.763 -0.546) 0.938 36.160 ( -0.000 20.821 -2.249) 20.942 36.769 ( 0.000 22.055 13.981) 26.113 37.657 ( 0.000 -0.532 0.335) 0.628 38.242 ( 0.000 -1.241 -0.195) 1.256 38.403 ( -0.000 -1.581 -8.269) 8.419 39.203 ( -0.000 1.281 -2.058) 2.424 39.428 ( 0.000 -24.627 -5.358) 25.203 40.583 ( 0.000 -14.241 2.792) 14.512 44.543 ( -0.000 1.690 -0.017) 1.690 45.163 ( -0.000 4.563 -0.344) 4.576 ======================= Grid point 49 (32/146) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 3.313 13.378 17.462) 22.245 3.255 ( -1.172 -0.852 -2.308) 2.726 3.335 ( 0.482 -4.678 -7.088) 8.506 3.376 ( 5.925 22.181 2.804) 23.129 3.575 ( 1.151 3.513 -2.734) 4.598 3.691 ( 2.327 10.916 -4.494) 12.032 3.734 ( 3.456 15.537 2.860) 16.172 3.860 ( 1.903 -0.800 2.530) 3.265 3.879 ( 3.109 5.833 -2.661) 7.125 4.038 ( 1.622 -6.259 -0.332) 6.474 4.089 ( -0.636 3.730 -0.456) 3.811 4.181 ( -0.406 2.240 0.906) 2.450 5.065 ( 0.585 -1.791 -0.320) 1.911 5.709 ( -0.765 -6.032 -0.677) 6.118 5.829 ( -2.582 -7.928 -1.618) 8.493 6.112 ( -0.962 -1.211 0.438) 1.608 6.188 ( -0.758 -2.430 -0.208) 2.554 6.672 ( -2.108 -1.677 -0.578) 2.755 8.395 ( 0.826 4.119 -0.960) 4.309 8.439 ( -0.537 4.951 -0.995) 5.079 8.591 ( -1.198 -6.446 1.660) 6.763 8.713 ( -1.521 -8.240 1.377) 8.492 12.179 ( -0.044 -2.490 -1.410) 2.862 12.837 ( -0.123 -1.583 -0.825) 1.789 12.942 ( -0.570 0.031 2.071) 2.148 13.315 ( 1.372 2.944 3.314) 4.640 13.663 ( -0.000 -1.214 1.793) 2.166 14.029 ( -0.442 -2.674 -5.084) 5.761 15.847 ( -1.269 0.846 1.041) 1.847 15.870 ( 0.027 2.066 1.584) 2.603 21.105 ( 2.803 -0.342 -1.693) 3.292 21.478 ( 6.599 1.209 -0.005) 6.709 21.938 ( 0.196 -2.024 -1.671) 2.632 22.543 ( 2.419 -0.818 2.640) 3.673 22.595 ( 6.418 0.784 -0.900) 6.528 22.785 ( 0.033 2.293 -1.197) 2.587 23.796 ( -6.385 12.959 -6.463) 15.827 24.583 ( 4.042 3.932 1.459) 5.824 25.424 ( -0.605 0.358 3.142) 3.219 25.574 ( 0.625 -11.073 2.848) 11.451 25.679 ( -6.322 3.201 -0.360) 7.095 26.217 ( -0.336 -6.015 2.188) 6.409 26.407 ( -14.177 1.151 11.861) 18.519 27.053 ( -1.461 3.138 -7.528) 8.286 27.132 ( -2.410 -3.362 3.049) 5.139 27.732 ( 8.955 1.296 -1.173) 9.125 28.379 ( -0.163 -11.924 -3.753) 12.502 28.614 ( -5.202 -6.440 -1.018) 8.341 34.132 ( 15.669 0.033 0.632) 15.682 36.035 ( -9.334 11.384 -8.712) 17.106 36.247 ( -1.823 -0.697 6.286) 6.582 36.944 ( -9.888 18.767 12.677) 24.712 37.772 ( 12.067 3.846 0.016) 12.665 38.291 ( 5.217 1.451 -3.850) 6.644 38.368 ( 4.922 -6.339 -4.182) 9.049 39.131 ( -5.283 -12.132 5.892) 14.485 39.234 ( -0.690 -5.752 -10.974) 12.410 40.411 ( -7.392 -9.815 1.855) 12.426 44.559 ( 0.351 1.120 -0.005) 1.174 45.205 ( 0.767 3.009 -0.252) 3.116 ======================= Grid point 50 (33/146) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 4.194 9.846 14.138) 17.731 3.201 ( -3.798 -0.754 -1.470) 4.142 3.272 ( 1.950 -6.107 -9.430) 11.403 3.609 ( 1.519 1.109 -1.175) 2.218 3.672 ( 6.922 14.197 1.494) 15.865 3.804 ( 3.202 5.001 -2.093) 6.297 3.868 ( 3.269 -1.042 0.570) 3.478 3.920 ( 3.694 3.542 0.821) 5.183 3.995 ( 4.256 3.877 -0.193) 5.760 4.020 ( 2.731 -4.529 -0.235) 5.294 4.101 ( 0.057 1.472 -0.795) 1.675 4.210 ( -0.127 3.882 0.980) 4.006 5.062 ( 0.990 -1.125 -0.442) 1.563 5.642 ( -1.909 -3.185 0.445) 3.739 5.699 ( -4.287 -5.607 -1.436) 7.203 6.090 ( -0.882 -0.053 -0.131) 0.893 6.165 ( -0.817 -0.445 0.393) 1.011 6.617 ( -3.017 -0.526 0.004) 3.063 8.440 ( 0.419 2.591 -0.973) 2.799 8.459 ( -1.255 3.676 -0.711) 3.949 8.525 ( -0.846 -4.475 1.146) 4.697 8.624 ( -1.899 -4.905 1.006) 5.355 12.160 ( 0.290 -1.137 -0.750) 1.393 12.819 ( -0.305 -0.854 -0.327) 0.964 12.936 ( -0.907 0.193 0.933) 1.316 13.372 ( 1.858 1.260 1.551) 2.729 13.660 ( 0.190 -0.529 0.571) 0.801 13.990 ( -0.412 -1.202 -2.381) 2.698 15.828 ( -2.014 0.340 0.595) 2.128 15.887 ( -0.274 1.158 0.896) 1.489 21.150 ( 3.178 -0.143 -0.911) 3.309 21.640 ( 10.629 1.676 0.015) 10.761 21.915 ( -0.411 -1.518 -1.502) 2.175 22.600 ( 4.752 -0.920 0.641) 4.883 22.735 ( 7.051 0.154 -0.151) 7.054 22.840 ( 6.856 4.099 0.636) 8.013 23.667 ( -15.409 1.238 -4.403) 16.073 24.700 ( 5.098 2.521 0.682) 5.728 25.445 ( 1.158 2.213 8.311) 8.678 25.552 ( -0.160 -0.545 3.078) 3.130 25.586 ( -3.061 -1.289 -7.114) 7.851 26.041 ( -17.863 -2.634 6.977) 19.357 26.213 ( -9.615 -2.533 -1.605) 10.072 27.023 ( -3.321 7.788 -11.557) 14.327 27.104 ( 2.593 -8.231 9.877) 13.115 27.914 ( 9.961 3.156 0.302) 10.454 28.277 ( 1.467 -8.829 -2.576) 9.313 28.462 ( -8.600 -1.552 -0.353) 8.746 34.480 ( 25.344 0.262 0.656) 25.354 35.857 ( -22.472 10.734 -7.350) 25.966 36.258 ( 7.158 -7.508 6.428) 12.204 36.877 ( -15.867 7.355 5.795) 18.424 38.071 ( 13.728 10.254 0.869) 17.156 38.307 ( 4.015 -4.463 -6.686) 8.986 38.526 ( 15.382 -1.017 2.143) 15.564 38.920 ( -8.519 -9.063 2.363) 12.661 39.144 ( -4.283 -1.365 -5.533) 7.129 40.194 ( -10.542 -4.688 1.202) 11.599 44.574 ( 0.433 0.493 0.011) 0.656 45.240 ( 0.973 1.294 -0.126) 1.624 ======================= Grid point 51 (34/146) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( -7.742 0.000 0.000) 7.742 3.177 ( 2.460 -0.000 -0.000) 2.460 3.260 ( 5.017 -0.000 -0.000) 5.017 3.637 ( 1.680 -0.000 -0.000) 1.680 3.832 ( 2.980 -0.000 -0.000) 2.980 3.888 ( 4.480 -0.000 -0.000) 4.480 3.890 ( 0.820 -0.000 -0.000) 0.820 3.993 ( 2.893 -0.000 -0.000) 2.893 4.034 ( 1.454 -0.000 -0.000) 1.454 4.054 ( 0.740 -0.000 -0.000) 0.740 4.122 ( 1.152 -0.000 -0.000) 1.152 4.244 ( 0.964 -0.000 -0.000) 0.964 5.073 ( 1.090 -0.000 -0.000) 1.090 5.601 ( -1.151 0.000 0.000) 1.151 5.601 ( -2.897 0.000 0.000) 2.897 6.083 ( -0.055 0.000 0.000) 0.055 6.144 ( -1.716 0.000 0.000) 1.716 6.570 ( -2.271 0.000 0.000) 2.271 8.433 ( -1.002 0.000 0.000) 1.002 8.478 ( -0.029 0.000 0.000) 0.029 8.500 ( 0.763 -0.000 -0.000) 0.763 8.572 ( -2.033 0.000 0.000) 2.033 12.162 ( 0.812 -0.000 -0.000) 0.812 12.809 ( -0.401 0.000 0.000) 0.401 12.923 ( -0.842 0.000 0.000) 0.842 13.403 ( 0.782 -0.000 -0.000) 0.782 13.663 ( 0.250 -0.000 -0.000) 0.250 13.981 ( 0.620 -0.000 -0.000) 0.620 15.794 ( -2.313 0.000 0.000) 2.313 15.888 ( -0.508 0.000 0.000) 0.508 21.194 ( 2.381 -0.000 -0.000) 2.381 21.823 ( 9.526 -0.000 -0.000) 9.526 21.882 ( -2.258 0.000 0.000) 2.258 22.677 ( 4.594 -0.000 -0.000) 4.594 22.782 ( 0.963 -0.000 -0.000) 0.963 23.133 ( 21.735 -0.000 -0.000) 21.735 23.338 ( -20.184 0.000 0.000) 20.184 24.776 ( 2.460 -0.000 -0.000) 2.460 25.331 ( -18.077 0.000 0.000) 18.077 25.614 ( 3.501 -0.000 -0.000) 3.501 25.662 ( 14.592 -0.000 -0.000) 14.592 25.768 ( -12.291 0.000 0.000) 12.291 25.987 ( -14.375 0.000 0.000) 14.375 27.060 ( 1.588 -0.000 -0.000) 1.588 27.084 ( 0.929 -0.000 -0.000) 0.929 28.090 ( 8.339 -0.000 -0.000) 8.339 28.261 ( 2.091 -0.000 -0.000) 2.091 28.304 ( -8.369 0.000 0.000) 8.369 34.932 ( 28.062 -0.000 -0.000) 28.062 35.502 ( -23.865 0.000 0.000) 23.865 36.359 ( 7.188 -0.000 -0.000) 7.188 36.649 ( -15.941 0.000 0.000) 15.941 38.330 ( 5.767 -0.000 -0.000) 5.767 38.360 ( 10.256 -0.000 -0.000) 10.256 38.711 ( -11.347 0.000 0.000) 11.347 38.806 ( 17.999 -0.000 -0.000) 17.999 39.022 ( -8.366 0.000 0.000) 8.366 40.016 ( -7.846 0.000 0.000) 7.846 44.582 ( 0.239 -0.000 -0.000) 0.239 45.260 ( 0.676 -0.000 -0.000) 0.676 ======================= Grid point 61 (35/146) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 0.000 11.569 15.474) 19.321 3.209 ( -0.000 -6.323 -8.775) 10.816 3.287 ( -0.000 -1.332 -2.722) 3.030 3.526 ( -0.000 17.153 1.750) 17.242 3.584 ( -0.000 1.634 -1.276) 2.073 3.743 ( -0.000 4.460 -2.013) 4.893 3.817 ( -0.000 6.005 0.981) 6.085 3.836 ( 0.000 0.295 0.348) 0.456 3.905 ( -0.000 5.703 -1.029) 5.795 3.953 ( 0.000 -7.968 0.287) 7.973 4.112 ( -0.000 0.965 -1.075) 1.445 4.221 ( 0.000 3.702 1.525) 4.004 5.044 ( 0.000 -1.149 -0.344) 1.199 5.667 ( 0.000 -3.362 -0.554) 3.407 5.785 ( 0.000 -5.083 -0.768) 5.141 6.111 ( 0.000 -0.722 0.303) 0.783 6.175 ( 0.000 -1.263 -0.004) 1.263 6.676 ( 0.000 -0.800 -0.277) 0.847 8.424 ( -0.000 3.846 -0.878) 3.945 8.490 ( -0.000 4.875 -0.919) 4.961 8.550 ( 0.000 -5.163 1.277) 5.319 8.657 ( 0.000 -6.639 1.100) 6.730 12.157 ( -0.000 -1.364 -0.797) 1.580 12.823 ( -0.000 -0.848 -0.535) 1.003 12.953 ( 0.000 0.076 1.268) 1.270 13.334 ( 0.000 1.563 1.710) 2.317 13.658 ( 0.000 -0.752 0.879) 1.157 14.000 ( -0.000 -1.416 -2.684) 3.035 15.865 ( -0.000 0.456 -0.023) 0.457 15.891 ( 0.000 1.188 1.503) 1.916 21.071 ( -0.000 -0.289 -0.962) 1.005 21.427 ( -0.000 0.329 -0.009) 0.329 21.916 ( -0.000 -1.203 -0.909) 1.508 22.520 ( -0.000 -0.610 -0.299) 0.680 22.545 ( 0.000 0.268 0.704) 0.753 22.795 ( -0.000 0.971 -0.689) 1.190 23.961 ( -0.000 9.712 -2.873) 10.128 24.577 ( 0.000 1.926 0.779) 2.078 25.450 ( 0.000 1.075 1.412) 1.775 25.460 ( 0.000 -8.382 0.789) 8.420 25.771 ( 0.000 1.456 0.920) 1.722 26.157 ( -0.000 -2.648 -1.766) 3.183 26.615 ( 0.000 1.230 15.093) 15.143 27.055 ( -0.000 1.018 -8.151) 8.214 27.146 ( 0.000 -0.963 0.325) 1.016 27.652 ( -0.000 0.876 -0.139) 0.887 28.259 ( -0.000 -8.658 -3.781) 9.448 28.618 ( 0.000 -2.449 0.176) 2.455 34.001 ( 0.000 0.092 0.259) 0.275 36.072 ( -0.000 -0.293 -0.219) 0.365 36.390 ( -0.000 6.268 -1.733) 6.503 37.275 ( 0.000 16.988 10.418) 19.928 37.652 ( 0.000 -0.199 0.132) 0.239 38.225 ( 0.000 -0.465 -0.069) 0.470 38.242 ( -0.000 -7.751 -7.729) 10.946 39.045 ( 0.000 -10.303 0.954) 10.347 39.232 ( -0.000 1.287 -2.831) 3.110 40.404 ( 0.000 -5.346 0.689) 5.390 44.565 ( -0.000 0.601 -0.012) 0.601 45.221 ( -0.000 1.637 -0.132) 1.642 ======================= Grid point 62 (36/146) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( 2.938 -0.000 -0.000) 2.938 3.118 ( 0.989 -0.000 -0.000) 0.989 3.261 ( -2.083 0.000 0.000) 2.083 3.595 ( 0.689 -0.000 -0.000) 0.689 3.676 ( 5.109 -0.000 -0.000) 5.109 3.746 ( 1.433 -0.000 -0.000) 1.433 3.851 ( 0.773 -0.000 -0.000) 0.773 3.890 ( 2.223 -0.000 -0.000) 2.223 3.918 ( 3.627 -0.000 -0.000) 3.627 3.960 ( 2.988 -0.000 -0.000) 2.988 4.110 ( -0.394 0.000 0.000) 0.394 4.239 ( -0.508 0.000 0.000) 0.508 5.043 ( 0.577 -0.000 -0.000) 0.577 5.646 ( -0.559 0.000 0.000) 0.559 5.733 ( -3.043 0.000 0.000) 3.043 6.102 ( -0.703 0.000 0.000) 0.703 6.168 ( -0.092 0.000 0.000) 0.092 6.656 ( -1.907 0.000 0.000) 1.907 8.450 ( 0.543 -0.000 -0.000) 0.543 8.506 ( -1.234 0.000 0.000) 1.234 8.513 ( -1.162 0.000 0.000) 1.162 8.617 ( -0.643 0.000 0.000) 0.643 12.150 ( 0.103 -0.000 -0.000) 0.103 12.818 ( -0.094 0.000 0.000) 0.094 12.951 ( -0.574 0.000 0.000) 0.574 13.355 ( 1.203 -0.000 -0.000) 1.203 13.656 ( 0.062 -0.000 -0.000) 0.062 13.986 ( -0.274 0.000 0.000) 0.274 15.857 ( -1.171 0.000 0.000) 1.171 15.898 ( -0.153 0.000 0.000) 0.153 21.095 ( 2.928 -0.000 -0.000) 2.928 21.489 ( 7.237 -0.000 -0.000) 7.237 21.910 ( -0.001 0.000 0.000) 0.001 22.537 ( 2.525 -0.000 -0.000) 2.525 22.602 ( 6.580 -0.000 -0.000) 6.580 22.805 ( 0.998 -0.000 -0.000) 0.998 23.912 ( -10.903 0.000 0.000) 10.903 24.627 ( 4.477 -0.000 -0.000) 4.477 25.416 ( 0.873 -0.000 -0.000) 0.873 25.496 ( 3.519 -0.000 -0.000) 3.519 25.706 ( -7.576 0.000 0.000) 7.576 26.161 ( 0.223 -0.000 -0.000) 0.223 26.477 ( -17.977 0.000 0.000) 17.977 27.050 ( 0.716 -0.000 -0.000) 0.716 27.109 ( -3.727 0.000 0.000) 3.727 27.754 ( 10.168 -0.000 -0.000) 10.168 28.212 ( 0.384 -0.000 -0.000) 0.384 28.567 ( -4.855 0.000 0.000) 4.855 34.135 ( 15.652 -0.000 -0.000) 15.652 36.115 ( 5.306 -0.000 -0.000) 5.306 36.255 ( -17.872 0.000 0.000) 17.872 37.198 ( -15.975 0.000 0.000) 15.975 37.862 ( 18.110 -0.000 -0.000) 18.110 38.197 ( 1.892 -0.000 -0.000) 1.892 38.311 ( 10.059 -0.000 -0.000) 10.059 38.972 ( -3.345 0.000 0.000) 3.345 39.204 ( -3.405 0.000 0.000) 3.405 40.321 ( -6.862 0.000 0.000) 6.862 44.570 ( 0.294 -0.000 -0.000) 0.294 45.233 ( 0.563 -0.000 -0.000) 0.563 ======================= Grid point 137 (37/146) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 0.000 -0.000 34.703) 34.703 0.350 ( 0.000 -0.000 34.703) 34.703 0.658 ( 0.000 -0.000 64.735) 64.735 2.984 ( -0.000 0.000 -17.227) 17.227 2.984 ( -0.000 0.000 -17.227) 17.227 3.436 ( -0.000 0.000 -1.926) 1.926 3.452 ( 0.000 -0.000 12.489) 12.489 3.452 ( 0.000 -0.000 12.489) 12.489 3.599 ( 0.000 -0.000 0.243) 0.243 3.908 ( -0.000 0.000 -3.697) 3.697 4.222 ( -0.000 0.000 -0.917) 0.917 4.222 ( -0.000 0.000 -0.917) 0.917 5.289 ( 0.000 -0.000 2.241) 2.241 6.104 ( -0.000 0.000 -0.255) 0.255 6.104 ( -0.000 0.000 -0.255) 0.255 6.371 ( -0.000 0.000 -0.185) 0.185 6.371 ( -0.000 0.000 -0.185) 0.185 7.190 ( -0.000 0.000 -8.426) 8.426 8.142 ( 0.000 -0.000 -0.000) 0.000 8.142 ( 0.000 -0.000 -0.000) 0.000 9.015 ( 0.000 -0.000 1.833) 1.833 9.015 ( 0.000 -0.000 1.833) 1.833 12.499 ( 0.000 -0.000 3.528) 3.528 12.770 ( 0.000 -0.000 5.760) 5.760 13.022 ( -0.000 0.000 -0.134) 0.134 13.022 ( -0.000 0.000 -0.134) 0.134 14.371 ( -0.000 0.000 -1.192) 1.192 14.503 ( -0.000 0.000 -6.832) 6.832 15.759 ( -0.000 0.000 -1.414) 1.414 15.759 ( -0.000 0.000 -1.414) 1.414 21.058 ( 0.000 -0.000 2.188) 2.188 21.267 ( 0.000 -0.000 0.204) 0.204 21.267 ( 0.000 -0.000 0.204) 0.204 22.433 ( 0.000 -0.000 1.685) 1.685 22.433 ( 0.000 -0.000 1.685) 1.685 22.676 ( -0.000 0.000 -0.951) 0.951 24.228 ( -0.000 0.000 -1.900) 1.900 24.228 ( -0.000 0.000 -1.900) 1.900 25.377 ( -0.000 0.000 -0.208) 0.208 25.377 ( -0.000 0.000 -0.208) 0.208 26.557 ( 0.000 -0.000 0.020) 0.020 26.557 ( -0.000 -0.000 0.020) 0.020 26.593 ( 0.000 -0.000 0.133) 0.133 26.725 ( -0.000 0.000 -0.038) 0.038 27.322 ( 0.000 -0.000 1.142) 1.142 27.322 ( 0.000 -0.000 1.142) 1.142 29.938 ( -0.000 0.000 -0.269) 0.269 30.055 ( 0.000 -0.000 0.127) 0.127 33.984 ( 0.000 -0.000 4.701) 4.701 33.984 ( 0.000 -0.000 4.701) 4.701 36.103 ( -0.000 0.000 -8.358) 8.358 36.103 ( -0.000 0.000 -8.358) 8.358 37.716 ( 0.000 -0.000 5.252) 5.252 37.716 ( 0.000 -0.000 5.252) 5.252 38.330 ( -0.000 0.000 -1.353) 1.353 38.330 ( -0.000 0.000 -1.353) 1.353 41.433 ( 0.000 -0.000 0.618) 0.618 41.962 ( -0.000 0.000 -0.776) 0.776 44.394 ( 0.000 -0.000 0.199) 0.199 44.804 ( -0.000 0.000 -0.080) 0.080 ======================= Grid point 138 (38/146) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 28.962 16.721 21.026) 39.503 0.994 ( 33.728 19.473 17.721) 42.787 1.132 ( 23.989 13.850 42.885) 51.053 2.988 ( 5.949 3.435 -18.455) 19.692 2.999 ( 6.585 3.802 -17.669) 19.236 3.424 ( -0.470 -0.272 -2.299) 2.362 3.493 ( -0.090 -0.052 9.342) 9.343 3.526 ( 2.749 1.587 12.392) 12.792 3.630 ( 3.081 1.779 3.048) 4.685 3.885 ( -0.430 -0.248 -5.116) 5.140 4.212 ( -0.525 -0.303 -1.283) 1.419 4.218 ( -0.132 -0.076 -1.014) 1.025 5.106 ( -4.253 -2.455 11.560) 12.560 6.093 ( -0.998 -0.576 -0.162) 1.164 6.187 ( 0.468 0.270 -1.531) 1.624 6.334 ( -3.151 -1.819 -0.440) 3.665 6.575 ( 4.900 2.829 -17.833) 18.709 7.080 ( -5.475 -3.161 -5.361) 8.288 8.155 ( 1.302 0.752 -0.260) 1.526 8.169 ( 2.202 1.271 0.098) 2.545 8.990 ( -2.769 -1.598 2.266) 3.919 9.150 ( 2.927 1.690 -7.283) 8.029 12.473 ( -2.774 -1.602 2.946) 4.352 12.825 ( 2.964 1.711 7.026) 7.815 13.010 ( -0.890 -0.514 -0.153) 1.039 13.017 ( -1.008 -0.582 0.749) 1.384 13.821 ( -17.706 -10.222 30.194) 36.465 14.456 ( -1.851 -1.069 -8.824) 9.079 15.753 ( 0.294 0.170 -2.020) 2.048 15.756 ( -0.156 -0.090 -0.803) 0.823 21.081 ( 1.335 0.771 2.281) 2.753 21.282 ( 1.191 0.688 0.387) 1.428 21.620 ( 17.051 9.845 -11.057) 22.581 22.335 ( -3.463 -1.999 12.487) 13.111 22.449 ( 0.613 0.354 2.373) 2.476 22.682 ( 0.950 0.548 -1.160) 1.596 23.644 ( -13.349 -7.707 19.858) 25.138 24.213 ( 0.205 0.118 -3.366) 3.374 25.358 ( 0.007 0.004 -0.426) 0.426 25.381 ( 0.113 0.065 0.269) 0.299 26.436 ( -6.922 -3.996 -5.748) 9.845 26.532 ( -1.987 -1.147 -0.520) 2.352 26.560 ( -2.339 -1.351 -0.415) 2.733 27.150 ( -5.579 -3.221 -1.639) 6.647 27.328 ( -0.389 -0.224 2.130) 2.177 27.630 ( 28.358 16.373 -28.002) 43.085 29.017 ( -41.421 -23.914 49.103) 68.547 29.846 ( -8.170 -4.717 -0.351) 9.441 34.045 ( 2.370 1.368 8.232) 8.675 34.193 ( 18.407 10.627 3.190) 21.493 35.987 ( -4.548 -2.626 -13.906) 14.864 36.236 ( 6.467 3.734 2.599) 7.907 37.781 ( 2.152 1.242 8.451) 8.809 38.304 ( -1.407 -0.813 -2.550) 3.023 38.361 ( 3.240 1.871 -0.783) 3.823 38.726 ( 35.250 20.352 -60.429) 72.859 41.041 ( -27.168 -15.686 24.787) 39.982 41.526 ( -16.954 -9.788 11.539) 22.725 44.412 ( 1.473 0.850 0.172) 1.709 44.841 ( 3.345 1.931 -0.257) 3.871 ======================= Grid point 139 (39/146) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 22.247 12.844 27.946) 37.959 1.787 ( 33.610 19.405 11.765) 40.554 1.898 ( 34.292 19.799 16.653) 42.957 3.112 ( 10.567 6.101 -16.593) 20.597 3.138 ( 10.080 5.819 -14.154) 18.325 3.406 ( 0.049 0.028 -3.314) 3.314 3.511 ( -0.153 -0.089 4.248) 4.251 3.644 ( 4.250 2.454 10.533) 11.620 3.737 ( 4.887 2.821 5.021) 7.553 3.860 ( 0.025 0.014 -6.056) 6.057 4.189 ( -1.229 -0.710 -1.485) 2.055 4.211 ( -0.189 -0.109 -0.941) 0.966 5.103 ( 0.093 0.053 7.174) 7.175 6.061 ( -1.871 -1.080 0.023) 2.161 6.173 ( -1.321 -0.763 0.014) 1.526 6.234 ( -5.751 -3.320 -0.764) 6.685 6.507 ( -4.890 -2.823 -11.965) 13.230 6.926 ( -6.954 -4.015 -5.456) 9.708 8.195 ( 2.427 1.401 -0.564) 2.859 8.234 ( 3.678 2.124 -0.106) 4.249 8.913 ( -4.892 -2.824 2.527) 6.188 9.110 ( -4.221 -2.437 -1.899) 5.230 12.409 ( -3.493 -2.017 0.981) 4.151 12.930 ( 3.574 2.063 3.561) 5.451 12.983 ( -2.386 -1.377 2.286) 3.580 12.994 ( 0.273 0.158 3.732) 3.746 13.694 ( -4.138 -2.389 14.739) 15.495 14.367 ( -3.284 -1.896 -10.091) 10.780 15.747 ( -0.622 -0.359 0.463) 0.855 15.758 ( 0.754 0.435 -2.053) 2.230 21.128 ( 2.281 1.317 1.377) 2.972 21.317 ( 1.788 1.032 0.593) 2.148 21.878 ( 8.775 5.066 -1.000) 10.182 22.413 ( 6.409 3.700 10.595) 12.923 22.471 ( 0.514 0.297 2.506) 2.575 22.713 ( 2.336 1.349 -1.048) 2.894 23.605 ( 4.114 2.375 -0.672) 4.798 24.216 ( 1.092 0.631 -3.620) 3.834 25.351 ( -0.954 -0.551 -1.804) 2.114 25.384 ( -0.022 -0.013 0.855) 0.856 26.215 ( -10.746 -6.204 -4.319) 13.138 26.451 ( -9.669 -5.582 2.291) 11.397 26.469 ( -3.394 -1.960 -1.337) 4.141 26.998 ( -5.907 -3.411 3.507) 7.670 27.319 ( -1.134 -0.655 2.672) 2.976 27.978 ( 12.086 6.978 -16.887) 21.907 28.516 ( -18.477 -10.667 24.115) 32.198 29.599 ( -13.703 -7.912 -0.872) 15.847 34.138 ( 3.128 1.806 10.293) 10.908 34.738 ( 29.071 16.784 1.881) 33.621 35.824 ( -5.430 -3.135 -15.796) 16.995 36.414 ( 8.102 4.678 8.599) 12.707 37.860 ( 2.178 1.258 9.471) 9.799 38.253 ( -2.276 -1.314 -3.753) 4.582 38.454 ( 5.286 3.052 0.380) 6.115 38.997 ( 9.196 5.309 -34.816) 36.399 40.593 ( -20.573 -11.878 11.703) 26.482 41.151 ( -20.522 -11.848 5.805) 24.397 44.453 ( 2.172 1.254 0.047) 2.508 44.939 ( 5.412 3.125 -0.387) 6.261 ======================= Grid point 140 (40/146) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 19.332 11.161 24.006) 32.781 2.517 ( 29.916 17.272 8.368) 35.544 2.674 ( 32.109 18.538 8.787) 38.103 3.248 ( 0.983 0.568 -6.127) 6.231 3.318 ( 12.201 7.044 -12.552) 18.869 3.455 ( 6.160 3.556 -5.522) 9.004 3.526 ( 1.609 0.929 -0.762) 2.008 3.770 ( 4.168 2.407 7.658) 9.045 3.852 ( 2.959 1.708 0.108) 3.418 3.867 ( 3.937 2.273 -2.090) 5.003 4.145 ( -2.575 -1.487 -1.465) 3.315 4.205 ( -0.146 -0.084 -0.649) 0.670 5.139 ( 1.142 0.659 4.704) 4.885 6.015 ( -2.286 -1.320 0.378) 2.666 6.086 ( -7.252 -4.187 -1.198) 8.459 6.130 ( -2.837 -1.638 0.546) 3.321 6.320 ( -8.356 -4.824 -8.351) 12.761 6.748 ( -7.499 -4.329 -4.432) 9.727 8.253 ( 3.020 1.743 -0.816) 3.581 8.322 ( 4.391 2.535 -0.541) 5.099 8.802 ( -5.870 -3.389 2.498) 7.224 8.978 ( -7.237 -4.178 0.683) 8.384 12.336 ( -3.075 -1.775 -0.527) 3.589 12.930 ( -1.299 -0.750 -1.884) 2.408 12.934 ( -2.840 -1.640 2.951) 4.412 13.114 ( 6.127 3.538 8.622) 11.154 13.680 ( -1.109 -0.640 7.391) 7.501 14.251 ( -4.037 -2.331 -10.143) 11.163 15.734 ( -0.947 -0.547 1.893) 2.186 15.772 ( 0.996 0.575 -1.525) 1.909 21.184 ( 2.496 1.441 -0.166) 2.887 21.359 ( 1.696 0.979 0.700) 2.079 22.010 ( 4.032 2.328 -0.244) 4.662 22.485 ( 0.062 0.036 2.118) 2.119 22.636 ( 9.254 5.343 11.844) 15.952 22.775 ( 3.521 2.033 -0.836) 4.150 23.780 ( 13.463 7.773 -11.097) 19.100 24.237 ( 1.727 0.997 -2.412) 3.129 25.265 ( -7.049 -4.070 -2.650) 8.560 25.386 ( -0.195 -0.113 1.375) 1.393 26.000 ( -6.845 -3.952 -0.414) 7.915 26.136 ( -19.925 -11.504 11.012) 25.507 26.382 ( -3.840 -2.217 -2.060) 4.889 26.959 ( 1.287 0.743 -1.067) 1.830 27.297 ( -1.682 -0.971 2.437) 3.116 28.076 ( 1.011 0.583 -5.395) 5.520 28.334 ( -3.876 -2.238 6.390) 7.802 29.274 ( -15.003 -8.662 -1.211) 17.367 34.242 ( 3.039 1.754 9.606) 10.227 35.405 ( 30.451 17.581 0.251) 35.163 35.659 ( -4.820 -2.783 -13.406) 14.515 36.635 ( 8.612 4.972 11.483) 15.190 37.936 ( 1.941 1.121 8.949) 9.226 38.182 ( -2.797 -1.615 -4.943) 5.904 38.587 ( 6.395 3.692 1.360) 7.509 38.984 ( -1.103 -0.637 -20.331) 20.371 40.200 ( -17.349 -10.016 0.724) 20.046 40.703 ( -20.920 -12.078 4.450) 24.563 44.502 ( 2.147 1.239 -0.020) 2.479 45.059 ( 5.475 3.161 -0.428) 6.337 ======================= Grid point 141 (41/146) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 15.529 8.966 18.881) 26.039 3.133 ( 24.081 13.903 5.429) 28.331 3.151 ( -3.691 -2.131 -3.517) 5.526 3.352 ( 23.146 13.363 3.355) 26.937 3.503 ( 0.256 0.148 -0.244) 0.383 3.535 ( 10.236 5.910 -7.553) 14.027 3.616 ( 5.768 3.330 -6.821) 9.533 3.866 ( 2.601 1.502 4.348) 5.284 3.918 ( 3.657 2.112 -1.694) 4.550 3.976 ( 5.505 3.178 -0.452) 6.373 4.058 ( -5.282 -3.050 -1.203) 6.217 4.200 ( -0.252 -0.146 0.049) 0.296 5.175 ( 0.927 0.535 1.684) 1.995 5.924 ( -6.416 -3.704 -3.195) 8.068 5.971 ( -2.071 -1.195 2.537) 3.486 6.023 ( -7.687 -4.438 -1.035) 8.936 6.144 ( -4.374 -2.525 -3.006) 5.878 6.587 ( -5.723 -3.304 -2.049) 6.919 8.317 ( 2.981 1.721 -0.816) 3.538 8.417 ( 4.522 2.611 -1.053) 5.327 8.684 ( -5.392 -3.113 1.963) 6.528 8.815 ( -7.747 -4.473 1.562) 9.081 12.278 ( -1.854 -1.070 -1.395) 2.555 12.884 ( -2.482 -1.433 2.853) 4.044 12.897 ( -1.093 -0.631 -1.595) 2.034 13.271 ( 5.397 3.116 6.478) 8.989 13.682 ( -0.460 -0.266 3.289) 3.331 14.134 ( -3.419 -1.974 -8.455) 9.331 15.720 ( -1.029 -0.594 3.012) 3.238 15.789 ( 0.922 0.532 -0.596) 1.220 21.230 ( 1.932 1.116 -1.904) 2.933 21.393 ( 1.127 0.651 0.755) 1.504 22.069 ( 1.908 1.101 -1.663) 2.760 22.489 ( -0.240 -0.139 1.690) 1.712 22.849 ( 6.633 3.830 6.496) 10.043 22.850 ( 3.299 1.905 -1.111) 3.968 24.103 ( 19.714 11.382 -15.253) 27.401 24.272 ( 1.802 1.040 0.132) 2.085 25.037 ( -12.037 -6.949 -0.273) 13.902 25.384 ( -0.408 -0.236 1.585) 1.654 25.718 ( -21.779 -12.574 19.554) 31.856 25.928 ( -0.824 -0.476 0.697) 1.179 26.299 ( -2.864 -1.654 -2.282) 4.018 27.011 ( 3.470 2.004 -2.674) 4.817 27.265 ( -1.764 -1.019 1.297) 2.415 28.052 ( -1.210 -0.699 -1.052) 1.749 28.310 ( -0.408 -0.235 -1.083) 1.181 28.972 ( -11.467 -6.621 -1.575) 13.334 34.319 ( 1.495 0.863 4.673) 4.982 35.544 ( -2.339 -1.351 -5.940) 6.525 36.021 ( 25.268 14.588 -1.967) 29.243 36.839 ( 5.543 3.200 12.533) 14.072 38.003 ( 1.596 0.921 7.147) 7.381 38.101 ( -2.791 -1.611 -5.673) 6.524 38.721 ( 4.811 2.778 -3.183) 6.403 38.846 ( -5.413 -3.125 -6.870) 9.288 39.855 ( -12.933 -7.467 -6.099) 16.131 40.321 ( -14.505 -8.374 4.847) 17.436 44.543 ( 1.551 0.895 -0.032) 1.791 45.163 ( 3.936 2.273 -0.333) 4.558 ======================= Grid point 142 (42/146) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 10.868 6.274 13.650) 18.542 2.975 ( -9.739 -5.623 -5.091) 12.345 3.494 ( -0.183 -0.106 -2.561) 2.570 3.591 ( 16.214 9.361 2.830) 18.935 3.634 ( 2.747 1.586 -2.241) 3.884 3.688 ( 4.799 2.770 -2.848) 6.230 3.837 ( 12.326 7.116 -0.325) 14.236 3.879 ( -7.098 -4.098 -1.212) 8.286 3.918 ( -2.425 -1.400 1.451) 3.154 3.968 ( 1.599 0.923 -0.879) 2.045 4.071 ( 2.702 1.560 -1.022) 3.284 4.181 ( -2.277 -1.315 1.698) 3.131 5.184 ( -0.163 -0.094 -1.785) 1.795 5.806 ( -2.799 -1.616 -3.829) 5.011 5.862 ( -4.473 -2.582 -1.755) 5.455 5.952 ( -0.525 -0.303 3.743) 3.792 6.090 ( -0.913 -0.527 0.962) 1.427 6.504 ( -1.465 -0.846 1.461) 2.235 8.373 ( 2.085 1.204 -0.092) 2.410 8.514 ( 4.849 2.800 -1.446) 5.783 8.591 ( -3.220 -1.859 0.571) 3.761 8.663 ( -6.480 -3.741 1.378) 7.608 12.248 ( -0.373 -0.215 -1.684) 1.738 12.849 ( -1.452 -0.838 2.286) 2.835 12.877 ( -0.207 -0.119 -1.258) 1.281 13.364 ( 1.087 0.627 2.468) 2.769 13.678 ( -0.570 -0.329 0.714) 0.971 14.069 ( -0.023 -0.013 -4.505) 4.505 15.710 ( -0.844 -0.487 3.525) 3.657 15.806 ( 0.560 0.323 0.446) 0.786 21.251 ( 0.819 0.473 -3.348) 3.479 21.412 ( 0.355 0.205 0.815) 0.913 22.090 ( 0.698 0.403 -2.570) 2.694 22.488 ( -0.340 -0.196 1.354) 1.410 22.899 ( 1.386 0.800 -1.764) 2.382 22.942 ( 1.084 0.626 -4.410) 4.584 24.311 ( 1.115 0.644 3.209) 3.457 24.504 ( 20.341 11.744 -21.293) 31.702 24.796 ( -9.010 -5.202 5.791) 11.907 25.366 ( -16.823 -9.713 30.841) 36.449 25.379 ( -0.519 -0.300 1.310) 1.441 25.929 ( 0.130 0.075 0.294) 0.330 26.252 ( -0.623 -0.360 -1.818) 1.955 27.074 ( 2.528 1.459 -1.117) 3.125 27.233 ( -1.167 -0.674 -0.437) 1.416 28.021 ( -1.092 -0.630 -3.700) 3.909 28.303 ( 0.444 0.256 -0.367) 0.631 28.790 ( -4.295 -2.480 -2.519) 5.563 34.326 ( -1.186 -0.685 -3.213) 3.492 35.531 ( 1.462 0.844 4.751) 5.042 36.446 ( 13.462 7.772 -4.480) 16.177 36.918 ( -2.953 -1.705 11.746) 12.231 38.002 ( -2.543 -1.468 -6.462) 7.098 38.078 ( 1.486 0.858 5.142) 5.421 38.662 ( -1.920 -1.109 -11.221) 11.438 38.854 ( 1.458 0.842 5.673) 5.917 39.628 ( -4.677 -2.700 -8.731) 10.266 40.129 ( -4.678 -2.701 6.365) 8.348 44.566 ( 0.564 0.326 -0.045) 0.653 45.222 ( 1.487 0.858 -0.126) 1.721 ======================= Grid point 143 (43/146) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -14.840 -8.568 -6.089) 18.185 3.136 ( 6.735 3.888 9.327) 12.143 3.479 ( -0.264 -0.153 -3.586) 3.599 3.539 ( -17.660 -10.196 -2.131) 20.504 3.646 ( -2.108 -1.217 -0.931) 2.606 3.738 ( -0.908 -0.524 1.969) 2.231 3.839 ( -9.931 -5.734 -0.583) 11.483 3.875 ( -3.177 -1.834 -1.727) 4.055 3.915 ( 9.489 5.478 1.277) 11.031 3.971 ( -2.276 -1.314 -0.608) 2.697 4.107 ( -3.187 -1.840 2.373) 4.378 4.152 ( 3.080 1.778 -1.101) 3.723 5.160 ( -1.146 -0.662 -3.599) 3.834 5.789 ( 2.434 1.405 -4.290) 5.128 5.864 ( 5.009 2.892 -1.527) 5.982 5.977 ( 1.450 0.837 4.881) 5.160 6.108 ( 2.214 1.278 2.324) 3.455 6.536 ( 3.272 1.889 4.207) 5.655 8.389 ( -1.199 -0.692 1.418) 1.981 8.535 ( -5.066 -2.925 0.164) 5.852 8.569 ( 1.789 1.033 -1.418) 2.505 8.635 ( 6.174 3.565 -0.918) 7.188 12.251 ( 1.059 0.611 -1.543) 1.969 12.838 ( -0.079 -0.046 1.447) 1.450 12.880 ( 0.865 0.500 -0.979) 1.399 13.325 ( -4.498 -2.597 -1.060) 5.301 13.661 ( -0.986 -0.569 -0.824) 1.405 14.111 ( 4.328 2.499 -0.685) 5.044 15.708 ( -0.448 -0.259 3.341) 3.381 15.815 ( 0.037 0.021 1.301) 1.302 21.243 ( -0.461 -0.266 -4.048) 4.082 21.413 ( -0.505 -0.292 0.851) 1.032 22.086 ( -0.181 -0.104 -3.035) 3.042 22.484 ( -0.389 -0.225 0.996) 1.092 22.865 ( -5.383 -3.108 -10.581) 12.272 22.894 ( -1.184 -0.684 -2.135) 2.535 24.337 ( -0.148 -0.085 5.507) 5.510 24.454 ( -11.554 -6.670 -17.100) 21.689 25.031 ( 21.111 12.188 2.319) 24.486 25.249 ( -3.953 -2.282 35.326) 35.620 25.372 ( -0.397 -0.229 0.657) 0.801 25.925 ( -0.435 -0.251 0.087) 0.510 26.262 ( 1.920 1.109 -0.907) 2.396 27.099 ( -0.411 -0.237 1.455) 1.530 27.215 ( -0.040 -0.023 -2.051) 2.051 27.977 ( -1.133 -0.654 -7.276) 7.392 28.342 ( 2.574 1.486 2.660) 3.989 28.774 ( 4.042 2.334 -4.033) 6.169 34.255 ( -3.102 -1.791 -8.625) 9.340 35.630 ( 4.454 2.571 12.739) 13.738 36.511 ( -8.624 -4.979 -0.692) 9.982 36.800 ( -7.911 -4.567 2.893) 9.582 37.917 ( -2.668 -1.540 -8.549) 9.087 38.135 ( 2.045 1.181 4.672) 5.235 38.673 ( 3.734 2.156 -8.594) 9.615 38.881 ( 1.517 0.876 6.742) 6.965 39.613 ( 5.778 3.336 -9.537) 11.639 40.157 ( 4.765 2.751 8.220) 9.891 44.566 ( -0.550 -0.317 -0.045) 0.637 45.225 ( -1.284 -0.741 0.066) 1.484 ======================= Grid point 144 (44/146) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -19.668 -11.355 -5.338) 23.329 3.050 ( -25.941 -14.977 -2.454) 30.055 3.229 ( -8.800 -5.080 3.435) 10.726 3.360 ( -13.930 -8.043 3.484) 16.458 3.461 ( -0.491 -0.284 -3.389) 3.436 3.675 ( -6.005 -3.467 6.221) 9.316 3.694 ( -3.668 -2.118 -0.092) 4.237 3.763 ( -5.589 -3.227 -5.726) 8.628 3.904 ( -3.334 -1.925 -1.154) 4.019 4.006 ( -5.734 -3.310 0.952) 6.689 4.079 ( 5.307 3.064 0.775) 6.177 4.194 ( 0.972 0.561 -0.530) 1.241 5.114 ( -1.827 -1.055 -3.176) 3.813 5.867 ( 5.462 3.153 -3.987) 7.461 6.007 ( 6.636 3.831 -2.161) 7.961 6.044 ( 3.134 1.809 4.755) 5.975 6.218 ( 7.540 4.353 3.048) 9.224 6.658 ( 6.209 3.585 4.157) 8.287 8.341 ( -3.163 -1.826 1.266) 3.865 8.426 ( -4.860 -2.806 -0.352) 5.623 8.647 ( 5.187 2.995 -1.278) 6.124 8.790 ( 8.108 4.681 -0.575) 9.380 12.283 ( 2.292 1.323 -1.186) 2.901 12.855 ( 1.215 0.701 0.615) 1.531 12.906 ( 1.641 0.948 -0.978) 2.133 13.189 ( -7.092 -4.095 -1.184) 8.274 13.629 ( -1.543 -0.891 -1.385) 2.257 14.227 ( 5.841 3.372 0.121) 6.745 15.713 ( 0.039 0.022 2.528) 2.529 15.816 ( -0.480 -0.277 1.725) 1.812 21.207 ( -1.530 -0.883 -3.785) 4.177 21.395 ( -1.379 -0.796 0.831) 1.796 22.059 ( -1.434 -0.828 -2.873) 3.316 22.477 ( -0.530 -0.306 0.564) 0.833 22.668 ( -8.831 -5.098 -9.303) 13.803 22.840 ( -2.825 -1.631 -1.858) 3.754 24.110 ( -14.352 -8.286 -12.026) 20.476 24.340 ( -1.377 -0.795 6.110) 6.313 25.350 ( 2.513 1.451 25.331) 25.497 25.367 ( -0.146 -0.084 -0.024) 0.170 25.532 ( 22.870 13.204 1.122) 26.431 25.939 ( 2.429 1.402 3.208) 4.261 26.323 ( 3.619 2.089 -0.105) 4.180 27.066 ( -3.105 -1.793 2.836) 4.571 27.218 ( 1.090 0.629 -2.807) 3.077 27.936 ( 0.456 0.263 -10.159) 10.173 28.403 ( 1.054 0.608 5.825) 5.951 28.944 ( 12.530 7.234 -4.375) 15.116 34.149 ( -3.439 -1.985 -9.504) 10.300 35.791 ( 5.568 3.214 15.384) 16.674 36.101 ( -26.723 -15.429 5.236) 31.298 36.633 ( -7.571 -4.371 -6.305) 10.778 37.832 ( -2.378 -1.373 -9.014) 9.423 38.196 ( 2.229 1.287 3.388) 4.255 38.639 ( -3.492 -2.016 -6.481) 7.633 39.058 ( 9.974 5.759 8.978) 14.603 39.790 ( 13.073 7.548 -11.303) 18.858 40.377 ( 12.410 7.165 8.564) 16.694 44.543 ( -1.523 -0.879 -0.008) 1.758 45.168 ( -3.826 -2.209 0.120) 4.419 ======================= Grid point 145 (45/146) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -23.776 -13.727 -1.685) 27.506 2.407 ( -31.939 -18.440 -2.122) 36.941 2.620 ( -34.845 -20.118 2.677) 40.324 3.362 ( 1.034 0.597 2.904) 3.140 3.438 ( -0.802 -0.463 -3.018) 3.157 3.517 ( -9.588 -5.536 2.329) 11.314 3.563 ( -7.812 -4.510 -0.642) 9.043 3.622 ( -5.630 -3.251 -2.046) 6.816 3.812 ( -5.428 -3.134 0.698) 6.306 3.917 ( -1.545 -0.892 -0.652) 1.899 4.164 ( 2.616 1.510 0.408) 3.048 4.207 ( 0.519 0.300 -0.447) 0.748 5.065 ( -1.852 -1.069 -1.451) 2.584 5.973 ( 4.723 2.727 -2.518) 6.006 6.105 ( 3.375 1.948 -2.029) 4.394 6.143 ( 4.664 2.693 2.991) 6.161 6.436 ( 10.407 6.009 1.809) 12.153 6.818 ( 7.093 4.095 2.080) 8.450 8.271 ( -3.323 -1.919 0.765) 3.913 8.321 ( -4.555 -2.630 -0.651) 5.299 8.769 ( 5.915 3.415 -0.375) 6.840 8.972 ( 8.262 4.770 -0.118) 9.540 12.339 ( 3.070 1.772 -0.855) 3.646 12.893 ( 2.157 1.246 0.264) 2.505 12.937 ( 1.157 0.668 -2.134) 2.518 13.032 ( -6.487 -3.745 1.572) 7.653 13.586 ( -2.073 -1.197 -0.555) 2.457 14.350 ( 5.346 3.087 -0.840) 6.230 15.725 ( 0.462 0.267 1.278) 1.385 15.807 ( -0.839 -0.484 1.584) 1.856 21.155 ( -2.105 -1.215 -2.603) 3.561 21.360 ( -2.017 -1.165 0.710) 2.435 22.000 ( -3.331 -1.923 -1.169) 4.020 22.443 ( -9.111 -5.260 -5.727) 11.978 22.464 ( -0.779 -0.450 0.206) 0.923 22.771 ( -2.812 -1.624 -1.196) 3.460 23.779 ( -12.122 -6.999 -9.621) 16.985 24.320 ( -2.035 -1.175 5.037) 5.558 25.366 ( 0.103 0.060 -0.458) 0.473 25.433 ( -0.730 -0.422 10.274) 10.309 26.021 ( 19.554 11.290 -0.771) 22.593 26.104 ( 11.706 6.759 11.814) 17.952 26.409 ( 3.936 2.272 0.246) 4.551 26.996 ( -3.541 -2.044 2.245) 4.664 27.241 ( 1.721 0.994 -2.457) 3.160 27.935 ( 2.978 1.719 -13.630) 14.057 28.423 ( -1.290 -0.745 9.981) 10.092 29.257 ( 16.311 9.417 -2.858) 19.050 34.052 ( -2.721 -1.571 -7.375) 8.016 35.462 ( -32.347 -18.675 5.611) 37.770 35.959 ( 5.044 2.912 13.492) 14.695 36.433 ( -8.091 -4.671 -7.033) 11.694 37.756 ( -1.876 -1.083 -8.017) 8.305 38.253 ( 2.120 1.224 2.167) 3.270 38.530 ( -4.507 -2.602 -3.901) 6.504 39.282 ( 7.474 4.315 5.914) 10.462 40.078 ( 15.675 9.050 -8.947) 20.190 40.734 ( 17.351 10.018 6.688) 21.122 44.502 ( -2.145 -1.239 0.037) 2.477 45.065 ( -5.464 -3.155 0.026) 6.310 ======================= Grid point 146 (46/146) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -26.388 -15.235 7.709) 31.430 1.659 ( -35.937 -20.748 -0.194) 41.497 1.819 ( -39.230 -22.650 5.722) 45.659 3.290 ( -7.321 -4.227 -8.087) 11.698 3.300 ( -9.094 -5.250 -6.270) 12.230 3.423 ( -0.054 -0.031 3.219) 3.220 3.447 ( -1.994 -1.151 1.346) 2.667 3.509 ( -5.065 -2.925 5.485) 8.018 3.695 ( -5.089 -2.938 1.490) 6.062 3.909 ( 0.438 0.253 -1.702) 1.776 4.205 ( 1.195 0.690 0.000) 1.380 4.215 ( 0.437 0.252 -0.511) 0.718 5.028 ( -1.356 -0.783 1.258) 2.008 6.048 ( 2.770 1.599 -1.013) 3.355 6.156 ( 2.055 1.186 -1.532) 2.824 6.256 ( 4.702 2.714 1.096) 5.538 6.641 ( 7.780 4.492 -2.587) 9.349 6.970 ( 6.275 3.623 0.339) 7.253 8.206 ( -2.711 -1.565 0.436) 3.161 8.228 ( -3.647 -2.106 -0.593) 4.253 8.890 ( 4.939 2.851 0.516) 5.726 9.133 ( 6.329 3.654 -0.984) 7.375 12.405 ( 3.009 1.737 -0.613) 3.528 12.872 ( -5.049 -2.915 0.316) 5.839 12.948 ( 2.585 1.492 0.801) 3.090 12.994 ( 0.873 0.504 1.272) 1.623 13.544 ( -1.886 -1.089 4.204) 4.735 14.447 ( 3.912 2.259 -2.538) 5.182 15.740 ( 0.680 0.393 -0.088) 0.790 15.791 ( -0.934 -0.539 0.892) 1.400 21.103 ( -2.015 -1.163 -0.801) 2.460 21.316 ( -2.032 -1.173 0.469) 2.393 21.908 ( -5.229 -3.019 1.264) 6.169 22.247 ( -6.932 -4.002 -2.426) 8.364 22.446 ( -0.849 -0.490 0.255) 1.013 22.717 ( -1.802 -1.041 -0.712) 2.200 23.538 ( -7.130 -4.117 -6.306) 10.371 24.289 ( -2.014 -1.162 2.883) 3.704 25.368 ( 0.272 0.157 -0.597) 0.674 25.415 ( -2.294 -1.324 3.432) 4.335 26.324 ( 10.990 6.345 3.060) 13.054 26.468 ( 11.818 6.823 6.055) 14.929 26.488 ( 3.095 1.787 0.276) 3.584 26.983 ( 3.976 2.296 2.045) 5.027 27.273 ( 1.698 0.981 -1.359) 2.386 27.948 ( 2.536 1.464 -23.448) 23.630 28.444 ( -0.401 -0.232 22.587) 22.592 29.595 ( 14.424 8.328 -1.327) 16.708 33.986 ( -1.510 -0.872 -3.730) 4.118 34.776 ( -30.973 -17.882 5.460) 36.179 36.088 ( 3.188 1.840 7.885) 8.702 36.257 ( -5.753 -3.321 -5.246) 8.464 37.701 ( -0.974 -0.562 -4.884) 5.012 38.300 ( 1.614 0.932 0.996) 2.113 38.427 ( -3.832 -2.212 -2.305) 4.989 39.402 ( 3.082 1.779 -9.214) 9.878 40.389 ( 13.844 7.993 3.036) 16.272 41.141 ( 17.151 9.902 4.840) 20.387 44.454 ( -2.234 -1.290 0.055) 2.580 44.942 ( -5.432 -3.136 -0.117) 6.273 ======================= Grid point 149 (47/146) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 35.745 17.895) 39.974 1.044 ( 0.000 31.480 25.323) 40.401 1.305 ( 0.000 24.323 46.967) 52.892 2.927 ( -0.000 7.530 -19.711) 21.100 2.934 ( -0.000 7.807 -19.091) 20.626 3.416 ( -0.000 -0.430 -2.539) 2.575 3.523 ( 0.000 -1.018 7.384) 7.454 3.566 ( 0.000 2.765 12.176) 12.486 3.643 ( 0.000 4.217 4.589) 6.232 3.866 ( -0.000 -0.669 -6.122) 6.159 4.210 ( -0.000 -0.321 -1.517) 1.550 4.212 ( -0.000 -0.388 -1.334) 1.390 5.141 ( 0.000 -6.309 11.301) 12.943 6.085 ( 0.000 -1.681 -0.553) 1.769 6.165 ( -0.000 -0.169 -2.294) 2.300 6.343 ( 0.000 -2.958 -0.039) 2.958 6.531 ( -0.000 6.847 -14.909) 16.407 7.060 ( -0.000 -5.050 -8.253) 9.676 8.161 ( -0.000 2.127 -0.261) 2.143 8.162 ( -0.000 1.838 0.063) 1.839 8.999 ( 0.000 -3.240 2.717) 4.229 9.128 ( -0.000 3.624 -5.136) 6.286 12.483 ( 0.000 -3.982 3.828) 5.524 12.848 ( 0.000 2.697 8.347) 8.772 13.010 ( 0.000 -1.286 0.173) 1.298 13.019 ( 0.000 -0.339 0.441) 0.556 13.914 ( 0.000 -21.940 25.222) 33.429 14.422 ( -0.000 -2.262 -10.795) 11.030 15.738 ( -0.000 -0.267 -1.769) 1.789 15.765 ( -0.000 1.289 -1.444) 1.936 21.085 ( 0.000 0.705 2.468) 2.567 21.284 ( -0.000 1.624 0.508) 1.702 21.594 ( -0.000 22.016 -8.912) 23.751 22.353 ( 0.000 -7.122 11.791) 13.775 22.449 ( 0.000 0.414 2.313) 2.350 22.676 ( -0.000 0.863 -1.480) 1.713 23.626 ( 0.000 -23.970 13.644) 27.581 24.249 ( -0.000 2.671 -1.599) 3.113 25.368 ( -0.000 -0.358 -0.383) 0.524 25.387 ( -0.000 2.150 0.677) 2.254 26.525 ( 0.000 -4.150 -1.266) 4.338 26.541 ( 0.000 -1.978 -0.101) 1.980 26.551 ( -0.000 -0.210 -2.567) 2.575 27.167 ( -0.000 0.694 -4.703) 4.754 27.309 ( 0.000 -1.699 1.243) 2.106 27.434 ( -0.000 18.621 -15.714) 24.366 29.235 ( 0.000 -41.798 38.347) 56.724 29.841 ( 0.000 -10.188 -0.718) 10.213 33.992 ( 0.000 -1.271 5.103) 5.259 34.283 ( -0.000 24.400 8.734) 25.916 36.095 ( -0.000 2.368 -8.591) 8.911 36.110 ( -0.000 4.455 -7.445) 8.676 37.715 ( 0.000 -2.161 5.395) 5.812 38.319 ( -0.000 -0.455 -1.492) 1.560 38.331 ( -0.000 2.245 -2.801) 3.590 38.601 ( -0.000 43.236 -44.145) 61.791 41.089 ( 0.000 -31.718 16.189) 35.610 41.589 ( 0.000 -19.268 11.922) 22.658 44.413 ( -0.000 1.712 0.219) 1.726 44.840 ( -0.000 3.815 -0.254) 3.823 ======================= Grid point 150 (48/146) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 13.810 24.528 24.670) 37.429 1.597 ( 21.025 29.478 16.512) 39.796 1.828 ( 14.669 30.699 28.998) 44.705 2.996 ( 5.696 10.542 -18.288) 21.864 3.020 ( 6.668 10.660 -16.792) 20.978 3.399 ( -0.443 -0.357 -2.907) 2.963 3.525 ( -0.400 -0.965 3.060) 3.233 3.655 ( 2.335 3.403 10.615) 11.389 3.730 ( 2.488 4.871 5.975) 8.100 3.836 ( -0.043 -0.390 -6.969) 6.980 4.195 ( -0.710 -0.452 -1.703) 1.900 4.204 ( 0.108 -0.615 -1.340) 1.478 5.126 ( -0.422 -1.995 8.250) 8.498 6.062 ( -0.283 -2.468 -0.382) 2.514 6.152 ( 0.278 -2.794 -1.540) 3.202 6.280 ( -3.405 -3.620 0.040) 4.970 6.502 ( -2.177 -1.067 -12.326) 12.562 6.951 ( -3.854 -5.037 -7.288) 9.661 8.185 ( 0.873 2.614 -0.368) 2.780 8.207 ( 2.266 2.800 -0.221) 3.609 8.949 ( -2.612 -4.589 2.855) 6.003 9.120 ( -1.178 -2.269 -2.299) 3.438 12.432 ( -2.133 -4.437 2.167) 5.379 12.918 ( 1.939 1.735 5.485) 6.071 12.991 ( -0.702 -1.910 1.305) 2.418 13.021 ( -0.199 1.190 3.550) 3.749 13.782 ( -4.659 -8.269 17.233) 19.674 14.345 ( -1.491 -3.087 -11.999) 12.479 15.738 ( 0.445 0.256 -0.806) 0.955 15.770 ( -0.514 1.536 -1.210) 2.022 21.111 ( 1.530 0.677 1.508) 2.253 21.320 ( 1.315 2.826 0.781) 3.214 21.821 ( 6.090 13.012 -2.618) 14.603 22.366 ( 3.442 -1.262 11.062) 11.654 22.483 ( 1.942 1.727 2.413) 3.546 22.688 ( 1.116 1.062 -1.410) 2.088 23.506 ( 3.122 -8.945 -1.119) 9.540 24.256 ( -1.723 5.047 -1.778) 5.621 25.361 ( -0.527 0.185 -0.207) 0.596 25.410 ( -0.819 2.965 0.724) 3.160 26.327 ( -11.793 -7.718 -0.515) 14.103 26.476 ( -4.405 -2.494 -3.016) 5.892 26.549 ( -1.602 -0.413 -0.110) 1.658 27.058 ( -6.232 -7.470 5.473) 11.162 27.309 ( 0.970 -2.836 2.807) 4.106 27.722 ( 17.414 7.829 -16.270) 25.085 28.825 ( -20.414 -18.677 25.449) 37.593 29.660 ( -6.903 -14.200 -1.632) 15.873 34.116 ( 10.160 0.183 6.317) 11.965 34.608 ( 7.108 28.007 7.458) 29.842 35.917 ( -10.334 4.634 -12.580) 16.927 36.314 ( 11.036 2.843 2.614) 11.692 37.791 ( 7.310 -3.467 6.409) 10.321 38.276 ( -2.587 -0.068 -3.435) 4.300 38.394 ( 4.628 2.251 -1.344) 5.319 38.855 ( 6.183 20.423 -33.694) 39.882 40.732 ( -12.078 -26.536 11.097) 31.196 41.324 ( -13.490 -17.397 8.113) 23.462 44.442 ( 1.145 2.080 0.119) 2.377 44.907 ( 2.913 5.026 -0.373) 5.821 ======================= Grid point 151 (49/146) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 15.105 16.354 26.336) 34.485 2.292 ( 25.062 25.352 10.269) 37.099 2.495 ( 21.536 28.926 15.581) 39.284 3.171 ( 8.763 9.924 -13.297) 18.764 3.200 ( 7.330 9.737 -11.528) 16.776 3.393 ( 2.054 2.204 -5.004) 5.841 3.518 ( 0.023 -0.747 0.010) 0.748 3.765 ( 3.068 3.244 7.745) 8.940 3.819 ( 1.726 0.954 -6.601) 6.889 3.841 ( 2.626 4.027 4.488) 6.577 4.165 ( -1.728 -0.695 -1.670) 2.502 4.196 ( 0.300 -0.716 -1.109) 1.354 5.141 ( 0.748 -0.750 5.296) 5.401 6.026 ( -1.002 -2.725 -0.000) 2.903 6.094 ( -2.215 -6.226 -1.699) 6.823 6.183 ( -4.281 -2.382 0.484) 4.923 6.368 ( -6.133 -4.201 -9.148) 11.788 6.801 ( -5.959 -4.745 -5.254) 9.254 8.233 ( 1.827 3.002 -0.619) 3.568 8.282 ( 3.428 3.035 -0.566) 4.613 8.853 ( -4.283 -5.358 2.711) 7.376 9.031 ( -4.557 -5.413 0.261) 7.080 12.356 ( -2.541 -3.912 0.118) 4.666 12.933 ( -0.559 -1.009 -1.386) 1.803 12.958 ( -1.541 -2.425 2.582) 3.863 13.104 ( 3.596 4.482 9.463) 11.071 13.722 ( -2.306 -3.001 9.782) 10.489 14.240 ( -2.476 -3.328 -11.992) 12.689 15.748 ( -0.001 0.580 1.440) 1.552 15.772 ( -0.390 1.610 -1.284) 2.096 21.154 ( 2.382 0.785 -0.087) 2.510 21.378 ( 0.878 4.652 0.797) 4.801 21.971 ( 3.475 3.706 0.035) 5.080 22.471 ( 2.945 -0.037 7.580) 8.132 22.594 ( 6.754 5.617 6.046) 10.664 22.728 ( 3.137 0.908 -0.894) 3.386 23.551 ( 11.090 -1.098 -12.543) 16.779 24.288 ( -1.157 7.835 -1.343) 8.033 25.336 ( -3.787 -0.109 0.267) 3.798 25.416 ( -1.884 2.427 1.214) 3.304 26.065 ( -8.872 -9.060 0.641) 12.697 26.279 ( -12.658 -10.692 5.252) 17.382 26.508 ( -4.430 2.425 -0.199) 5.054 26.924 ( -3.056 -5.990 1.657) 6.926 27.310 ( 0.758 -1.775 3.297) 3.821 27.946 ( 10.702 0.246 -11.117) 15.433 28.488 ( -13.860 -5.700 13.467) 20.148 29.362 ( -10.439 -15.793 -2.483) 19.093 34.296 ( 4.194 6.246 8.552) 11.390 35.073 ( 19.960 16.036 -0.561) 25.610 35.791 ( -8.042 10.382 -7.832) 15.291 36.536 ( 11.035 1.731 8.627) 14.114 37.896 ( 6.108 -2.351 6.425) 9.171 38.216 ( -3.301 0.736 -4.994) 6.031 38.510 ( 6.795 2.579 0.249) 7.272 38.947 ( 0.252 8.492 -22.216) 23.786 40.313 ( -13.398 -21.680 1.695) 25.543 40.914 ( -18.610 -16.722 6.478) 25.845 44.485 ( 1.643 1.964 0.021) 2.561 45.015 ( 4.292 4.964 -0.442) 6.577 ======================= Grid point 152 (50/146) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 13.629 12.155 21.968) 28.567 2.931 ( 22.475 20.325 6.894) 31.077 3.124 ( 15.876 17.676 6.318) 24.584 3.227 ( 2.257 4.168 -1.767) 5.058 3.415 ( 9.976 10.815 -9.718) 17.633 3.489 ( 2.122 1.223 -1.960) 3.137 3.535 ( 5.122 4.239 -7.722) 10.190 3.852 ( 4.110 2.703 -1.320) 5.093 3.878 ( 2.794 4.026 0.868) 4.977 3.932 ( 3.170 2.418 2.484) 4.697 4.108 ( -3.711 -1.228 -1.334) 4.131 4.194 ( 0.488 -0.557 -0.628) 0.971 5.163 ( 1.108 -0.859 2.040) 2.476 5.956 ( -5.074 -6.719 -2.652) 8.827 5.980 ( -1.268 -4.122 1.192) 4.474 6.091 ( -5.226 -3.203 -0.577) 6.157 6.197 ( -6.008 -2.620 -4.098) 7.730 6.646 ( -6.034 -3.487 -2.509) 7.407 8.293 ( 2.212 2.966 -0.686) 3.763 8.368 ( 3.992 2.684 -0.983) 4.910 8.735 ( -4.708 -5.235 2.175) 7.369 8.885 ( -6.352 -6.383 1.417) 9.116 12.285 ( -1.764 -2.845 -1.304) 3.593 12.900 ( -1.166 -1.399 -1.546) 2.389 12.917 ( -1.984 -1.606 2.684) 3.704 13.247 ( 4.622 3.956 8.081) 10.115 13.701 ( -1.052 -1.440 4.765) 5.088 14.129 ( -2.596 -2.817 -10.415) 11.097 15.750 ( -1.307 0.456 3.214) 3.499 15.786 ( 0.524 1.648 -0.653) 1.848 21.198 ( 2.303 0.792 -1.822) 3.042 21.435 ( -0.700 6.390 0.583) 6.455 22.031 ( 2.502 0.247 -1.679) 3.023 22.511 ( -0.545 1.701 3.698) 4.106 22.776 ( 6.979 0.772 6.976) 9.898 22.800 ( 4.590 1.566 -1.640) 5.119 23.764 ( 19.410 2.777 -15.842) 25.208 24.354 ( -1.248 10.720 -1.086) 10.847 25.194 ( -12.133 -3.251 3.520) 13.045 25.414 ( -1.373 1.945 1.699) 2.925 25.881 ( -7.579 -14.419 6.121) 17.402 25.966 ( -10.467 -7.288 10.641) 16.611 26.453 ( -7.732 7.584 -0.318) 10.835 26.853 ( 3.601 -9.906 -3.462) 11.094 27.329 ( 0.026 2.397 2.281) 3.309 28.014 ( 3.268 -2.242 -6.186) 7.347 28.342 ( -5.029 -1.268 4.675) 6.983 29.038 ( -9.489 -14.488 -3.050) 17.585 34.416 ( -2.347 10.481 5.501) 12.068 35.411 ( 13.297 -3.255 -9.405) 16.609 35.903 ( 6.107 20.971 3.930) 22.193 36.750 ( 10.189 -1.601 11.207) 15.231 37.990 ( 4.443 -0.028 5.080) 6.748 38.152 ( -4.108 2.713 -6.006) 7.766 38.654 ( 6.534 3.235 -0.478) 7.307 38.892 ( -5.251 1.888 -11.067) 12.394 39.913 ( -11.063 -17.821 -6.421) 21.936 40.493 ( -16.501 -13.472 6.400) 22.243 44.528 ( 1.516 1.516 -0.011) 2.144 45.125 ( 3.929 3.857 -0.396) 5.520 ======================= Grid point 153 (51/146) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( 10.509 8.593 16.514) 21.378 3.067 ( -8.240 -3.632 -3.038) 9.504 3.441 ( 16.981 14.750 3.920) 22.832 3.476 ( 0.664 -1.053 -3.704) 3.908 3.589 ( 5.426 5.011 -2.812) 7.903 3.633 ( 6.136 7.656 -4.363) 10.738 3.708 ( 14.233 13.521 0.043) 19.631 3.923 ( -0.421 2.252 1.774) 2.898 3.944 ( 1.510 1.442 -1.608) 2.635 4.003 ( -6.719 -1.440 -0.498) 6.890 4.025 ( 4.636 2.239 -0.699) 5.195 4.195 ( -0.021 -0.517 0.584) 0.780 5.168 ( 0.547 -1.353 -1.493) 2.088 5.812 ( -3.590 -5.432 -2.816) 7.094 5.878 ( -4.140 -7.642 -1.331) 8.793 5.992 ( -2.786 0.466 1.365) 3.137 6.120 ( -2.417 -0.056 0.833) 2.557 6.540 ( -3.390 -1.201 0.889) 3.705 8.354 ( 2.124 2.461 -0.301) 3.265 8.455 ( 4.429 2.046 -1.304) 5.050 8.625 ( -3.803 -4.092 1.089) 5.691 8.727 ( -6.130 -5.697 1.408) 8.486 12.240 ( -0.435 -1.620 -1.980) 2.595 12.863 ( -1.083 -1.858 0.257) 2.166 12.888 ( -1.317 0.038 0.998) 1.653 13.359 ( 2.354 1.878 4.418) 5.347 13.687 ( -0.693 -0.882 1.569) 1.929 14.049 ( -0.652 -1.198 -6.884) 7.018 15.740 ( -1.453 0.062 3.777) 4.048 15.809 ( 0.331 1.533 0.714) 1.723 21.228 ( 1.443 0.651 -3.248) 3.613 21.475 ( -2.616 7.355 0.354) 7.814 22.055 ( 1.946 -0.906 -3.223) 3.873 22.520 ( -1.863 2.412 2.291) 3.813 22.867 ( 2.628 0.129 -3.820) 4.639 22.875 ( 4.470 -1.242 0.022) 4.639 24.095 ( 22.674 0.706 -13.144) 26.218 24.433 ( -1.450 12.229 -3.496) 12.802 24.955 ( -13.194 -4.332 9.319) 16.724 25.414 ( -1.884 2.248 2.042) 3.574 25.567 ( -12.829 -15.974 23.626) 31.272 25.911 ( 0.680 -2.253 1.630) 2.862 26.405 ( -8.883 11.755 -0.874) 14.760 26.827 ( 9.324 -15.637 -2.849) 18.427 27.362 ( -2.026 6.353 -0.067) 6.669 28.000 ( 0.089 -1.814 -4.398) 4.759 28.292 ( -0.848 -1.627 0.381) 1.874 28.791 ( -4.282 -10.290 -3.429) 11.661 34.444 ( -7.494 11.196 -2.333) 13.673 35.508 ( 6.005 -0.558 1.603) 6.240 36.253 ( 13.480 9.147 0.209) 16.292 36.884 ( 5.683 -7.493 11.935) 15.195 38.071 ( -0.788 5.573 -2.409) 6.122 38.105 ( -1.685 3.955 -0.031) 4.299 38.679 ( -5.414 1.550 -12.184) 13.422 38.848 ( 2.353 0.251 6.194) 6.631 39.601 ( -4.798 -12.617 -10.450) 17.071 40.203 ( -8.244 -8.504 6.850) 13.682 44.560 ( 0.859 0.871 -0.030) 1.224 45.205 ( 2.273 2.248 -0.227) 3.205 ======================= Grid point 154 (52/146) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -13.298 -5.452 -3.077) 14.698 3.102 ( 6.849 5.424 11.166) 14.178 3.458 ( 0.492 -1.156 -4.463) 4.637 3.644 ( 1.026 1.403 -2.543) 3.080 3.714 ( -7.961 -0.950 -1.160) 8.102 3.748 ( 2.601 4.354 0.054) 5.072 3.840 ( 3.267 4.402 0.690) 5.525 3.921 ( -2.146 1.928 -1.386) 3.201 3.923 ( -3.564 0.795 -0.153) 3.654 4.000 ( -0.438 2.322 -0.798) 2.494 4.099 ( 4.400 2.546 0.133) 5.085 4.159 ( -3.665 -2.549 2.284) 5.015 5.148 ( -0.134 -1.339 -3.521) 3.770 5.739 ( 1.012 -2.528 -3.363) 4.328 5.796 ( 2.621 -2.677 -1.443) 4.015 5.992 ( -0.009 1.584 3.270) 3.633 6.108 ( 0.002 0.766 2.119) 2.253 6.528 ( 1.027 1.038 3.719) 3.996 8.401 ( 0.733 1.305 0.995) 1.797 8.543 ( 3.883 0.489 -1.582) 4.221 8.554 ( -0.746 -1.776 -0.763) 2.072 8.600 ( -3.233 -2.903 1.056) 4.472 12.228 ( 0.982 -0.501 -2.068) 2.343 12.838 ( -0.198 -1.484 0.951) 1.774 12.882 ( -0.316 1.027 0.127) 1.082 13.368 ( -2.786 -0.975 0.351) 2.972 13.669 ( -0.914 -0.672 -0.225) 1.156 14.056 ( 3.565 1.143 -2.701) 4.617 15.731 ( -1.115 -0.349 3.946) 4.116 15.827 ( -0.191 1.184 1.481) 1.906 21.234 ( 0.133 0.473 -4.000) 4.030 21.489 ( -4.172 7.110 0.250) 8.247 22.060 ( 1.271 -1.031 -3.919) 4.247 22.512 ( -2.270 1.696 1.445) 3.181 22.844 ( -0.794 -3.247 -7.624) 8.325 22.908 ( -0.194 0.992 -2.990) 3.157 24.295 ( 7.465 -8.339 -9.763) 14.852 24.493 ( -3.375 6.670 -9.385) 11.998 24.879 ( 5.815 3.714 15.051) 16.557 25.379 ( -5.339 -7.040 28.507) 29.845 25.416 ( -2.740 1.445 4.170) 5.194 25.905 ( 0.865 -2.987 -0.001) 3.109 26.383 ( -6.846 12.042 -1.633) 13.947 26.849 ( 11.639 -15.111 0.540) 19.081 27.363 ( -4.649 5.479 -2.280) 7.539 27.961 ( -1.225 -0.583 -5.738) 5.896 28.297 ( 3.281 -0.987 0.622) 3.482 28.692 ( 2.682 -5.013 -4.134) 7.029 34.379 ( -10.105 10.385 -8.016) 16.559 35.640 ( 5.037 4.001 11.928) 13.552 36.432 ( 6.034 -6.121 -4.544) 9.722 36.845 ( -3.292 -12.736 9.838) 16.427 38.014 ( -8.415 6.668 -6.624) 12.616 38.188 ( 0.053 7.691 4.266) 8.795 38.606 ( 1.628 2.178 -9.566) 9.945 38.887 ( 0.131 -1.137 4.232) 4.384 39.487 ( 5.308 -4.411 -9.740) 11.937 40.118 ( 2.053 -3.961 7.570) 8.787 44.571 ( -0.117 0.203 -0.047) 0.239 45.236 ( -0.151 0.604 -0.044) 0.624 ======================= Grid point 155 (53/146) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -18.608 -6.655 -1.559) 19.824 3.252 ( 3.166 2.703 6.129) 7.409 3.354 ( -23.894 -7.471 -1.381) 25.073 3.443 ( 0.232 -0.759 -3.879) 3.959 3.597 ( -13.545 -3.644 0.368) 14.032 3.748 ( -8.644 -2.845 -0.940) 9.149 3.758 ( -3.399 0.684 3.219) 4.731 3.827 ( -6.615 -1.439 -3.677) 7.704 3.943 ( -3.291 -0.500 -0.927) 3.456 4.029 ( 5.397 5.032 0.893) 7.432 4.069 ( -4.803 -2.942 1.060) 5.731 4.175 ( 1.770 0.888 -0.512) 2.045 5.117 ( -0.931 -0.951 -3.055) 3.333 5.778 ( 5.832 0.531 -3.285) 6.714 5.898 ( 8.993 1.866 -1.566) 9.317 6.034 ( 1.706 1.716 3.585) 4.325 6.157 ( 4.228 1.782 2.147) 5.065 6.607 ( 4.806 1.971 3.996) 6.554 8.387 ( -3.062 -0.469 1.407) 3.402 8.474 ( -4.354 -3.160 -0.581) 5.411 8.580 ( 4.579 1.016 -1.161) 4.832 8.689 ( 7.922 2.532 -0.287) 8.322 12.248 ( 2.279 0.386 -1.807) 2.934 12.836 ( 1.049 -0.910 1.039) 1.734 12.897 ( 0.654 1.542 -0.412) 1.725 13.269 ( -6.597 -2.368 -0.510) 7.028 13.643 ( -1.338 -0.651 -0.697) 1.643 14.151 ( 6.167 2.209 -1.410) 6.701 15.725 ( -0.545 -0.596 3.527) 3.618 15.833 ( -0.735 0.636 1.598) 1.871 21.215 ( -1.218 0.354 -3.869) 4.071 21.474 ( -5.088 5.640 0.311) 7.602 22.051 ( 0.188 -0.664 -3.754) 3.817 22.484 ( -2.189 -1.016 0.633) 2.495 22.744 ( -5.653 -0.739 -6.754) 8.839 22.868 ( -3.205 -0.598 -3.257) 4.609 24.146 ( -6.285 -12.089 -12.104) 18.225 24.434 ( -5.862 3.966 2.873) 7.639 25.213 ( 20.065 -0.180 7.825) 21.538 25.403 ( -1.360 -0.426 11.088) 11.179 25.434 ( 2.571 7.041 16.443) 18.070 25.893 ( 2.286 -3.639 1.045) 4.423 26.397 ( -2.955 9.074 -2.234) 9.801 26.919 ( 9.221 -8.735 3.869) 13.278 27.298 ( -5.102 0.670 -3.876) 6.442 27.921 ( -1.187 1.886 -7.788) 8.101 28.368 ( 4.216 -1.117 3.651) 5.688 28.765 ( 11.259 0.497 -5.181) 12.403 34.275 ( -10.457 9.932 -8.727) 16.857 35.810 ( 3.929 5.194 16.353) 17.602 36.268 ( -10.851 -17.638 -2.028) 20.808 36.656 ( -6.200 -11.058 1.324) 12.746 37.902 ( -8.096 4.364 -6.786) 11.430 38.250 ( -2.589 7.338 3.634) 8.588 38.629 ( -0.025 -0.815 -8.513) 8.552 38.964 ( 9.153 2.417 6.456) 11.458 39.600 ( 12.102 3.540 -10.800) 16.602 40.235 ( 11.354 -0.889 8.200) 14.034 44.560 ( -1.155 -0.318 -0.030) 1.198 45.211 ( -2.849 -0.731 0.023) 2.941 ======================= Grid point 156 (54/146) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -23.571 -6.733 2.793) 24.672 2.810 ( -32.172 -8.501 -0.624) 33.282 3.058 ( -32.584 -9.413 2.837) 34.035 3.356 ( 0.485 0.228 0.918) 1.063 3.436 ( -0.070 -0.197 -0.662) 0.694 3.644 ( -6.212 -1.827 -2.240) 6.851 3.647 ( -10.488 -2.439 -4.138) 11.536 3.700 ( -5.525 -0.549 3.081) 6.349 3.874 ( -4.082 -0.727 -0.011) 4.147 3.951 ( -4.925 -2.477 -0.209) 5.517 4.137 ( 3.114 2.524 0.340) 4.023 4.193 ( 0.850 -0.241 -0.658) 1.102 5.082 ( -1.570 -0.494 -0.971) 1.911 5.892 ( 6.899 2.009 -2.452) 7.592 6.040 ( 5.957 1.505 -2.172) 6.517 6.100 ( 3.522 0.995 2.910) 4.676 6.309 ( 10.336 3.021 0.866) 10.803 6.735 ( 7.040 1.803 1.915) 7.515 8.323 ( -4.090 -0.709 0.646) 4.201 8.372 ( -4.610 -2.221 -0.757) 5.173 8.688 ( 6.683 1.728 -0.044) 6.903 8.859 ( 9.473 2.664 0.074) 9.841 12.295 ( 3.287 0.912 -1.463) 3.712 12.861 ( 2.205 -0.378 1.177) 2.527 12.926 ( 1.152 1.595 -1.070) 2.239 13.126 ( -7.730 -2.389 1.362) 8.205 13.610 ( -1.792 -0.559 0.402) 1.920 14.271 ( 6.442 2.037 -2.444) 7.185 15.726 ( 0.059 -0.579 2.525) 2.591 15.826 ( -1.117 0.007 1.117) 1.580 21.178 ( -2.205 0.334 -2.835) 3.607 21.432 ( -5.284 3.325 0.476) 6.261 22.026 ( -1.618 -0.331 -2.324) 2.851 22.418 ( -2.750 -4.829 0.239) 5.562 22.620 ( -8.801 4.022 -2.904) 10.103 22.791 ( -2.773 -2.418 -1.931) 4.155 23.867 ( -10.582 -7.032 -11.159) 16.910 24.389 ( -4.441 0.958 4.658) 6.507 25.368 ( 0.627 0.112 -0.331) 0.718 25.446 ( 3.157 -4.172 12.281) 13.349 25.756 ( 18.338 7.323 3.687) 20.088 25.982 ( 11.220 -0.276 9.477) 14.689 26.439 ( 0.300 5.761 -2.266) 6.198 26.980 ( 1.873 -3.023 4.737) 5.923 27.215 ( -0.518 -2.784 -4.153) 5.026 27.917 ( -0.085 5.617 -9.409) 10.958 28.411 ( 2.171 -4.175 6.389) 7.935 29.024 ( 18.111 4.467 -4.012) 19.081 34.177 ( -9.585 9.825 -6.168) 15.048 35.749 ( -22.270 -21.356 6.873) 31.611 35.998 ( 0.249 5.939 9.196) 10.949 36.461 ( -5.570 -8.684 -3.830) 11.005 37.801 ( -5.755 3.036 -5.615) 8.595 38.278 ( -1.668 4.359 2.040) 5.094 38.553 ( -3.057 -2.518 -5.006) 6.383 39.187 ( 10.127 2.094 4.078) 11.116 39.859 ( 16.626 7.995 -10.264) 21.112 40.511 ( 18.482 0.920 7.473) 19.956 44.529 ( -2.029 -0.578 0.011) 2.109 45.133 ( -5.216 -1.447 -0.060) 5.413 ======================= Grid point 157 (55/146) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -27.257 -4.788 11.632) 30.020 2.159 ( -38.262 -6.379 1.525) 38.820 2.365 ( -41.095 -8.916 5.679) 42.433 3.340 ( -3.525 -0.967 -7.146) 8.027 3.411 ( -11.320 -2.283 -9.123) 14.716 3.436 ( -1.281 0.538 0.827) 1.617 3.498 ( -5.862 -1.568 -0.067) 6.069 3.613 ( -6.389 -0.595 7.787) 10.090 3.778 ( -6.365 -1.575 2.825) 7.140 3.899 ( -0.281 0.050 -2.833) 2.847 4.191 ( 1.528 1.122 -0.099) 1.898 4.201 ( 0.892 -0.421 -0.789) 1.263 5.054 ( -1.581 -0.002 1.881) 2.457 6.001 ( 4.581 1.691 -1.002) 4.985 6.116 ( 3.510 0.809 -1.994) 4.117 6.189 ( 5.342 0.402 1.519) 5.569 6.509 ( 10.475 1.664 -3.253) 11.094 6.874 ( 7.801 1.018 -0.475) 7.881 8.251 ( -3.852 -0.733 0.056) 3.922 8.279 ( -4.497 -0.968 -0.481) 4.625 8.816 ( 6.673 1.277 0.954) 6.861 9.032 ( 8.645 1.690 -0.348) 8.815 12.358 ( 3.733 0.883 -1.082) 3.986 12.904 ( 2.012 -0.051 1.540) 2.534 12.944 ( -0.987 1.267 -1.333) 2.087 13.007 ( -3.872 -1.617 4.037) 5.823 13.583 ( -1.672 -0.219 4.297) 4.616 14.374 ( 5.457 1.283 -4.348) 7.094 15.733 ( 0.496 -0.270 1.119) 1.253 15.806 ( -1.213 -0.552 0.236) 1.354 21.135 ( -2.565 0.427 -1.093) 2.821 21.372 ( -4.587 0.990 0.563) 4.726 21.972 ( -4.103 -0.823 0.226) 4.191 22.314 ( -5.148 -2.771 2.005) 6.181 22.522 ( -6.671 3.210 -0.059) 7.403 22.731 ( -1.696 -1.323 -0.966) 2.358 23.624 ( -9.472 -1.022 -8.905) 13.040 24.334 ( -3.736 -0.948 2.622) 4.662 25.367 ( -0.136 0.234 -0.653) 0.707 25.446 ( -1.582 -2.761 4.007) 5.117 26.086 ( 18.069 -0.983 1.057) 18.127 26.299 ( 17.700 2.091 8.896) 19.920 26.496 ( 1.743 3.786 -1.273) 4.359 26.949 ( -0.996 -2.758 1.380) 3.240 27.225 ( 3.387 -0.390 -0.143) 3.412 27.949 ( -0.893 9.286 -13.029) 16.024 28.425 ( 3.315 -7.147 12.673) 14.922 29.369 ( 19.014 4.110 -2.151) 19.571 34.109 ( -7.980 8.999 -1.947) 12.184 35.134 ( -30.292 -16.637 5.027) 34.924 36.073 ( 1.330 -1.067 1.647) 2.371 36.311 ( -5.063 -1.483 0.528) 5.303 37.740 ( -3.599 3.207 -1.982) 5.212 38.294 ( 0.170 0.984 0.084) 1.002 38.468 ( -3.833 -0.635 -2.216) 4.473 39.315 ( 4.738 -0.672 -8.442) 9.704 40.198 ( 17.992 6.914 -0.771) 19.290 40.882 ( 22.062 1.023 5.719) 22.814 44.485 ( -2.541 -0.508 0.034) 2.591 45.021 ( -6.461 -1.243 -0.205) 6.583 ======================= Grid point 161 (56/146) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.000 23.312 29.483) 37.586 1.785 ( -0.000 36.615 12.198) 38.593 2.122 ( 0.000 34.289 26.159) 43.128 3.006 ( -0.000 13.602 -17.125) 21.870 3.026 ( -0.000 14.405 -16.624) 21.996 3.390 ( -0.000 -0.274 -2.934) 2.947 3.522 ( 0.000 -1.565 0.712) 1.719 3.703 ( 0.000 3.657 9.480) 10.161 3.777 ( 0.000 3.838 1.751) 4.219 3.816 ( -0.000 1.735 -3.188) 3.629 4.189 ( -0.000 -1.071 -1.552) 1.886 4.192 ( -0.000 -0.427 -1.774) 1.825 5.133 ( 0.000 -2.356 7.173) 7.550 6.028 ( 0.000 -3.978 -0.788) 4.055 6.120 ( -0.000 -2.874 -1.691) 3.335 6.269 ( 0.000 -4.469 0.133) 4.471 6.468 ( -0.000 -2.661 -10.541) 10.871 6.908 ( -0.000 -5.258 -7.158) 8.882 8.209 ( -0.000 3.086 -0.226) 3.094 8.215 ( -0.000 3.850 -0.539) 3.888 8.930 ( 0.000 -6.046 2.966) 6.735 9.097 ( 0.000 -3.952 -1.110) 4.105 12.407 ( 0.000 -5.802 1.665) 6.037 12.926 ( 0.000 -0.393 2.867) 2.894 12.983 ( 0.000 -1.852 1.240) 2.228 13.057 ( 0.000 3.348 6.818) 7.596 13.789 ( 0.000 -8.217 14.313) 16.504 14.281 ( -0.000 -3.801 -12.879) 13.428 15.740 ( -0.000 1.430 -0.029) 1.430 15.787 ( -0.000 1.884 -1.319) 2.300 21.104 ( 0.000 -0.054 0.889) 0.891 21.332 ( -0.000 2.624 0.900) 2.774 21.903 ( -0.000 12.102 -1.154) 12.157 22.373 ( 0.000 1.598 12.471) 12.573 22.479 ( 0.000 0.951 2.735) 2.896 22.689 ( -0.000 1.714 -1.852) 2.523 23.389 ( -0.000 -5.098 -7.652) 9.194 24.308 ( -0.000 4.604 -1.178) 4.752 25.365 ( 0.000 0.237 0.401) 0.466 25.458 ( -0.000 4.678 0.646) 4.722 26.350 ( 0.000 -12.601 0.505) 12.611 26.477 ( 0.000 -4.405 -1.250) 4.579 26.557 ( -0.000 0.501 -0.209) 0.543 27.081 ( 0.000 -6.939 7.306) 10.076 27.277 ( 0.000 -2.614 1.734) 3.137 27.584 ( -0.000 7.650 -11.465) 13.783 28.883 ( 0.000 -19.157 17.970) 26.266 29.550 ( 0.000 -18.881 -2.832) 19.092 34.003 ( 0.000 -1.230 5.266) 5.407 34.935 ( -0.000 35.563 9.019) 36.689 36.078 ( -0.000 2.029 -8.779) 9.011 36.195 ( -0.000 8.761 -1.713) 8.927 37.707 ( 0.000 -2.428 5.472) 5.987 38.294 ( -0.000 -1.025 -1.530) 1.841 38.358 ( -0.000 3.033 -4.450) 5.386 38.915 ( -0.000 18.921 -24.773) 31.172 40.572 ( 0.000 -32.002 7.834) 32.946 41.281 ( 0.000 -20.570 6.735) 21.645 44.455 ( -0.000 2.504 0.098) 2.506 44.936 ( -0.000 6.235 -0.397) 6.248 ======================= Grid point 162 (57/146) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 7.169 19.333 27.289) 34.203 2.279 ( 13.487 31.945 10.537) 36.241 2.601 ( 9.254 33.124 18.119) 38.873 3.127 ( 4.622 13.594 -13.413) 19.649 3.167 ( 5.222 15.044 -13.109) 20.626 3.380 ( 0.194 1.175 -3.757) 3.941 3.503 ( -0.001 -1.868 -1.699) 2.525 3.772 ( 0.837 1.156 -2.871) 3.207 3.788 ( 2.058 2.659 2.720) 4.324 3.877 ( 0.673 5.570 4.754) 7.354 4.174 ( -0.142 -0.749 -1.680) 1.845 4.176 ( -0.235 -1.129 -1.450) 1.853 5.135 ( 0.395 -1.965 4.830) 5.230 5.986 ( 0.474 -5.645 -0.416) 5.680 6.071 ( -1.595 -4.238 -1.815) 4.878 6.208 ( -2.266 -3.809 0.197) 4.436 6.375 ( -3.190 -4.474 -8.015) 9.717 6.812 ( -3.065 -4.796 -5.413) 7.854 8.244 ( 0.700 3.751 -0.549) 3.855 8.268 ( 1.800 3.904 -0.617) 4.343 8.858 ( -2.282 -6.876 2.765) 7.754 9.029 ( -2.116 -6.556 0.399) 6.901 12.343 ( -1.283 -5.513 0.241) 5.665 12.920 ( 0.027 -1.917 -0.269) 1.936 12.965 ( -0.778 -1.725 1.954) 2.721 13.136 ( 1.675 4.608 9.063) 10.304 13.751 ( -1.527 -4.927 9.719) 11.003 14.193 ( -1.039 -3.791 -12.467) 13.072 15.762 ( 0.233 2.180 1.252) 2.524 15.795 ( -0.651 1.881 -1.083) 2.266 21.120 ( 1.921 -0.146 -0.123) 1.931 21.387 ( 2.878 3.325 0.715) 4.455 21.979 ( 0.293 3.388 0.292) 3.413 22.473 ( 2.284 3.289 12.426) 13.055 22.543 ( 5.288 2.653 2.247) 6.328 22.704 ( 0.665 1.596 -1.221) 2.117 23.376 ( 4.652 2.488 -13.871) 14.840 24.358 ( 0.612 6.504 -1.011) 6.611 25.372 ( -0.298 0.839 1.153) 1.456 25.493 ( -1.942 5.042 0.558) 5.432 26.122 ( -9.683 -13.901 2.065) 17.067 26.419 ( -6.387 -2.259 -0.728) 6.814 26.510 ( -1.761 -4.991 3.831) 6.533 26.979 ( -6.430 -3.396 2.722) 7.764 27.271 ( 1.501 -3.455 3.618) 5.223 27.724 ( 11.554 1.951 -8.141) 14.268 28.677 ( -10.839 -10.325 10.880) 18.506 29.303 ( -5.135 -20.911 -3.886) 21.881 34.145 ( 14.715 -1.040 5.489) 15.740 35.229 ( -6.460 30.672 1.989) 31.408 36.007 ( -5.648 10.920 -3.640) 12.822 36.396 ( 9.837 4.555 3.998) 11.554 37.767 ( 6.981 -2.703 4.532) 8.751 38.256 ( -2.261 0.633 -3.977) 4.618 38.422 ( 5.571 1.705 -2.060) 6.180 38.990 ( -0.901 12.236 -17.752) 21.580 40.233 ( -6.393 -30.402 2.508) 31.168 41.010 ( -10.922 -19.820 5.291) 23.241 44.486 ( 0.798 2.416 0.032) 2.544 45.013 ( 2.146 6.224 -0.435) 6.598 ======================= Grid point 163 (58/146) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 9.558 14.571 23.415) 29.188 2.844 ( 17.279 25.772 7.535) 31.930 3.121 ( 11.638 24.604 9.650) 28.878 3.241 ( 0.999 4.766 -2.715) 5.575 3.361 ( 6.844 14.350 -10.192) 18.885 3.449 ( 4.819 6.458 -5.353) 9.674 3.482 ( 1.596 0.100 -5.842) 6.057 3.798 ( 3.558 3.249 -6.238) 7.882 3.876 ( 2.979 2.645 4.571) 6.063 3.947 ( 0.275 4.221 2.887) 5.122 4.143 ( -2.019 -0.574 -1.222) 2.429 4.169 ( 1.025 -1.310 -1.165) 2.030 5.139 ( 0.856 -2.079 1.985) 2.999 5.922 ( -0.872 -8.688 0.699) 8.759 5.978 ( -3.199 -4.525 -2.478) 6.070 6.132 ( -3.452 -2.818 -0.548) 4.489 6.244 ( -4.626 -3.585 -3.969) 7.071 6.693 ( -4.608 -3.487 -2.945) 6.486 8.296 ( 1.303 3.954 -0.696) 4.221 8.337 ( 2.611 3.275 -0.859) 4.276 8.752 ( -3.464 -6.841 2.249) 7.991 8.909 ( -4.295 -7.864 1.342) 9.060 12.273 ( -1.290 -4.241 -1.002) 4.545 12.893 ( -0.531 -2.149 -1.254) 2.545 12.940 ( -1.380 -1.201 2.377) 2.999 13.249 ( 3.146 4.033 8.240) 9.698 13.717 ( -1.207 -2.863 5.380) 6.213 14.099 ( -1.530 -3.042 -10.687) 11.217 15.789 ( -1.066 1.452 2.636) 3.193 15.799 ( 0.035 2.431 -0.644) 2.515 21.157 ( 2.595 0.135 -1.280) 2.897 21.484 ( 3.217 5.677 0.315) 6.533 21.996 ( 0.785 -0.609 -1.179) 1.541 22.564 ( 0.547 4.055 8.710) 9.623 22.680 ( 7.014 0.357 1.132) 7.114 22.737 ( 2.967 0.029 0.473) 3.005 23.495 ( 10.359 6.134 -14.457) 18.813 24.448 ( 1.470 9.196 -1.260) 9.398 25.357 ( -5.315 1.050 3.572) 6.489 25.482 ( -4.013 3.320 1.466) 5.411 25.866 ( -5.906 -12.241 2.025) 13.741 26.174 ( -17.510 -6.198 10.803) 21.488 26.492 ( 3.776 -5.691 0.558) 6.853 26.840 ( -8.459 -0.009 -5.487) 10.083 27.298 ( 3.816 -2.619 4.644) 6.557 27.874 ( 8.513 -0.881 -5.795) 10.336 28.472 ( -9.348 -3.313 6.259) 11.727 28.990 ( -6.615 -20.074 -4.701) 21.652 34.436 ( 15.353 2.838 6.351) 16.855 35.308 ( -6.133 14.584 -11.068) 19.308 36.117 ( -1.788 20.398 8.037) 21.997 36.590 ( 9.348 -1.482 7.847) 12.294 37.888 ( 8.128 -0.895 2.169) 8.460 38.219 ( -2.418 3.552 -6.150) 7.503 38.553 ( 8.611 1.336 1.227) 8.800 38.984 ( -5.045 6.649 -10.805) 13.653 39.838 ( -7.802 -26.464 -4.016) 27.880 40.632 ( -14.848 -16.666 4.895) 22.851 44.523 ( 1.100 1.955 0.014) 2.243 45.109 ( 2.896 5.058 -0.413) 5.843 ======================= Grid point 164 (59/146) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 8.677 10.426 18.227) 22.721 3.150 ( -5.932 -1.878 -1.428) 6.384 3.349 ( 15.307 19.024 4.555) 24.839 3.427 ( 1.615 -2.121 -5.097) 5.752 3.546 ( 5.300 7.713 -4.599) 10.427 3.604 ( 5.451 9.514 -5.580) 12.303 3.646 ( 12.136 18.762 2.948) 22.539 3.908 ( 4.808 4.847 -2.434) 7.249 3.964 ( 3.843 2.959 1.266) 5.013 3.978 ( -0.769 1.977 0.612) 2.208 4.086 ( -4.207 -0.255 -0.386) 4.232 4.177 ( 1.489 -0.662 -0.534) 1.715 5.134 ( 0.806 -2.236 -0.821) 2.515 5.800 ( -3.192 -8.396 0.280) 8.987 5.859 ( -3.817 -8.144 -2.216) 9.263 6.048 ( -3.410 -0.033 -1.094) 3.581 6.161 ( -2.549 -0.801 0.448) 2.709 6.590 ( -3.950 -1.570 -0.084) 4.251 8.352 ( 1.339 3.482 -0.467) 3.760 8.406 ( 3.142 2.075 -1.125) 3.930 8.642 ( -3.320 -5.643 1.375) 6.690 8.762 ( -5.046 -7.343 1.436) 9.024 12.220 ( -0.449 -2.654 -1.657) 3.160 12.858 ( -0.756 -1.993 -0.981) 2.346 12.916 ( -1.432 -0.316 2.089) 2.552 13.354 ( 2.661 2.344 5.352) 6.420 13.693 ( -0.698 -1.683 2.186) 2.846 14.023 ( -0.859 -1.611 -7.513) 7.732 15.779 ( -1.645 0.563 1.707) 2.437 15.829 ( 0.051 2.344 1.829) 2.974 21.193 ( 2.182 0.353 -2.266) 3.166 21.586 ( 0.412 8.694 -0.049) 8.704 21.995 ( 1.832 -2.213 -3.037) 4.181 22.617 ( -3.153 6.743 3.817) 8.365 22.758 ( 5.129 -3.519 -0.518) 6.241 22.821 ( 5.009 1.783 0.418) 5.333 23.705 ( 16.470 -0.760 -12.035) 20.413 24.555 ( 0.219 10.833 -2.998) 11.242 25.206 ( -14.698 0.357 10.003) 17.783 25.478 ( -1.196 3.703 1.080) 4.038 25.679 ( -8.179 -10.739 9.360) 16.427 25.924 ( -7.455 -5.304 8.868) 12.741 26.509 ( 7.122 -11.868 -0.392) 13.847 26.682 ( -9.850 6.116 -6.554) 13.319 27.361 ( 4.159 -1.878 1.935) 4.957 27.954 ( 3.811 0.668 -3.819) 5.436 28.339 ( -6.472 -1.732 2.748) 7.242 28.713 ( -3.348 -16.159 -4.743) 17.171 34.674 ( 0.587 12.918 2.557) 13.182 35.329 ( 6.464 1.410 -8.615) 10.862 36.301 ( -1.818 15.264 8.322) 17.480 36.717 ( 8.149 -8.714 9.210) 15.072 38.033 ( 7.812 3.894 -0.477) 8.742 38.207 ( -2.628 6.919 -5.588) 9.274 38.714 ( 5.981 3.584 0.021) 6.972 38.881 ( -7.788 0.585 -1.416) 7.937 39.484 ( -4.478 -20.445 -9.732) 23.082 40.286 ( -11.501 -12.405 5.081) 17.663 44.556 ( 0.872 1.282 0.011) 1.551 45.192 ( 2.330 3.312 -0.290) 4.059 ======================= Grid point 165 (60/146) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -10.542 -2.973 -0.626) 10.971 3.092 ( 6.081 6.638 12.344) 15.278 3.406 ( 1.691 -2.663 -5.917) 6.706 3.625 ( 2.217 2.644 -3.619) 5.001 3.712 ( 9.153 10.562 1.980) 14.116 3.757 ( 3.320 7.453 -1.952) 8.389 3.907 ( -2.785 2.043 -0.900) 3.569 3.962 ( -0.276 4.063 -0.764) 4.143 4.000 ( -1.124 1.248 0.064) 1.681 4.015 ( 0.117 6.381 0.649) 6.415 4.055 ( 3.031 2.100 -0.188) 3.692 4.191 ( -0.631 -0.425 1.307) 1.512 5.119 ( 0.489 -1.729 -2.518) 3.094 5.694 ( -1.110 -5.506 -1.179) 5.739 5.725 ( -0.401 -6.863 -1.198) 6.978 6.025 ( -0.944 2.135 0.416) 2.371 6.130 ( -1.364 -0.115 1.836) 2.290 6.545 ( -1.065 0.074 2.273) 2.511 8.400 ( 1.316 2.256 0.344) 2.634 8.474 ( 3.956 0.890 -1.276) 4.251 8.555 ( -2.200 -3.378 0.085) 4.031 8.629 ( -4.105 -5.158 1.018) 6.670 12.198 ( 0.710 -1.190 -1.787) 2.261 12.828 ( -0.396 -1.559 -0.264) 1.630 12.903 ( -0.908 0.449 1.351) 1.689 13.397 ( -0.697 0.161 1.590) 1.744 13.675 ( -0.629 -0.861 0.329) 1.116 14.005 ( 2.027 0.213 -3.614) 4.149 15.761 ( -1.550 -0.209 2.421) 2.882 15.852 ( -0.381 1.654 1.912) 2.557 21.217 ( 1.150 0.527 -2.774) 3.049 21.648 ( -3.766 9.877 -0.267) 10.574 21.999 ( 2.665 -2.119 -3.891) 5.171 22.615 ( -5.257 5.824 0.875) 7.895 22.788 ( 2.310 -1.934 -3.599) 4.693 22.905 ( 1.531 3.029 1.081) 3.562 23.897 ( 18.566 -12.911 -12.170) 25.681 24.623 ( -2.560 10.346 -5.667) 12.071 25.022 ( -12.300 0.979 16.473) 20.582 25.499 ( -2.899 5.221 1.948) 6.282 25.516 ( -6.410 -3.768 19.846) 21.194 25.850 ( 0.359 -5.431 0.724) 5.491 26.436 ( 5.399 -18.580 -7.764) 20.848 26.683 ( -1.736 13.060 3.601) 13.659 27.381 ( 1.438 -4.510 -2.681) 5.440 27.994 ( -1.184 4.708 -2.447) 5.437 28.250 ( -0.942 -2.696 0.331) 2.875 28.566 ( 2.315 -10.208 -3.931) 11.182 34.697 ( -13.374 18.055 -6.051) 23.269 35.515 ( 15.957 -2.353 4.864) 16.847 36.358 ( -3.652 2.084 0.997) 4.322 36.739 ( 3.538 -13.936 9.125) 17.030 38.202 ( -4.294 9.627 -4.928) 11.636 38.227 ( 5.753 8.772 0.964) 10.535 38.661 ( -9.028 2.317 -4.766) 10.469 38.876 ( 1.532 -1.555 3.462) 4.093 39.289 ( 5.316 -11.690 -9.294) 15.852 40.084 ( -2.902 -8.287 5.185) 10.196 44.574 ( 0.221 0.593 -0.008) 0.633 45.241 ( 0.772 1.577 -0.131) 1.761 ======================= Grid point 166 (61/146) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -15.520 -3.125 1.307) 15.886 3.244 ( 3.360 2.891 5.395) 6.982 3.400 ( 2.010 -1.311 -3.609) 4.334 3.646 ( -10.651 -0.632 -1.024) 10.718 3.669 ( -6.244 -0.324 -1.663) 6.470 3.823 ( -1.336 3.559 1.138) 3.968 3.886 ( -3.546 -0.279 -1.812) 3.992 3.935 ( -8.785 0.990 -1.758) 9.014 3.999 ( -0.822 4.095 0.461) 4.202 4.018 ( -0.731 2.072 0.534) 2.261 4.110 ( -2.826 -2.793 0.495) 4.004 4.163 ( 0.301 1.929 0.983) 2.186 5.106 ( 0.227 -0.586 -2.268) 2.353 5.675 ( 4.462 -2.002 -1.935) 5.259 5.752 ( 8.091 -1.179 -0.863) 8.222 6.046 ( 0.253 2.187 1.478) 2.652 6.129 ( 1.016 -0.215 1.764) 2.047 6.569 ( 2.477 0.456 2.654) 3.659 8.430 ( -0.793 0.796 1.423) 1.813 8.495 ( -2.028 -3.042 -1.226) 3.856 8.524 ( 1.653 -0.426 -0.971) 1.964 8.593 ( 4.805 0.415 0.548) 4.854 12.208 ( 1.871 -0.071 -1.621) 2.476 12.817 ( 0.469 -1.012 0.503) 1.224 12.904 ( -0.048 0.812 0.432) 0.921 13.348 ( -4.746 -0.921 0.051) 4.835 13.655 ( -1.023 -0.418 -0.266) 1.137 14.066 ( 5.242 1.228 -1.814) 5.681 15.743 ( -1.115 -0.812 2.855) 3.171 15.859 ( -0.840 0.735 1.311) 1.722 21.222 ( -0.186 0.754 -2.673) 2.783 21.645 ( -6.681 7.974 -0.327) 10.408 22.015 ( 2.158 -0.470 -3.570) 4.197 22.560 ( -6.385 2.308 0.581) 6.814 22.779 ( -0.984 0.412 -2.092) 2.348 22.915 ( -3.125 1.757 -2.652) 4.459 23.963 ( 9.704 -13.763 -11.312) 20.286 24.607 ( -7.816 6.710 -2.529) 10.607 25.003 ( 5.444 -3.298 16.893) 18.053 25.492 ( -4.824 4.178 1.894) 6.657 25.540 ( -0.299 6.247 18.909) 19.916 25.807 ( 1.802 -7.044 -2.209) 7.599 26.363 ( 7.293 -12.191 -7.193) 15.924 26.834 ( 2.480 12.185 7.515) 14.529 27.298 ( -1.811 -8.680 -6.269) 10.860 27.975 ( -4.198 4.564 -3.316) 7.032 28.290 ( 5.160 -0.267 1.972) 5.530 28.565 ( 8.528 -4.732 -4.360) 10.683 34.593 ( -15.497 16.358 -6.989) 23.592 35.773 ( 12.788 -2.359 11.995) 17.691 36.234 ( -7.156 -6.225 -5.259) 10.845 36.633 ( -3.053 -14.017 6.623) 15.801 38.108 ( -11.951 5.624 -2.956) 13.535 38.408 ( -0.843 11.573 3.704) 12.180 38.591 ( -0.857 1.536 -7.893) 8.087 38.858 ( 4.302 -4.011 1.995) 6.211 39.378 ( 13.359 -0.394 -7.212) 15.187 40.072 ( 6.865 -5.336 5.521) 10.300 44.573 ( -0.643 0.080 -0.012) 0.648 45.244 ( -1.430 0.273 -0.059) 1.457 ======================= Grid point 167 (62/146) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -20.297 -2.023 5.493) 21.125 3.255 ( -27.260 -2.325 0.412) 27.362 3.297 ( 0.722 -0.543 -1.340) 1.616 3.422 ( 0.179 0.745 0.191) 0.790 3.540 ( -21.703 -2.518 1.983) 21.938 3.709 ( -5.724 -0.291 -2.904) 6.425 3.767 ( -7.793 -1.242 -5.112) 9.402 3.808 ( -5.277 1.350 4.388) 6.995 3.944 ( -4.474 1.097 -0.497) 4.633 4.015 ( -5.243 -2.613 0.172) 5.861 4.111 ( 3.303 2.489 0.270) 4.145 4.176 ( 0.428 -0.217 -0.575) 0.749 5.098 ( -0.626 0.350 -0.487) 0.867 5.773 ( 8.071 0.760 -1.354) 8.219 5.913 ( 10.154 0.849 -1.732) 10.335 6.074 ( 1.245 0.371 1.568) 2.036 6.187 ( 5.969 0.110 0.577) 5.998 6.643 ( 5.406 -0.243 0.977) 5.499 8.391 ( -4.201 0.079 0.251) 4.210 8.417 ( -3.328 -1.773 -0.836) 3.863 8.593 ( 5.881 0.715 0.346) 5.935 8.724 ( 8.961 0.966 0.524) 9.028 12.245 ( 2.868 0.560 -1.410) 3.245 12.829 ( 1.589 -0.492 1.347) 2.141 12.918 ( 0.793 0.704 -0.504) 1.175 13.241 ( -7.203 -0.759 1.298) 7.359 13.634 ( -1.285 -0.055 0.584) 1.412 14.169 ( 6.490 1.114 -2.774) 7.146 15.730 ( -0.464 -1.074 2.781) 3.017 15.847 ( -1.207 -0.160 0.319) 1.259 21.208 ( -1.487 1.032 -1.988) 2.689 21.582 ( -7.766 4.098 -0.075) 8.781 22.030 ( 0.452 0.832 -2.515) 2.688 22.466 ( -5.954 -0.938 2.811) 6.651 22.759 ( -2.655 2.834 -0.570) 3.925 22.827 ( -6.339 -0.379 -4.121) 7.570 23.895 ( -2.668 -4.006 -9.944) 11.047 24.515 ( -7.675 1.676 3.967) 8.801 25.193 ( 15.065 -5.694 8.260) 18.099 25.447 ( -3.532 0.261 2.836) 4.537 25.691 ( 2.894 6.231 5.917) 9.068 25.801 ( 9.091 -6.979 3.403) 11.955 26.394 ( 6.457 -2.211 -3.619) 7.725 27.009 ( 0.645 10.016 7.821) 12.724 27.147 ( -0.770 -10.083 -7.040) 12.322 27.957 ( -1.426 4.959 -4.248) 6.684 28.350 ( 2.533 -3.195 3.266) 5.224 28.748 ( 16.662 1.445 -3.730) 17.135 34.468 ( -13.988 12.318 -3.225) 18.915 35.814 ( -5.224 -16.290 0.540) 17.116 36.104 ( -3.720 5.384 5.647) 8.643 36.459 ( -5.018 -8.548 2.736) 10.283 37.954 ( -10.059 3.702 -2.115) 10.925 38.411 ( -8.198 4.745 1.012) 9.526 38.549 ( -0.410 -0.428 -4.154) 4.196 39.017 ( 12.539 -0.854 2.356) 12.787 39.621 ( 16.319 5.595 -9.104) 19.506 40.232 ( 15.279 -3.888 5.756) 16.784 44.555 ( -1.523 -0.133 0.008) 1.529 45.200 ( -3.825 -0.322 -0.128) 3.841 ======================= Grid point 168 (63/146) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -23.881 0.774 12.571) 26.999 2.743 ( -34.140 0.910 2.470) 34.241 2.976 ( -35.801 -1.106 3.884) 36.028 3.327 ( 0.608 -1.297 -4.767) 4.978 3.456 ( -0.073 0.907 2.540) 2.698 3.562 ( -11.226 -0.886 -8.624) 14.184 3.611 ( -8.151 0.690 -4.634) 9.401 3.744 ( -6.120 0.804 6.823) 9.200 3.876 ( -5.247 0.218 1.776) 5.544 3.916 ( -3.510 -0.255 -2.251) 4.178 4.164 ( 2.220 -0.735 -0.626) 2.421 4.185 ( 0.809 0.756 -0.362) 1.164 5.090 ( -1.310 0.895 2.004) 2.556 5.916 ( 7.564 1.501 0.027) 7.712 6.038 ( 5.542 0.126 -2.948) 6.279 6.117 ( 3.687 -0.867 1.625) 4.121 6.323 ( 10.553 -1.004 -2.704) 10.940 6.742 ( 7.446 -1.270 -1.399) 7.682 8.313 ( -4.399 -0.614 -0.749) 4.504 8.349 ( -4.300 0.494 -0.208) 4.333 8.711 ( 7.145 0.266 1.355) 7.277 8.888 ( 9.761 0.081 0.596) 9.780 12.299 ( 3.536 0.536 -1.211) 3.776 12.868 ( 2.666 -0.060 2.367) 3.566 12.937 ( 1.250 0.312 -1.359) 1.872 13.120 ( -7.785 -0.112 3.887) 8.702 13.620 ( -1.231 0.295 3.107) 3.355 14.270 ( 6.214 0.420 -4.993) 7.983 15.727 ( 0.204 -0.916 2.172) 2.366 15.820 ( -1.379 -0.758 -0.722) 1.732 21.182 ( -2.379 1.303 -0.863) 2.846 21.477 ( -7.025 -0.092 0.287) 7.031 22.021 ( -1.938 0.886 -1.028) 2.366 22.391 ( -4.149 0.741 5.515) 6.941 22.686 ( -9.132 1.182 -0.687) 9.234 22.749 ( -1.594 1.396 -0.468) 2.170 23.761 ( -8.883 4.340 -9.559) 13.752 24.414 ( -6.424 -1.638 3.411) 7.455 25.339 ( 4.965 -3.209 -2.012) 6.245 25.424 ( 0.622 -3.054 4.274) 5.290 25.823 ( 12.791 -0.075 1.359) 12.863 25.997 ( 16.918 -6.637 5.021) 18.854 26.482 ( 3.176 3.219 0.329) 4.534 26.954 ( -2.432 -6.291 -4.790) 8.272 27.190 ( 2.605 5.147 4.891) 7.563 27.995 ( 1.134 6.100 -4.780) 7.832 28.351 ( 1.382 -4.957 4.565) 6.879 29.064 ( 19.851 1.832 -2.068) 20.042 34.344 ( -11.305 5.156 2.385) 12.652 35.463 ( -20.423 -5.530 -3.374) 21.426 36.049 ( -4.697 -7.039 -1.257) 8.555 36.407 ( -2.429 5.258 7.846) 9.752 37.852 ( -6.047 3.432 1.113) 7.042 38.313 ( -3.384 -2.100 -2.664) 4.792 38.533 ( -3.277 3.347 0.612) 4.724 39.170 ( 8.105 -3.236 -5.574) 10.356 39.942 ( 18.755 5.188 -4.806) 20.044 40.519 ( 21.355 -3.904 4.807) 22.235 44.523 ( -2.236 -0.010 0.012) 2.236 45.117 ( -5.759 -0.016 -0.270) 5.765 ======================= Grid point 173 (64/146) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 0.000 17.783 26.828) 32.187 2.515 ( -0.000 32.694 8.920) 33.889 2.900 ( 0.000 32.091 15.478) 35.629 3.179 ( -0.000 12.865 -10.241) 16.443 3.237 ( -0.000 17.520 -11.935) 21.199 3.381 ( -0.000 2.712 -4.002) 4.835 3.471 ( -0.000 -2.791 -3.980) 4.861 3.750 ( -0.000 1.358 -7.665) 7.785 3.818 ( 0.000 2.574 6.256) 6.765 3.943 ( 0.000 5.769 3.837) 6.928 4.147 ( -0.000 -2.369 -1.469) 2.787 4.173 ( -0.000 -0.253 -1.486) 1.508 5.124 ( 0.000 -2.566 3.425) 4.279 5.920 ( 0.000 -6.899 -0.655) 6.930 6.039 ( 0.000 -4.723 -1.211) 4.876 6.190 ( 0.000 -3.604 -0.073) 3.605 6.332 ( -0.000 -5.111 -6.057) 7.925 6.776 ( -0.000 -4.227 -4.713) 6.330 8.271 ( -0.000 3.799 -0.674) 3.859 8.295 ( -0.000 4.887 -0.658) 4.931 8.817 ( 0.000 -7.727 2.616) 8.158 8.980 ( 0.000 -7.992 0.906) 8.044 12.299 ( 0.000 -5.700 -0.200) 5.703 12.898 ( 0.000 -2.399 -0.414) 2.434 12.964 ( 0.000 -1.171 1.936) 2.262 13.195 ( 0.000 4.337 8.571) 9.606 13.745 ( 0.000 -4.800 7.619) 9.006 14.125 ( -0.000 -3.518 -11.557) 12.080 15.790 ( 0.000 2.980 1.661) 3.412 15.816 ( -0.000 2.002 -1.153) 2.310 21.097 ( -0.000 -0.746 -0.314) 0.809 21.383 ( -0.000 2.075 0.503) 2.135 21.996 ( 0.000 -0.485 0.703) 0.854 22.516 ( 0.000 0.928 2.463) 2.632 22.533 ( 0.000 2.332 12.224) 12.444 22.717 ( -0.000 2.502 -1.634) 2.988 23.363 ( -0.000 12.045 -13.933) 18.417 24.402 ( -0.000 5.898 -1.103) 6.000 25.386 ( 0.000 1.235 1.598) 2.019 25.560 ( -0.000 5.741 -1.191) 5.863 26.078 ( 0.000 -16.300 1.839) 16.404 26.363 ( -0.000 -6.078 -2.488) 6.568 26.583 ( 0.000 -0.558 10.421) 10.436 27.022 ( 0.000 -2.439 -0.680) 2.532 27.235 ( 0.000 -3.164 2.142) 3.821 27.619 ( -0.000 2.353 -3.432) 4.161 28.685 ( 0.000 -11.120 5.060) 12.217 29.124 ( 0.000 -22.370 -3.720) 22.677 34.015 ( 0.000 -1.283 5.144) 5.302 35.641 ( -0.000 32.430 2.179) 32.503 36.056 ( -0.000 1.968 -8.814) 9.031 36.450 ( 0.000 16.251 9.127) 18.638 37.697 ( 0.000 -2.509 5.430) 5.982 38.263 ( -0.000 -1.148 -1.462) 1.859 38.373 ( -0.000 1.764 -5.713) 5.979 39.058 ( -0.000 10.524 -13.182) 16.868 39.988 ( 0.000 -32.604 2.202) 32.678 40.922 ( 0.000 -20.064 2.983) 20.285 44.503 ( -0.000 2.407 -0.002) 2.407 45.056 ( -0.000 6.393 -0.414) 6.407 ======================= Grid point 174 (65/146) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 4.377 14.767 23.306) 27.936 2.911 ( 8.685 28.017 7.079) 30.174 3.221 ( 1.475 9.215 0.904) 9.376 3.298 ( 3.560 17.848 4.599) 18.772 3.393 ( 2.883 15.521 -8.757) 18.053 3.431 ( 1.754 3.426 -3.405) 5.139 3.444 ( 2.667 6.685 -7.654) 10.507 3.763 ( 2.087 3.943 -6.629) 7.991 3.870 ( 1.748 1.319 4.447) 4.957 4.002 ( -0.357 4.912 1.950) 5.297 4.124 ( 0.927 -3.164 -1.184) 3.504 4.162 ( -0.698 0.222 -0.939) 1.191 5.111 ( 0.434 -2.775 1.630) 3.248 5.849 ( -0.058 -8.086 -0.050) 8.086 5.966 ( -2.189 -6.219 -1.220) 6.705 6.146 ( -1.647 -2.557 -0.550) 3.090 6.250 ( -2.081 -4.180 -3.364) 5.754 6.708 ( -2.278 -2.939 -3.264) 4.948 8.314 ( 0.915 4.046 -0.898) 4.244 8.345 ( 0.655 4.628 -0.671) 4.722 8.735 ( -1.854 -7.704 2.215) 8.228 8.886 ( -2.048 -8.903 1.349) 9.234 12.242 ( -0.563 -4.620 -0.706) 4.708 12.872 ( -0.105 -2.363 -0.821) 2.504 12.955 ( -0.737 -0.727 1.947) 2.205 13.272 ( 1.569 3.433 7.382) 8.291 13.719 ( -0.662 -3.651 4.769) 6.043 14.055 ( -0.601 -2.576 -9.476) 9.838 15.823 ( -0.723 1.995 -1.273) 2.475 15.827 ( -0.033 2.705 2.348) 3.582 21.109 ( 2.338 -0.564 -0.625) 2.485 21.445 ( 4.915 2.355 0.197) 5.454 21.979 ( -0.270 -2.170 -0.182) 2.194 22.575 ( 5.033 1.385 2.021) 5.598 22.592 ( 2.671 -1.862 8.708) 9.297 22.731 ( -0.542 2.452 -1.232) 2.797 23.474 ( 0.686 16.148 -10.507) 19.278 24.478 ( 2.673 6.703 -1.428) 7.357 25.408 ( 0.095 1.608 2.176) 2.708 25.587 ( -2.246 4.588 -2.355) 5.625 25.857 ( -7.293 -14.952 3.222) 16.945 26.339 ( 3.620 -5.621 -2.918) 7.295 26.480 ( -15.537 -3.345 14.501) 21.515 26.947 ( -5.048 1.506 -9.225) 10.623 27.230 ( 2.107 -3.853 5.264) 6.855 27.714 ( 8.477 0.827 -1.221) 8.604 28.557 ( -4.303 -7.946 1.534) 9.166 28.870 ( -4.589 -20.098 -3.091) 20.846 34.156 ( 15.752 -1.480 4.992) 16.591 35.691 ( -18.022 20.688 -9.561) 29.055 36.212 ( 10.658 7.547 1.513) 13.147 36.629 ( -3.335 16.415 12.347) 20.809 37.755 ( 7.082 -1.188 3.570) 8.020 38.247 ( -0.274 1.456 -4.743) 4.969 38.421 ( 6.862 -0.857 -1.703) 7.121 39.086 ( -2.721 7.601 -8.998) 12.089 39.657 ( -4.085 -29.935 -0.088) 30.213 40.677 ( -8.425 -17.192 1.820) 19.232 44.529 ( 0.535 2.012 -0.007) 2.082 45.123 ( 1.343 5.388 -0.370) 5.565 ======================= Grid point 175 (66/146) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 5.821 11.175 18.519) 22.399 3.212 ( -3.406 -0.612 -0.617) 3.515 3.335 ( 10.410 19.030 3.279) 21.938 3.351 ( 2.295 -2.384 -5.507) 6.424 3.531 ( 3.195 7.166 -5.340) 9.491 3.601 ( 4.876 12.461 -5.763) 14.569 3.683 ( 7.569 19.232 5.073) 21.281 3.866 ( 5.652 7.339 -3.949) 10.070 3.924 ( 2.686 -0.222 2.592) 3.740 4.032 ( -1.283 3.477 -0.173) 3.710 4.109 ( 1.068 -2.888 -0.386) 3.103 4.155 ( -0.503 1.305 -0.354) 1.443 5.098 ( 0.680 -2.529 0.012) 2.619 5.760 ( -1.548 -8.272 1.038) 8.479 5.840 ( -4.096 -8.289 -1.726) 9.405 6.089 ( -2.495 -0.645 -1.554) 3.009 6.185 ( -1.601 -1.545 -0.328) 2.249 6.633 ( -3.191 -1.483 -1.290) 3.748 8.368 ( 1.222 4.083 -0.939) 4.364 8.392 ( 0.757 3.190 -0.697) 3.352 8.636 ( -2.426 -6.556 1.573) 7.165 8.762 ( -3.393 -8.316 1.380) 9.087 12.195 ( -0.318 -2.940 -0.938) 3.103 12.845 ( -0.365 -1.917 -0.835) 2.122 12.941 ( -1.123 -0.325 1.631) 2.007 13.352 ( 2.205 1.950 5.113) 5.900 13.691 ( -0.535 -2.352 2.271) 3.313 13.998 ( -0.643 -1.212 -6.503) 6.647 15.815 ( -1.493 1.088 -0.529) 1.922 15.859 ( -0.076 2.288 2.149) 3.140 21.148 ( 2.802 -0.037 -0.977) 2.967 21.582 ( 7.371 4.297 0.032) 8.532 21.950 ( -0.131 -2.483 -1.575) 2.944 22.644 ( 4.738 -3.072 1.354) 5.807 22.725 ( 8.288 4.116 5.324) 10.676 22.740 ( -0.964 2.888 -0.684) 3.120 23.565 ( -0.938 7.484 -7.554) 10.675 24.597 ( 3.753 7.482 -2.551) 8.751 25.423 ( -3.141 2.495 5.398) 6.725 25.544 ( -5.560 2.068 0.456) 5.949 25.667 ( -1.273 -8.807 -0.013) 8.899 26.162 ( -20.945 -4.694 12.831) 25.007 26.319 ( 1.842 -9.744 -2.521) 10.232 26.849 ( -5.802 5.903 -10.890) 13.679 27.262 ( 3.831 -5.133 6.451) 9.091 27.860 ( 7.839 1.985 -0.699) 8.117 28.433 ( -3.981 -4.736 1.030) 6.272 28.598 ( -5.781 -15.736 -3.430) 17.112 34.493 ( 23.161 -0.346 4.961) 23.689 35.527 ( -18.139 17.185 -12.300) 27.850 36.415 ( 7.903 -1.180 6.863) 10.533 36.701 ( -8.722 11.183 9.651) 17.154 37.921 ( 10.131 4.437 0.374) 11.066 38.257 ( 0.700 4.413 -6.678) 8.035 38.572 ( 12.038 -1.061 3.023) 12.457 39.040 ( -7.889 3.750 -2.535) 9.096 39.317 ( -4.341 -23.530 -5.420) 24.533 40.369 ( -11.425 -12.891 1.771) 17.316 44.556 ( 0.676 1.380 0.014) 1.537 45.191 ( 1.681 3.676 -0.269) 4.051 ======================= Grid point 176 (67/146) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( 4.497 7.040 12.041) 14.655 3.115 ( -7.231 -1.149 1.175) 7.416 3.311 ( 2.922 -4.752 -7.305) 9.191 3.602 ( 2.254 3.088 -3.727) 5.339 3.684 ( 8.673 13.067 2.342) 15.858 3.767 ( 3.884 9.132 -2.642) 10.269 3.935 ( 4.861 7.150 0.627) 8.669 3.953 ( 1.577 -1.734 1.082) 2.581 4.013 ( 3.026 4.684 -0.640) 5.614 4.031 ( -0.424 1.883 -0.906) 2.132 4.104 ( -0.800 1.662 0.701) 1.973 4.183 ( 1.839 3.011 -0.015) 3.529 5.087 ( 0.700 -1.576 -0.987) 1.987 5.663 ( -1.827 -6.027 1.396) 6.451 5.685 ( -3.762 -7.727 -1.786) 8.778 6.058 ( -1.092 1.562 -1.320) 2.319 6.155 ( -1.320 -0.585 1.017) 1.766 6.576 ( -2.296 -0.519 0.489) 2.405 8.412 ( -0.065 2.720 -0.027) 2.721 8.431 ( 2.123 1.740 -1.159) 2.979 8.554 ( -1.662 -4.065 0.679) 4.444 8.641 ( -3.313 -5.940 0.969) 6.870 12.173 ( 0.397 -1.272 -0.898) 1.607 12.821 ( -0.432 -1.228 -0.483) 1.389 12.925 ( -1.026 -0.076 1.076) 1.489 13.404 ( 0.923 0.359 2.128) 2.347 13.674 ( -0.199 -1.130 0.721) 1.355 13.974 ( 0.509 0.165 -3.203) 3.248 15.793 ( -1.778 0.210 0.293) 1.814 15.879 ( -0.379 1.230 1.620) 2.069 21.188 ( 2.124 0.435 -1.167) 2.462 21.739 ( 4.167 7.040 0.221) 8.183 21.923 ( 1.094 -2.990 -2.485) 4.039 22.689 ( 2.942 -1.271 -2.234) 3.906 22.756 ( -0.222 3.007 0.638) 3.082 22.945 ( 5.812 11.187 6.201) 14.049 23.523 ( 2.642 -11.159 -7.884) 13.916 24.697 ( 1.238 6.707 -4.567) 8.208 25.332 ( -14.639 2.923 11.287) 18.714 25.564 ( 3.750 5.604 -0.053) 6.743 25.612 ( -0.658 -1.665 4.128) 4.499 25.863 ( -11.123 -7.118 6.565) 14.747 26.176 ( -1.938 -16.176 -5.949) 17.344 26.844 ( -1.311 11.169 -3.639) 11.819 27.272 ( 2.526 -8.172 1.933) 8.769 28.005 ( 5.698 5.677 -0.260) 8.047 28.318 ( -8.180 -1.792 1.476) 8.503 28.406 ( 1.719 -12.187 -3.930) 12.920 34.890 ( 17.505 6.431 3.321) 18.942 35.363 ( -10.851 8.296 -8.021) 15.839 36.489 ( 1.836 -5.481 6.217) 8.489 36.628 ( -8.090 -0.253 4.573) 9.296 38.159 ( 10.091 10.287 -1.540) 14.492 38.311 ( 1.319 6.221 -3.327) 7.178 38.787 ( 10.508 2.804 2.339) 11.124 38.856 ( -11.954 -6.364 4.323) 14.215 39.082 ( -0.765 -11.469 -10.035) 15.258 40.105 ( -8.187 -8.658 1.994) 12.081 44.575 ( 0.406 0.706 0.014) 0.815 45.241 ( 1.135 1.905 -0.134) 2.222 ======================= Grid point 177 (68/146) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -11.511 -0.928 3.051) 11.945 3.220 ( 2.669 -1.035 -1.559) 3.260 3.338 ( 3.972 0.972 1.474) 4.347 3.648 ( 1.691 1.833 -2.219) 3.338 3.828 ( -3.777 1.480 0.196) 4.061 3.869 ( 1.525 4.840 0.390) 5.089 3.917 ( -2.408 -0.560 -0.897) 2.630 4.012 ( 0.377 2.070 -0.719) 2.224 4.031 ( -0.514 2.442 0.165) 2.501 4.056 ( -0.196 0.049 -0.281) 0.346 4.122 ( -0.558 0.728 0.030) 0.918 4.222 ( -2.537 2.078 1.084) 3.453 5.088 ( 0.824 -0.051 -0.909) 1.228 5.597 ( 1.087 -2.812 -1.294) 3.281 5.633 ( 3.333 -2.444 0.360) 4.149 6.068 ( 0.129 2.202 -0.440) 2.249 6.129 ( -1.220 -1.421 1.426) 2.355 6.554 ( -0.014 -0.515 0.946) 1.077 8.429 ( 0.817 0.239 0.278) 0.895 8.482 ( 2.196 1.151 -0.507) 2.530 8.509 ( -1.143 -1.114 -0.549) 1.687 8.560 ( -1.125 -2.596 0.804) 2.941 12.178 ( 1.251 0.017 -0.766) 1.467 12.807 ( -0.062 -0.570 0.083) 0.579 12.914 ( -0.520 -0.051 0.409) 0.664 13.399 ( -1.928 -0.307 0.364) 1.986 13.664 ( -0.448 -0.296 0.028) 0.538 14.001 ( 3.009 0.874 -1.203) 3.356 15.765 ( -1.600 -0.628 1.126) 2.055 15.880 ( -0.746 0.100 0.733) 1.051 21.216 ( 1.017 0.846 -1.108) 1.725 21.803 ( -4.336 5.329 0.390) 6.882 21.943 ( 4.891 -0.753 -2.510) 5.549 22.690 ( -3.131 2.615 -1.430) 4.323 22.785 ( 0.401 1.147 0.120) 1.221 23.037 ( -9.728 6.808 3.772) 12.458 23.545 ( 20.236 -11.397 -7.652) 24.453 24.733 ( -1.649 5.494 -6.320) 8.534 25.114 ( -14.311 -4.666 17.458) 23.051 25.626 ( -2.729 6.039 2.904) 7.236 25.681 ( -0.564 -1.221 -2.902) 3.198 25.716 ( -4.577 1.921 5.278) 7.246 26.018 ( 11.126 -16.995 -5.323) 20.998 26.971 ( 1.496 14.305 2.642) 14.623 27.192 ( -0.542 -11.694 -3.371) 12.182 28.103 ( -4.766 5.823 -1.211) 7.622 28.224 ( 2.378 -0.646 2.097) 3.236 28.376 ( 6.377 -6.039 -3.100) 9.313 35.012 ( -17.051 17.452 -4.322) 24.779 35.437 ( 20.778 -9.255 3.241) 22.976 36.384 ( -11.542 1.824 -0.656) 11.704 36.537 ( 1.490 -11.371 5.236) 12.607 38.329 ( -6.770 5.326 -0.522) 8.630 38.416 ( 7.819 9.602 -2.318) 12.598 38.659 ( -2.376 -5.279 3.259) 6.644 38.835 ( -8.529 1.061 -2.847) 9.054 39.105 ( 15.732 -2.914 -3.304) 16.337 39.976 ( -0.229 -5.032 2.084) 5.451 44.581 ( -0.147 0.201 0.006) 0.249 45.261 ( -0.150 0.587 -0.060) 0.608 ======================= Grid point 178 (69/146) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -15.643 0.478 6.598) 16.984 3.226 ( 3.405 -3.632 -6.008) 7.802 3.416 ( 2.000 2.238 3.027) 4.263 3.634 ( -18.459 0.328 0.718) 18.476 3.670 ( -0.272 0.845 -1.719) 1.935 3.844 ( -5.212 -1.531 -2.313) 5.904 3.897 ( -2.625 1.608 2.148) 3.754 3.945 ( -13.968 1.796 -1.046) 14.122 4.015 ( -3.259 -0.843 0.829) 3.467 4.062 ( -0.793 -0.726 -1.042) 1.497 4.077 ( 0.183 -0.479 0.666) 0.841 4.182 ( -1.421 0.029 0.005) 1.422 5.105 ( 0.540 1.225 0.088) 1.342 5.653 ( 6.428 0.851 -0.738) 6.526 5.737 ( 9.920 0.186 -0.731) 9.948 6.077 ( -0.989 -0.156 -0.026) 1.002 6.120 ( 2.192 -1.266 0.893) 2.684 6.569 ( 2.614 -1.416 -0.088) 2.974 8.433 ( -0.898 -1.513 -1.072) 2.060 8.459 ( -3.130 1.155 0.006) 3.336 8.527 ( 2.821 0.591 0.476) 2.922 8.602 ( 6.277 -0.048 0.954) 6.349 12.206 ( 2.047 0.731 -0.753) 2.300 12.810 ( 0.783 -0.151 0.892) 1.196 12.910 ( 0.189 -0.242 -0.312) 0.438 13.344 ( -4.808 0.145 1.008) 4.915 13.654 ( -0.790 0.224 0.390) 0.909 14.072 ( 5.055 0.636 -1.846) 5.418 15.739 ( -1.015 -1.209 1.777) 2.377 15.862 ( -1.088 -0.745 -0.248) 1.342 21.229 ( -0.259 1.215 -0.848) 1.504 21.732 ( -7.179 0.244 0.162) 7.184 22.009 ( 2.649 1.826 -1.803) 3.688 22.608 ( -9.058 0.920 3.733) 9.841 22.781 ( -0.631 -0.489 -0.822) 1.145 22.925 ( -4.998 0.505 -2.829) 5.765 23.798 ( 11.734 6.066 -5.680) 14.379 24.682 ( -8.222 2.540 -1.423) 8.722 24.996 ( 3.102 -8.376 15.317) 17.731 25.538 ( -5.808 -6.823 -4.390) 9.978 25.580 ( 1.193 -8.844 -5.261) 10.359 25.747 ( 1.371 4.425 5.871) 7.479 26.217 ( 14.203 5.302 1.273) 15.213 27.021 ( -2.423 -14.411 -6.746) 16.096 27.150 ( 1.219 14.075 5.794) 15.270 28.031 ( -4.773 1.970 -0.938) 5.248 28.284 ( 3.588 -2.658 0.726) 4.524 28.512 ( 12.400 2.958 -1.898) 12.889 34.815 ( -17.636 5.603 0.993) 18.531 35.634 ( 10.077 -8.333 -6.127) 14.441 36.258 ( -6.766 3.606 5.548) 9.464 36.471 ( -1.510 -3.481 3.144) 4.927 38.171 ( -13.031 1.797 0.389) 13.160 38.497 ( -1.800 -4.405 -7.291) 8.707 38.648 ( -6.297 6.626 5.972) 10.919 38.801 ( 10.012 -1.556 0.470) 10.143 39.366 ( 16.795 3.209 -5.712) 18.028 40.015 ( 8.206 -2.842 2.497) 9.036 44.574 ( -0.833 0.005 0.018) 0.834 45.246 ( -1.962 0.015 -0.113) 1.965 ======================= Grid point 179 (70/146) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -18.970 3.026 11.860) 22.576 3.228 ( 2.347 -3.140 -5.353) 6.635 3.277 ( -26.159 3.216 2.306) 26.457 3.462 ( -0.854 1.937 1.614) 2.662 3.540 ( -21.885 1.175 1.938) 22.002 3.690 ( -7.959 0.811 -4.412) 9.136 3.716 ( -7.456 -0.200 -4.610) 8.768 3.866 ( -5.044 1.179 4.342) 6.760 3.957 ( -3.472 -0.915 1.145) 3.769 3.996 ( -5.613 2.139 -2.129) 6.373 4.100 ( 3.178 -3.076 -0.743) 4.485 4.182 ( 0.454 0.779 0.047) 0.903 5.124 ( -0.430 1.751 1.624) 2.426 5.793 ( 8.654 1.593 0.455) 8.811 5.907 ( 9.698 -0.046 -2.050) 9.913 6.060 ( 1.378 -2.494 -0.055) 2.850 6.168 ( 5.127 -1.773 -1.023) 5.520 6.611 ( 5.200 -2.542 -1.744) 6.045 8.371 ( -3.688 -0.783 -1.302) 3.988 8.424 ( -3.580 1.941 -0.379) 4.090 8.608 ( 5.831 0.041 1.576) 6.040 8.732 ( 8.926 -0.752 1.244) 9.043 12.250 ( 2.653 0.719 -0.922) 2.899 12.837 ( 1.942 -0.058 1.963) 2.762 12.913 ( 0.871 -0.540 -0.995) 1.428 13.260 ( -6.742 1.096 3.208) 7.546 13.648 ( -0.742 0.519 1.803) 2.017 14.155 ( 5.726 -0.132 -4.272) 7.146 15.723 ( -0.201 -1.384 2.114) 2.535 15.831 ( -1.318 -1.018 -1.027) 1.957 21.225 ( -1.436 1.521 -0.493) 2.149 21.585 ( -7.964 -4.047 0.153) 8.934 22.045 ( 0.163 2.030 -1.254) 2.392 22.497 ( -5.486 -0.015 5.530) 7.790 22.759 ( -2.261 0.886 -0.290) 2.446 22.858 ( -5.220 3.297 -1.306) 6.311 23.925 ( -4.445 12.954 -7.349) 15.543 24.537 ( -9.339 -2.686 4.554) 10.732 25.117 ( 12.673 -6.300 0.287) 14.156 25.423 ( 0.106 -5.395 2.300) 5.865 25.544 ( 10.816 -11.718 -2.231) 16.102 25.837 ( 3.275 2.807 2.805) 5.146 26.470 ( 4.969 7.466 3.346) 9.572 26.843 ( 1.501 -11.067 -8.351) 13.946 27.280 ( -1.578 8.547 5.712) 10.401 28.006 ( 0.174 1.257 -0.326) 1.310 28.308 ( 1.867 -1.520 -0.223) 2.418 28.776 ( 16.166 2.779 -1.069) 16.438 34.569 ( -13.800 -4.861 6.158) 15.874 35.595 ( -2.528 0.539 -15.331) 15.547 36.152 ( -11.813 -2.474 6.028) 13.491 36.522 ( 0.880 9.389 8.214) 12.506 38.004 ( -8.953 1.304 2.516) 9.391 38.332 ( -5.315 -6.722 -5.706) 10.295 38.652 ( -4.411 6.170 4.805) 8.978 38.954 ( 10.859 -5.035 -3.929) 12.598 39.665 ( 17.625 3.851 -5.659) 18.908 40.190 ( 15.039 -3.204 2.768) 15.624 44.555 ( -1.534 0.141 0.021) 1.541 45.198 ( -3.877 0.314 -0.251) 3.898 ======================= Grid point 185 (71/146) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 0.000 13.071 21.088) 24.811 3.122 ( -0.000 25.862 5.742) 26.492 3.249 ( -0.000 0.895 -2.449) 2.608 3.332 ( -0.000 -3.912 -5.072) 6.405 3.475 ( -0.000 8.673 -5.691) 10.373 3.500 ( -0.000 16.186 -6.917) 17.602 3.553 ( -0.000 21.835 6.473) 22.774 3.768 ( -0.000 5.817 -5.770) 8.193 3.873 ( 0.000 -0.423 3.482) 3.507 4.054 ( -0.000 4.266 0.079) 4.266 4.073 ( 0.000 -4.774 -1.087) 4.896 4.172 ( -0.000 1.226 0.131) 1.232 5.085 ( 0.000 -2.847 1.194) 3.087 5.775 ( 0.000 -7.451 -0.033) 7.451 5.918 ( 0.000 -7.538 -0.538) 7.557 6.135 ( -0.000 -1.966 -0.743) 2.101 6.218 ( -0.000 -3.506 -2.203) 4.141 6.693 ( -0.000 -1.794 -3.125) 3.603 8.341 ( -0.000 4.140 -1.068) 4.276 8.387 ( -0.000 5.279 -0.610) 5.314 8.684 ( 0.000 -7.711 2.020) 7.971 8.821 ( 0.000 -9.264 1.368) 9.364 12.204 ( 0.000 -3.856 -0.402) 3.877 12.849 ( 0.000 -2.042 -0.559) 2.117 12.962 ( 0.000 -0.474 1.393) 1.471 13.310 ( 0.000 2.337 5.960) 6.402 13.703 ( 0.000 -3.401 3.337) 4.765 14.011 ( -0.000 -1.537 -7.227) 7.389 15.843 ( -0.000 1.599 -1.024) 1.899 15.858 ( 0.000 2.702 1.184) 2.950 21.079 ( 0.000 -0.785 0.028) 0.786 21.414 ( -0.000 1.077 0.058) 1.079 21.958 ( 0.000 -2.881 0.523) 2.928 22.542 ( 0.000 0.388 1.258) 1.316 22.568 ( 0.000 -3.527 6.456) 7.356 22.758 ( -0.000 2.493 -0.536) 2.550 23.638 ( -0.000 20.819 -5.391) 21.506 24.503 ( -0.000 5.391 -1.918) 5.722 25.428 ( 0.000 1.684 1.749) 2.428 25.595 ( -0.000 -2.240 -8.359) 8.653 25.826 ( 0.000 -9.428 6.406) 11.399 26.231 ( -0.000 -5.574 -2.208) 5.995 26.680 ( 0.000 -0.563 17.409) 17.418 26.958 ( -0.000 1.949 -15.257) 15.381 27.190 ( 0.000 -2.992 2.072) 3.639 27.648 ( 0.000 0.806 3.550) 3.640 28.474 ( 0.000 -12.882 -4.120) 13.525 28.754 ( 0.000 -13.061 1.421) 13.138 34.023 ( 0.000 -1.424 4.781) 4.989 36.037 ( -0.000 2.248 -8.611) 8.900 36.130 ( -0.000 20.068 -3.514) 20.373 36.917 ( 0.000 22.456 14.577) 26.772 37.687 ( 0.000 -2.381 5.248) 5.762 38.235 ( -0.000 -0.768 -1.328) 1.534 38.328 ( -0.000 -2.946 -6.159) 6.827 39.145 ( -0.000 5.894 -8.420) 10.277 39.425 ( 0.000 -26.772 3.709) 27.028 40.595 ( 0.000 -14.593 -0.356) 14.597 44.542 ( -0.000 1.691 -0.023) 1.691 45.160 ( -0.000 4.638 -0.288) 4.647 ======================= Grid point 186 (72/146) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 2.703 10.515 17.061) 20.222 3.219 ( 0.590 -4.764 -6.357) 7.966 3.276 ( -1.189 -2.622 -2.130) 3.582 3.411 ( 5.706 20.385 3.903) 21.526 3.539 ( 1.257 5.608 -4.344) 7.205 3.645 ( 2.553 13.054 -4.575) 14.066 3.770 ( 2.939 12.343 4.001) 13.304 3.850 ( 3.634 8.850 -2.934) 10.007 3.885 ( 1.855 -2.170 2.273) 3.649 4.032 ( 1.637 -5.751 -0.720) 6.023 4.079 ( -0.579 2.747 -1.485) 3.176 4.190 ( -0.599 3.185 0.898) 3.363 5.067 ( 0.389 -2.258 0.824) 2.435 5.709 ( -0.414 -6.121 0.661) 6.171 5.819 ( -2.862 -7.719 -0.388) 8.242 6.107 ( -1.203 -0.879 -1.378) 2.030 6.183 ( -0.410 -1.629 -0.874) 1.893 6.657 ( -1.743 -0.692 -2.319) 2.983 8.383 ( 0.783 4.081 -1.242) 4.337 8.432 ( -0.478 4.869 -0.502) 4.918 8.609 ( -1.299 -6.730 1.654) 7.050 8.727 ( -1.521 -8.396 1.242) 8.623 12.171 ( -0.119 -2.357 -0.046) 2.361 12.831 ( -0.121 -1.389 -0.292) 1.425 12.956 ( -0.602 -0.394 0.590) 0.930 13.353 ( 1.229 0.896 4.032) 4.309 13.682 ( -0.226 -2.408 1.809) 3.020 13.980 ( -0.291 -0.195 -4.396) 4.410 15.844 ( -1.071 1.169 -1.166) 1.968 15.883 ( 0.075 1.671 0.605) 1.778 21.099 ( 2.641 -0.328 0.488) 2.706 21.478 ( 6.594 1.169 0.026) 6.697 21.932 ( -0.325 -2.148 0.522) 2.234 22.562 ( 2.408 -1.925 0.923) 3.218 22.611 ( 6.238 -0.974 4.251) 7.611 22.781 ( 0.334 2.467 0.498) 2.539 23.755 ( -6.985 15.157 -1.744) 16.779 24.576 ( 3.921 4.669 -2.763) 6.694 25.442 ( 0.127 -0.265 -0.092) 0.308 25.536 ( 2.594 -5.528 -7.974) 10.044 25.720 ( -7.977 -1.892 6.275) 10.324 26.213 ( 2.366 -5.083 -1.473) 5.797 26.521 ( -19.320 -3.089 8.856) 21.476 26.917 ( -2.718 5.438 -15.980) 17.097 27.203 ( 2.118 -3.585 7.877) 8.910 27.744 ( 8.048 1.285 3.316) 8.799 28.341 ( 0.502 -12.002 -3.236) 12.440 28.620 ( -5.762 -6.209 1.890) 8.679 34.158 ( 15.717 -1.641 4.432) 16.412 35.932 ( -12.719 13.281 -11.456) 21.665 36.292 ( 3.104 0.724 2.461) 4.027 37.056 ( -11.573 15.458 8.969) 21.292 37.792 ( 11.127 3.341 4.000) 12.287 38.231 ( 1.402 -0.326 -6.309) 6.471 38.359 ( 10.074 -4.607 1.179) 11.140 39.132 ( -0.707 -4.099 -9.233) 10.127 39.197 ( -6.073 -11.274 7.238) 14.710 40.415 ( -6.931 -10.004 -1.069) 12.217 44.559 ( 0.363 1.123 -0.004) 1.180 45.203 ( 0.770 3.106 -0.179) 3.205 ======================= Grid point 187 (73/146) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 1.795 -1.446 -1.480) 2.739 3.173 ( 2.815 0.859 2.627) 3.944 3.223 ( -2.724 -0.244 3.026) 4.079 3.588 ( 1.598 2.960 -2.870) 4.422 3.690 ( 6.681 12.865 1.930) 14.624 3.782 ( 3.314 7.127 -2.217) 8.166 3.875 ( 3.408 -2.048 0.920) 4.081 3.930 ( 3.434 2.023 1.152) 4.148 3.995 ( 4.332 4.835 0.181) 6.494 4.017 ( 2.554 -4.310 -0.423) 5.028 4.091 ( 0.538 2.009 -1.190) 2.396 4.215 ( -0.360 3.405 0.083) 3.425 5.063 ( 0.687 -0.992 0.511) 1.310 5.650 ( -1.564 -3.688 1.039) 4.138 5.691 ( -4.663 -4.815 0.069) 6.703 6.080 ( -0.990 0.580 -1.725) 2.072 6.166 ( -0.470 -0.578 -0.156) 0.761 6.611 ( -2.524 -0.149 -1.151) 2.778 8.428 ( 0.674 3.008 -1.242) 3.324 8.455 ( -1.299 3.616 -0.134) 3.844 8.537 ( -1.083 -4.725 1.131) 4.977 8.632 ( -1.995 -5.489 0.708) 5.883 12.157 ( 0.153 -0.722 0.279) 0.789 12.817 ( -0.331 -0.568 -0.068) 0.661 12.940 ( -0.830 -0.445 -0.103) 0.947 13.389 ( 1.554 -0.483 1.731) 2.376 13.667 ( 0.014 -1.210 0.734) 1.415 13.970 ( -0.233 1.061 -1.548) 1.891 15.824 ( -1.756 0.436 -1.234) 2.190 15.894 ( -0.119 0.357 0.253) 0.453 21.149 ( 2.903 0.274 0.653) 2.989 21.640 ( 10.692 1.645 0.132) 10.819 21.910 ( -0.980 -0.708 0.600) 1.350 22.604 ( 4.351 -1.304 0.407) 4.561 22.736 ( 5.672 0.042 0.365) 5.684 22.859 ( 8.672 2.517 2.842) 9.467 23.650 ( -16.563 4.012 1.102) 17.078 24.681 ( 4.658 3.462 -4.149) 7.134 25.463 ( 6.209 -2.351 -6.558) 9.332 25.533 ( 0.123 0.651 -1.904) 2.016 25.603 ( -5.711 -0.413 6.914) 8.977 26.071 ( -14.646 -7.688 -1.881) 16.648 26.215 ( -13.783 -1.581 2.719) 14.137 26.907 ( 0.869 8.209 -11.200) 13.914 27.200 ( -0.531 -6.665 8.973) 11.190 27.924 ( 9.615 2.863 1.546) 10.151 28.256 ( 1.374 -7.049 -1.258) 7.291 28.467 ( -8.853 -1.769 1.356) 9.129 34.503 ( 25.417 -1.526 3.798) 25.744 35.771 ( -20.260 15.285 -9.284) 27.024 36.317 ( 5.924 -9.782 4.847) 12.421 36.912 ( -16.738 2.977 0.778) 17.018 38.088 ( 12.729 11.106 2.507) 17.078 38.253 ( 5.065 -1.707 -3.825) 6.572 38.548 ( 15.386 -2.900 2.335) 15.830 38.940 ( -7.643 -11.321 1.049) 13.700 39.109 ( -5.991 3.618 -0.969) 7.065 40.195 ( -10.007 -5.214 -1.060) 11.334 44.574 ( 0.437 0.485 0.004) 0.653 45.239 ( 0.981 1.397 -0.050) 1.707 ======================= Grid point 188 (74/146) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 3.949 -7.608 -9.646) 12.905 3.120 ( -7.287 -0.018 3.440) 8.058 3.324 ( 3.165 4.712 6.968) 8.987 3.630 ( 1.714 1.678 -1.073) 2.627 3.832 ( 3.014 -1.508 -0.088) 3.372 3.880 ( 3.256 4.510 -0.767) 5.615 3.898 ( 1.879 -3.496 0.933) 4.077 3.996 ( 2.717 0.308 0.508) 2.782 4.034 ( 1.585 0.362 -0.088) 1.628 4.054 ( 0.661 0.118 0.017) 0.672 4.122 ( 1.130 -0.036 -0.002) 1.130 4.241 ( 1.226 -0.559 -0.610) 1.479 5.075 ( 0.931 0.592 0.359) 1.160 5.588 ( -2.289 -0.681 -0.782) 2.512 5.619 ( -2.184 0.992 1.704) 2.943 6.077 ( 0.171 0.992 -0.885) 1.340 6.144 ( -1.489 -0.955 -0.099) 1.772 6.568 ( -2.050 -0.301 -0.356) 2.103 8.432 ( -0.935 0.268 -0.051) 0.974 8.478 ( 0.127 2.295 0.082) 2.300 8.500 ( 0.492 -1.852 0.178) 1.925 8.571 ( -1.995 -0.980 -0.234) 2.235 12.164 ( 0.617 0.575 0.415) 0.940 12.809 ( -0.412 0.143 -0.043) 0.438 12.922 ( -0.687 -0.553 -0.292) 0.929 13.403 ( 0.731 -1.095 -0.034) 1.317 13.663 ( 0.202 -0.339 0.119) 0.412 13.983 ( 0.477 1.746 0.418) 1.858 15.789 ( -1.896 -0.430 -0.937) 2.158 15.888 ( -0.443 -0.778 -0.064) 0.898 21.197 ( 2.087 0.710 0.583) 2.280 21.818 ( 8.614 -1.300 -0.873) 8.755 21.893 ( -1.818 2.822 1.938) 3.876 22.677 ( 4.562 0.644 0.126) 4.609 22.783 ( 0.940 0.305 0.126) 0.996 23.110 ( 16.877 -8.960 -3.697) 19.462 23.381 ( -16.729 10.383 7.334) 21.011 24.744 ( 1.890 1.680 -5.082) 5.677 25.356 ( -11.133 -6.121 1.465) 12.789 25.580 ( -1.956 -5.217 -3.936) 6.822 25.651 ( 10.253 -0.845 -0.935) 10.330 25.785 ( -6.218 -1.088 1.715) 6.542 25.984 ( -14.034 4.118 -0.536) 14.635 27.033 ( 5.430 10.977 -3.334) 12.692 27.114 ( -3.053 -9.802 3.929) 10.993 28.090 ( 8.150 -1.057 0.059) 8.219 28.257 ( 0.838 1.629 -0.850) 2.019 28.315 ( -7.636 1.042 2.105) 7.989 34.942 ( 27.548 -2.424 2.016) 27.728 35.493 ( -23.158 6.717 -1.777) 24.178 36.364 ( 7.221 -5.240 0.900) 8.968 36.633 ( -15.218 -2.652 -3.132) 15.761 38.335 ( 7.924 -3.228 0.331) 8.562 38.362 ( 7.344 7.251 1.051) 10.374 38.708 ( -9.741 -3.031 -0.809) 10.233 38.803 ( 15.510 -2.520 -0.088) 15.714 39.036 ( -8.174 6.412 2.639) 10.719 40.011 ( -7.397 -1.222 -1.048) 7.571 44.582 ( 0.241 -0.012 -0.007) 0.242 45.260 ( 0.661 0.085 0.038) 0.668 ======================= Grid point 189 (75/146) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -10.746 1.340 6.440) 12.599 3.075 ( 5.646 -7.345 -9.333) 13.150 3.419 ( 1.969 3.037 2.974) 4.685 3.664 ( 1.051 0.719 -0.229) 1.294 3.826 ( -2.193 -2.475 -0.051) 3.307 3.864 ( -1.015 -3.414 -0.076) 3.562 3.931 ( -0.383 0.501 0.317) 0.706 4.018 ( -0.043 -1.585 0.169) 1.594 4.024 ( -0.987 -1.839 -0.397) 2.124 4.066 ( 0.066 0.288 0.365) 0.470 4.121 ( -0.373 -0.561 -0.015) 0.674 4.204 ( -2.855 -4.192 -0.407) 5.088 5.106 ( 1.149 1.797 0.458) 2.182 5.598 ( 2.074 3.473 -0.533) 4.080 5.641 ( 2.295 3.080 0.610) 3.890 6.088 ( 0.258 -2.205 1.094) 2.475 6.099 ( -1.831 0.122 -1.230) 2.209 6.538 ( -0.628 -1.075 -0.370) 1.299 8.424 ( -0.013 -0.551 -0.133) 0.567 8.499 ( 1.198 0.200 0.836) 1.474 8.512 ( 0.429 1.336 -0.358) 1.448 8.545 ( -0.515 1.221 -0.347) 1.370 12.189 ( 1.105 1.271 0.220) 1.698 12.807 ( -0.037 0.456 0.064) 0.462 12.907 ( -0.364 -0.656 -0.209) 0.779 13.393 ( -0.926 -0.656 -0.155) 1.146 13.664 ( -0.062 0.153 0.009) 0.166 14.020 ( 1.826 1.511 0.385) 2.401 15.751 ( -1.478 -1.173 -0.218) 1.899 15.866 ( -0.776 -1.383 -0.317) 1.617 21.232 ( 1.015 1.014 0.322) 1.471 21.801 ( -3.265 -5.149 0.006) 6.097 21.978 ( 3.541 4.041 0.654) 5.412 22.740 ( -4.255 -1.154 3.024) 5.346 22.767 ( 1.919 -1.004 -1.983) 2.937 22.961 ( -4.587 -8.365 -2.089) 9.766 23.669 ( 15.661 20.849 3.037) 26.253 24.750 ( -0.040 0.628 -4.741) 4.782 25.073 ( -14.130 -10.995 11.615) 21.341 25.371 ( -3.949 -13.253 -13.492) 19.320 25.646 ( -5.852 -10.027 -0.243) 11.612 25.759 ( 2.194 4.897 0.860) 5.434 26.122 ( 10.270 19.095 2.404) 21.815 26.935 ( -5.495 -13.492 -0.676) 14.583 27.237 ( 5.245 11.789 0.825) 12.930 28.124 ( -3.843 -6.127 0.474) 7.248 28.191 ( 1.639 1.945 -0.662) 2.628 28.417 ( 5.845 8.724 0.744) 10.527 35.081 ( -11.612 -14.984 1.532) 19.019 35.387 ( 10.566 9.139 -1.084) 14.012 36.388 ( -5.611 -4.576 -0.041) 7.240 36.463 ( 2.050 5.761 -1.403) 6.273 38.372 ( -8.695 -3.124 3.134) 9.756 38.409 ( 5.215 -8.432 -2.647) 10.262 38.618 ( 0.679 4.368 -0.593) 4.460 38.882 ( -3.579 -1.212 1.028) 3.916 39.148 ( 10.659 10.576 0.757) 15.034 39.944 ( -0.303 1.320 -0.643) 1.499 44.581 ( -0.129 -0.206 0.000) 0.243 45.262 ( -0.223 -0.483 0.014) 0.532 ======================= Grid point 190 (76/146) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( -13.621 3.286 10.144) 17.298 3.082 ( 6.508 -6.239 -7.896) 11.985 3.471 ( 1.006 1.799 0.840) 2.226 3.662 ( -6.564 0.830 -0.009) 6.617 3.682 ( -10.542 2.231 0.426) 10.784 3.794 ( -4.395 -2.036 -1.693) 5.131 3.914 ( -2.605 -1.160 0.570) 2.908 3.969 ( -3.572 -2.956 0.864) 4.716 3.990 ( -7.919 -1.129 0.245) 8.003 4.004 ( 0.684 -2.319 -0.382) 2.448 4.082 ( -3.023 1.818 -1.882) 3.998 4.166 ( 2.269 -2.108 0.970) 3.245 5.144 ( 0.759 2.124 0.646) 2.347 5.697 ( 5.374 3.671 0.274) 6.514 5.751 ( 7.521 1.942 -0.787) 7.808 6.031 ( -1.394 -3.628 -0.471) 3.915 6.106 ( 1.218 -0.858 0.043) 1.490 6.527 ( 1.441 -2.079 -0.866) 2.674 8.405 ( -1.649 -0.662 -0.823) 1.958 8.500 ( -2.879 3.199 -0.915) 4.400 8.543 ( 2.655 0.552 0.927) 2.866 8.602 ( 6.148 -0.826 1.315) 6.341 12.223 ( 1.493 1.233 -0.340) 1.966 12.819 ( 0.883 0.274 0.765) 1.199 12.897 ( 0.071 -0.729 -0.399) 0.834 13.361 ( -3.026 0.475 1.427) 3.379 13.665 ( -0.232 0.393 0.586) 0.743 14.069 ( 3.076 0.531 -1.837) 3.622 15.721 ( -0.653 -1.533 0.870) 1.880 15.837 ( -1.023 -1.292 -0.468) 1.713 21.251 ( -0.133 1.226 -0.157) 1.243 21.650 ( -6.770 -8.102 0.091) 10.558 22.051 ( 1.455 2.834 -0.550) 3.233 22.578 ( -5.521 -5.762 2.091) 8.249 22.821 ( -0.648 5.560 1.638) 5.832 22.910 ( -0.048 0.326 -2.438) 2.460 24.080 ( 5.389 21.943 -2.430) 22.725 24.687 ( -9.164 -1.503 1.041) 9.344 24.883 ( 4.966 -11.210 3.652) 12.793 25.189 ( 4.060 -13.969 -3.225) 14.900 25.489 ( -4.059 -5.341 0.136) 6.710 25.843 ( 1.958 4.116 0.933) 4.652 26.486 ( 8.681 16.458 3.662) 18.964 26.699 ( -3.190 -14.413 -5.448) 15.736 27.386 ( 0.173 6.333 2.251) 6.723 28.020 ( -2.231 -2.318 0.450) 3.249 28.253 ( 3.348 0.945 -1.048) 3.633 28.612 ( 8.664 6.559 -0.100) 10.867 34.722 ( -13.305 -15.058 4.026) 20.493 35.546 ( 2.754 2.502 -8.149) 8.958 36.326 ( -3.772 4.191 2.763) 6.280 36.593 ( 4.036 9.553 3.565) 10.966 38.177 ( -10.705 -2.505 3.485) 11.533 38.312 ( -3.500 -9.649 -5.492) 11.641 38.709 ( 6.926 -1.847 2.129) 7.478 38.825 ( -3.821 2.066 0.010) 4.344 39.434 ( 13.242 7.382 -3.019) 15.459 40.009 ( 6.252 0.943 0.711) 6.363 44.574 ( -0.629 -0.069 0.014) 0.633 45.243 ( -1.567 -0.214 -0.105) 1.585 ======================= Grid point 197 (77/146) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 0.000 2.363 6.578) 6.989 3.112 ( -0.000 -3.089 -3.387) 4.584 3.284 ( 0.000 0.033 1.838) 1.838 3.549 ( -0.000 15.341 2.622) 15.564 3.561 ( -0.000 3.656 -3.117) 4.804 3.720 ( -0.000 8.114 -2.534) 8.501 3.829 ( -0.000 4.201 1.178) 4.363 3.841 ( 0.000 -3.076 0.607) 3.135 3.900 ( -0.000 7.182 0.149) 7.184 3.954 ( 0.000 -6.903 -0.113) 6.904 4.100 ( -0.000 1.806 -1.459) 2.321 4.230 ( -0.000 2.853 0.274) 2.866 5.050 ( 0.000 -1.421 1.435) 2.019 5.669 ( 0.000 -3.320 0.984) 3.463 5.783 ( 0.000 -4.755 0.419) 4.773 6.105 ( -0.000 -0.429 -1.503) 1.563 6.169 ( -0.000 -0.812 -0.991) 1.281 6.661 ( -0.000 0.286 -2.652) 2.668 8.412 ( -0.000 4.066 -1.385) 4.295 8.484 ( -0.000 5.043 -0.347) 5.055 8.565 ( 0.000 -5.708 1.529) 5.910 8.667 ( 0.000 -7.126 0.948) 7.189 12.157 ( 0.000 -1.115 0.815) 1.381 12.822 ( 0.000 -0.588 0.315) 0.668 12.956 ( -0.000 -0.546 -0.720) 0.904 13.356 ( 0.000 -0.544 2.466) 2.526 13.668 ( 0.000 -1.773 1.057) 2.064 13.977 ( -0.000 1.140 -1.765) 2.101 15.860 ( -0.000 0.813 -0.953) 1.253 15.892 ( -0.000 0.642 -1.463) 1.598 21.075 ( 0.000 -0.222 1.737) 1.751 21.427 ( -0.000 0.335 -0.006) 0.335 21.923 ( 0.000 -1.271 2.104) 2.458 22.545 ( 0.000 -2.409 5.348) 5.866 22.547 ( -0.000 -0.163 -0.223) 0.276 22.796 ( 0.000 1.151 0.907) 1.465 23.957 ( -0.000 11.253 2.129) 11.453 24.564 ( -0.000 2.585 -3.447) 4.309 25.408 ( -0.000 -5.063 -10.240) 11.423 25.455 ( -0.000 0.253 -0.462) 0.526 25.800 ( 0.000 -1.131 4.195) 4.345 26.151 ( 0.000 -1.646 0.630) 1.762 26.643 ( -0.000 -6.463 -11.531) 13.218 27.000 ( -0.000 7.761 -0.463) 7.775 27.156 ( 0.000 -1.741 1.605) 2.367 27.686 ( 0.000 -0.967 6.424) 6.496 28.243 ( 0.000 -6.146 0.618) 6.177 28.628 ( 0.000 -3.337 1.839) 3.810 34.024 ( 0.000 -1.614 4.291) 4.585 36.028 ( -0.000 2.781 -8.222) 8.680 36.377 ( -0.000 7.835 -0.801) 7.876 37.337 ( -0.000 9.857 1.182) 9.928 37.679 ( 0.000 -2.065 4.982) 5.393 38.205 ( 0.000 -3.751 1.125) 3.916 38.219 ( -0.000 0.005 -1.176) 1.176 39.038 ( 0.000 -8.110 -2.256) 8.418 39.237 ( 0.000 0.315 3.810) 3.823 40.395 ( -0.000 -5.040 -2.457) 5.607 44.564 ( -0.000 0.609 0.004) 0.609 45.220 ( -0.000 1.748 -0.063) 1.750 ======================= Grid point 198 (78/146) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 2.215 -11.436 -11.640) 16.468 3.217 ( 0.962 5.175 6.626) 8.462 3.287 ( -1.379 1.850 5.881) 6.317 3.586 ( 0.738 2.011 -1.448) 2.586 3.679 ( 4.977 -3.142 0.599) 5.916 3.746 ( 1.501 1.499 0.074) 2.122 3.852 ( 0.672 1.771 0.169) 1.902 3.890 ( 2.625 1.246 0.053) 2.907 3.919 ( 3.359 -2.677 0.168) 4.299 3.964 ( 2.919 0.359 0.749) 3.035 4.109 ( -0.362 1.546 -0.286) 1.614 4.232 ( -0.464 -1.299 -1.436) 1.991 5.051 ( 0.431 -0.154 1.601) 1.666 5.653 ( -0.688 -0.153 1.375) 1.545 5.739 ( -2.989 0.570 1.182) 3.264 6.093 ( -0.711 0.458 -1.869) 2.052 6.164 ( -0.009 0.145 -0.878) 0.890 6.645 ( -1.689 0.940 -2.164) 2.902 8.443 ( 0.543 1.886 -1.209) 2.306 8.508 ( -1.312 1.416 0.462) 1.985 8.519 ( -1.090 -2.355 1.057) 2.802 8.616 ( -0.670 -1.581 -0.116) 1.721 12.157 ( 0.006 0.326 1.422) 1.458 12.821 ( -0.208 0.267 0.652) 0.734 12.942 ( -0.401 -0.637 -1.669) 1.831 13.358 ( 1.115 -1.997 0.650) 2.378 13.658 ( 0.051 -0.873 0.320) 0.931 13.990 ( -0.293 2.445 0.809) 2.592 15.848 ( -1.424 0.215 -1.820) 2.321 15.889 ( 0.337 -0.551 -1.696) 1.815 21.107 ( 2.734 0.166 2.396) 3.639 21.490 ( 7.285 0.002 0.088) 7.285 21.924 ( -0.211 0.180 2.785) 2.799 22.542 ( 1.815 -0.888 0.596) 2.106 22.616 ( 6.659 -0.959 3.208) 7.453 22.814 ( 1.088 -0.019 1.681) 2.003 23.939 ( -10.849 1.513 5.324) 12.179 24.605 ( 4.348 0.733 -4.353) 6.196 25.361 ( 0.801 1.173 -10.468) 10.564 25.479 ( 3.096 0.020 -2.542) 4.006 25.733 ( -6.501 -1.535 4.069) 7.821 26.147 ( -2.888 -0.194 -3.847) 4.814 26.435 ( -10.804 -5.045 -7.392) 14.030 26.959 ( -5.306 7.113 -9.452) 12.964 27.200 ( 0.407 -3.367 9.798) 10.368 27.773 ( 8.886 -1.512 3.651) 9.725 28.232 ( -0.145 2.501 3.534) 4.332 28.574 ( -4.869 -0.600 1.556) 5.147 34.154 ( 15.521 -1.697 3.832) 16.077 36.053 ( 1.002 7.498 -10.529) 12.965 36.289 ( -12.877 -3.829 4.909) 14.303 37.163 ( -15.225 -6.263 -6.700) 17.774 37.869 ( 17.244 -2.963 1.530) 17.564 38.224 ( 1.656 7.151 3.907) 8.315 38.322 ( 9.677 -1.055 3.069) 10.207 38.967 ( -3.159 -0.822 -0.957) 3.402 39.226 ( -3.610 1.740 4.356) 5.918 40.306 ( -6.723 0.182 -2.943) 7.342 44.570 ( 0.289 0.001 0.011) 0.289 45.234 ( 0.565 0.115 0.060) 0.580 ======================= Grid point 199 (79/146) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 4.919 -12.169 -12.215) 17.931 3.226 ( -3.652 0.728 3.289) 4.969 3.354 ( 1.473 4.514 5.891) 7.566 3.616 ( 1.603 0.590 0.632) 1.821 3.660 ( 6.884 -15.064 -0.820) 16.582 3.823 ( 3.405 -2.148 1.527) 4.306 3.864 ( 2.651 -0.677 -0.053) 2.736 3.915 ( 4.201 -5.493 -0.047) 6.916 3.998 ( 4.008 -2.634 0.359) 4.809 4.021 ( 2.863 4.289 0.035) 5.158 4.107 ( -0.376 -1.493 0.491) 1.616 4.196 ( 0.325 -3.459 -1.703) 3.869 5.071 ( 0.859 0.992 1.167) 1.756 5.643 ( -2.604 3.039 0.717) 4.066 5.717 ( -4.040 6.007 2.109) 7.540 6.083 ( -0.462 0.759 -1.420) 1.675 6.158 ( -0.943 0.392 -0.912) 1.369 6.611 ( -2.847 1.131 -1.168) 3.278 8.446 ( 0.322 -1.681 0.171) 1.720 8.469 ( -1.148 -3.718 1.156) 4.059 8.516 ( -0.855 3.663 -0.527) 3.799 8.613 ( -1.871 4.326 -1.125) 4.846 12.172 ( 0.093 1.483 1.580) 2.168 12.822 ( -0.578 0.940 0.179) 1.118 12.923 ( -0.466 -0.569 -1.374) 1.558 13.359 ( 1.883 -2.970 -1.019) 3.661 13.655 ( 0.300 -0.252 -0.280) 0.481 14.016 ( -0.673 3.367 2.697) 4.366 15.810 ( -1.896 -0.578 -2.831) 3.456 15.879 ( 0.031 -1.385 -0.747) 1.574 21.166 ( 2.837 0.406 2.227) 3.629 21.640 ( 10.450 -1.703 0.129) 10.589 21.939 ( -0.261 1.981 3.169) 3.746 22.589 ( 4.948 -0.859 -1.559) 5.259 22.742 ( 6.257 -0.007 1.280) 6.386 22.848 ( 5.383 -4.420 2.213) 7.308 23.735 ( -14.374 0.884 9.027) 16.996 24.669 ( 5.053 -1.424 -4.958) 7.221 25.333 ( -1.989 -1.526 -13.495) 13.726 25.526 ( 3.640 -0.583 -2.266) 4.327 25.655 ( -3.566 0.144 6.036) 7.012 25.943 ( -14.431 -0.807 -12.276) 18.963 26.241 ( -10.740 2.672 4.023) 11.776 27.005 ( 5.598 9.176 -9.528) 14.364 27.133 ( -5.770 -7.354 10.122) 13.778 27.920 ( 9.353 -2.800 1.477) 9.874 28.300 ( 0.041 8.362 1.580) 8.510 28.477 ( -8.066 2.547 2.871) 8.932 34.490 ( 24.691 -2.156 2.533) 24.914 35.907 ( -22.966 -1.233 1.663) 23.060 36.200 ( 8.282 -0.071 -4.110) 9.246 36.802 ( -14.241 -10.343 -8.650) 19.612 38.070 ( 13.726 -8.856 0.660) 16.348 38.381 ( 2.535 7.321 7.507) 10.788 38.506 ( 14.531 -1.828 -1.539) 14.726 38.897 ( -8.243 6.192 -2.139) 10.529 39.213 ( -3.977 6.344 7.847) 10.846 40.171 ( -10.478 4.173 -3.409) 11.782 44.573 ( 0.423 -0.502 -0.013) 0.657 45.241 ( 0.962 -1.191 0.162) 1.539 ======================= Grid point 200 (80/146) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 7.628 -11.685 -11.713) 18.219 3.166 ( -6.380 1.284 5.427) 8.474 3.427 ( 1.515 2.985 1.515) 3.674 3.645 ( 9.308 -15.084 -1.333) 17.775 3.650 ( 1.673 -0.222 1.842) 2.498 3.819 ( 1.993 -6.407 2.497) 7.159 3.918 ( 2.472 -2.111 -1.807) 3.719 3.936 ( 7.924 -7.926 0.456) 11.217 4.021 ( 1.509 -3.348 -0.213) 3.679 4.051 ( -0.278 -1.639 1.105) 1.997 4.085 ( -1.054 -1.156 -0.955) 1.832 4.182 ( 1.009 -1.621 -0.043) 1.910 5.104 ( 1.300 1.689 0.344) 2.158 5.647 ( -2.058 6.307 0.219) 6.638 5.725 ( -4.141 8.229 1.686) 9.365 6.076 ( -0.511 -1.004 0.204) 1.145 6.131 ( -2.251 0.679 -1.188) 2.634 6.568 ( -3.154 0.848 -0.080) 3.267 8.423 ( -0.693 -2.170 0.939) 2.464 8.455 ( 2.361 -1.944 0.862) 3.177 8.534 ( -0.932 3.456 -1.004) 3.718 8.615 ( -3.176 5.498 -1.394) 6.501 12.196 ( 0.217 2.049 1.205) 2.387 12.820 ( -0.715 1.158 -0.826) 1.592 12.909 ( -0.519 -0.384 -0.095) 0.652 13.358 ( 2.230 -3.117 -1.874) 4.266 13.659 ( 0.478 -0.035 -0.647) 0.805 14.046 ( -1.023 3.585 3.204) 4.915 15.762 ( -1.693 -1.166 -2.527) 3.258 15.860 ( -0.362 -1.744 0.041) 1.782 21.217 ( 2.053 0.479 1.418) 2.541 21.734 ( 4.001 -6.248 -0.252) 7.424 21.984 ( 1.406 3.531 2.979) 4.829 22.657 ( 5.744 -4.536 -5.542) 9.180 22.768 ( -0.992 -1.699 1.816) 2.677 22.896 ( 3.946 -5.629 2.223) 7.225 23.718 ( 3.524 13.136 9.673) 16.690 24.697 ( 3.241 -3.688 -3.581) 6.077 25.148 ( -9.227 -6.503 -12.645) 16.951 25.485 ( -16.530 -3.414 1.861) 16.981 25.565 ( 1.702 -5.543 0.087) 5.799 25.792 ( -1.007 2.723 -3.248) 4.357 26.228 ( 0.001 16.038 -0.486) 16.045 26.954 ( -9.132 -10.411 6.620) 15.350 27.204 ( 9.319 8.810 -4.766) 13.681 28.020 ( 5.457 -3.403 1.147) 6.533 28.293 ( -6.020 1.247 -1.050) 6.237 28.485 ( -1.134 12.927 3.366) 13.406 34.831 ( 17.252 -9.459 -2.067) 19.783 35.554 ( -14.499 -1.983 9.342) 17.362 36.330 ( 5.573 0.670 -8.219) 9.953 36.515 ( -5.316 -3.483 -5.383) 8.328 38.174 ( 9.622 -9.961 -0.166) 13.851 38.422 ( -1.699 -4.477 7.204) 8.650 38.706 ( 10.067 -1.331 -5.290) 11.450 38.809 ( -8.250 7.122 -1.077) 10.952 39.288 ( -2.994 15.109 9.302) 17.994 40.046 ( -8.405 6.212 -3.450) 11.006 44.574 ( 0.418 -0.714 -0.026) 0.828 45.244 ( 1.045 -1.751 0.182) 2.047 ======================= Grid point 209 (81/146) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( -0.000 -14.423 -12.832) 19.305 3.264 ( 0.000 2.535 2.650) 3.668 3.342 ( 0.000 3.070 6.672) 7.344 3.514 ( 0.000 -18.715 -0.694) 18.728 3.590 ( 0.000 0.503 0.435) 0.665 3.759 ( 0.000 -0.391 1.046) 1.117 3.812 ( 0.000 -8.213 -0.073) 8.214 3.835 ( 0.000 -4.144 0.270) 4.153 3.920 ( 0.000 -4.255 1.857) 4.643 3.948 ( -0.000 8.921 -0.666) 8.946 4.122 ( 0.000 -0.374 0.789) 0.873 4.200 ( -0.000 -3.751 -2.609) 4.570 5.056 ( 0.000 0.593 1.929) 2.018 5.680 ( 0.000 3.327 2.011) 3.888 5.798 ( -0.000 5.434 1.769) 5.714 6.099 ( -0.000 1.079 -2.108) 2.368 6.170 ( -0.000 1.791 -0.973) 2.038 6.666 ( -0.000 2.097 -2.234) 3.064 8.428 ( 0.000 -2.954 -0.188) 2.960 8.502 ( 0.000 -4.774 1.367) 4.966 8.541 ( -0.000 3.914 -0.339) 3.929 8.646 ( -0.000 6.211 -1.068) 6.303 12.172 ( 0.000 1.551 2.214) 2.703 12.833 ( 0.000 1.041 1.293) 1.660 12.931 ( -0.000 -0.548 -2.954) 3.005 13.322 ( 0.000 -3.603 -0.757) 3.682 13.651 ( -0.000 -0.384 -0.394) 0.550 14.029 ( 0.000 3.829 3.165) 4.968 15.860 ( -0.000 -0.100 -0.911) 0.916 15.862 ( -0.000 -1.496 -4.141) 4.403 21.093 ( 0.000 0.205 3.470) 3.476 21.427 ( 0.000 -0.365 -0.051) 0.369 21.941 ( 0.000 0.766 3.819) 3.895 22.534 ( -0.000 -0.643 -1.443) 1.580 22.550 ( 0.000 -1.395 5.705) 5.873 22.809 ( 0.000 -0.869 2.092) 2.265 24.015 ( 0.000 -8.604 7.875) 11.664 24.548 ( -0.000 -1.152 -4.842) 4.977 25.395 ( -0.000 11.992 -10.992) 16.267 25.429 ( -0.000 -1.487 -2.476) 2.888 25.780 ( 0.000 -3.728 1.654) 4.079 26.183 ( 0.000 3.248 3.254) 4.597 26.393 ( -0.000 -3.595 -27.147) 27.384 27.115 ( 0.000 1.832 3.185) 3.674 27.150 ( 0.000 0.177 1.088) 1.102 27.691 ( 0.000 -2.533 7.316) 7.742 28.310 ( 0.000 9.183 5.479) 10.693 28.627 ( 0.000 2.236 2.131) 3.089 34.019 ( 0.000 -1.790 3.822) 4.220 36.032 ( -0.000 3.353 -7.836) 8.523 36.412 ( 0.000 -5.097 2.709) 5.772 37.146 ( -0.000 -20.019 -14.333) 24.621 37.676 ( 0.000 -1.652 4.750) 5.029 38.220 ( -0.000 0.927 -1.038) 1.392 38.343 ( 0.000 8.331 11.518) 14.214 39.024 ( -0.000 8.324 -2.914) 8.819 39.288 ( 0.000 1.686 7.919) 8.096 40.381 ( -0.000 5.652 -3.902) 6.868 44.565 ( 0.000 -0.599 0.028) 0.600 45.223 ( 0.000 -1.525 0.158) 1.533 ======================= Grid point 210 (82/146) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 3.688 -16.337 -13.572) 21.556 3.280 ( -1.028 0.847 2.495) 2.828 3.354 ( 5.861 -23.164 -1.458) 23.938 3.390 ( 0.625 2.039 3.379) 3.995 3.596 ( 1.353 -3.000 1.302) 3.540 3.717 ( 3.476 -15.942 -0.280) 16.319 3.735 ( 2.139 -8.573 4.261) 9.810 3.832 ( 2.020 -0.775 -2.836) 3.567 3.906 ( 2.534 -4.403 2.579) 5.697 4.039 ( 1.668 6.753 -0.083) 6.957 4.088 ( -0.635 -5.310 -0.591) 5.381 4.174 ( -0.201 -0.285 -0.460) 0.577 5.073 ( 0.497 0.867 1.255) 1.604 5.722 ( -1.192 5.855 1.928) 6.278 5.850 ( -2.383 8.216 2.430) 8.893 6.099 ( -0.743 1.623 -2.130) 2.779 6.186 ( -0.901 3.368 -0.604) 3.538 6.668 ( -2.010 2.990 -1.433) 3.877 8.401 ( 0.939 -3.887 0.229) 4.006 8.451 ( -0.594 -5.085 1.297) 5.282 8.577 ( -1.191 5.863 -1.012) 6.067 8.700 ( -1.578 8.119 -1.175) 8.354 12.199 ( -0.168 2.528 2.408) 3.496 12.846 ( -0.552 1.575 0.810) 1.856 12.917 ( -0.012 -0.150 -2.613) 2.617 13.288 ( 1.369 -4.853 -2.168) 5.488 13.648 ( 0.168 -0.135 -1.182) 1.201 14.080 ( -0.627 4.855 4.867) 6.903 15.817 ( -1.370 -1.414 -4.370) 4.793 15.859 ( 0.372 -1.159 -0.817) 1.466 21.132 ( 2.559 0.092 3.495) 4.333 21.478 ( 6.717 -1.317 -0.042) 6.845 21.965 ( 0.271 1.351 3.646) 3.898 22.517 ( 1.044 -1.657 -2.374) 3.078 22.622 ( 6.788 -1.382 4.253) 8.129 22.804 ( 0.030 -2.280 2.489) 3.376 23.883 ( -5.836 -11.338 10.739) 16.671 24.548 ( 3.970 -2.994 -5.205) 7.198 25.380 ( -3.259 2.978 -5.846) 7.326 25.506 ( -0.414 9.423 -7.948) 12.334 25.698 ( -2.703 -3.623 0.789) 4.589 26.114 ( -10.433 3.956 -17.700) 20.923 26.347 ( 1.355 0.285 0.216) 1.402 27.023 ( -4.097 4.792 -6.477) 9.039 27.188 ( -2.196 -4.117 7.683) 8.989 27.768 ( 7.634 -1.093 5.684) 9.580 28.405 ( -1.746 8.704 0.940) 8.927 28.644 ( -4.509 8.461 4.914) 10.774 34.146 ( 15.309 -1.728 3.255) 15.747 36.078 ( 3.603 -0.195 -3.646) 5.129 36.194 ( -14.837 -8.433 -0.536) 17.074 36.815 ( -8.152 -19.266 -12.288) 24.262 37.790 ( 11.673 -4.332 3.498) 12.933 38.299 ( 8.257 -0.124 -1.068) 8.326 38.444 ( 0.456 3.916 9.271) 10.075 39.076 ( -4.566 10.975 -5.207) 12.978 39.352 ( -0.832 8.951 12.364) 15.286 40.377 ( -7.545 9.659 -4.822) 13.171 44.559 ( 0.334 -1.126 0.010) 1.174 45.208 ( 0.770 -2.911 0.242) 3.021 ======================= Grid point 211 (83/146) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 8.113 -16.555 -13.356) 22.766 3.261 ( 2.672 -8.979 1.787) 9.537 3.272 ( 6.559 -14.793 0.115) 16.183 3.428 ( 2.002 0.187 0.072) 2.012 3.565 ( 6.490 -15.848 -2.487) 17.305 3.670 ( 4.259 -8.537 4.180) 10.416 3.714 ( 3.561 -9.037 5.418) 11.122 3.851 ( 3.273 -2.323 -3.890) 5.590 3.933 ( 4.218 -3.558 1.872) 5.827 4.020 ( -0.438 -5.844 -0.744) 5.907 4.112 ( 0.398 3.759 -0.040) 3.780 4.169 ( -0.214 0.043 0.756) 0.787 5.096 ( 1.144 0.802 -0.101) 1.401 5.761 ( -2.623 7.861 1.030) 8.350 5.889 ( -3.826 8.798 2.690) 9.965 6.090 ( -1.332 1.157 -1.313) 2.199 6.190 ( -2.962 3.996 0.002) 4.974 6.648 ( -3.772 3.417 -0.021) 5.090 8.388 ( 1.462 -4.186 0.782) 4.502 8.409 ( 0.626 -3.279 0.810) 3.435 8.602 ( -2.149 5.914 -1.345) 6.435 8.733 ( -3.512 8.241 -1.238) 9.044 12.227 ( -0.439 2.932 1.938) 3.542 12.846 ( -1.147 1.712 -1.455) 2.523 12.914 ( -0.085 0.401 -0.003) 0.410 13.264 ( 2.853 -5.491 -3.155) 6.946 13.646 ( 0.478 -0.203 -1.737) 1.813 14.127 ( -1.670 5.254 5.344) 7.679 15.766 ( -1.463 -1.285 -4.031) 4.477 15.847 ( -0.043 -1.642 0.239) 1.660 21.185 ( 2.621 -0.228 2.345) 3.525 21.582 ( 7.402 -4.485 0.028) 8.654 22.001 ( 0.990 1.634 3.026) 3.579 22.513 ( 3.279 -4.263 -6.355) 8.325 22.749 ( 6.683 -0.691 1.714) 6.934 22.781 ( 0.990 -4.507 4.331) 6.329 23.778 ( -0.051 -4.048 12.350) 12.997 24.565 ( 4.532 -5.619 -5.078) 8.826 25.281 ( -10.814 4.203 -8.454) 14.356 25.483 ( -0.648 -1.634 -4.254) 4.603 25.697 ( -2.403 2.536 2.223) 4.140 25.895 ( -12.979 5.564 -12.678) 18.978 26.362 ( -1.880 6.570 2.674) 7.338 27.041 ( -4.978 -6.726 5.679) 10.113 27.117 ( 3.725 6.368 -5.301) 9.085 27.914 ( 7.236 0.695 4.176) 8.383 28.383 ( -5.207 1.156 -3.265) 6.254 28.702 ( -5.458 16.306 5.321) 18.000 34.449 ( 20.425 -3.655 0.634) 20.759 35.762 ( -15.826 -15.481 9.236) 23.988 36.203 ( 6.056 0.781 -12.089) 13.543 36.512 ( -4.902 -9.931 -7.429) 13.336 37.935 ( 10.157 -5.932 1.518) 11.860 38.392 ( 3.181 -6.354 4.780) 8.564 38.529 ( 6.339 2.169 -0.275) 6.705 39.037 ( -8.688 7.749 -1.681) 11.763 39.514 ( -1.349 17.859 11.610) 21.344 40.292 ( -12.276 11.397 -5.633) 17.672 44.555 ( 0.656 -1.380 -0.022) 1.528 45.198 ( 1.640 -3.526 0.284) 3.899 ======================= Grid point 221 (84/146) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -0.000 -19.825 -14.365) 24.482 3.043 ( 0.000 -29.289 -1.830) 29.346 3.281 ( 0.000 -7.254 -0.413) 7.266 3.370 ( 0.000 -9.485 0.526) 9.499 3.472 ( 0.000 -8.396 -2.782) 8.844 3.612 ( 0.000 -5.429 6.746) 8.659 3.636 ( 0.000 -11.412 6.547) 13.157 3.789 ( -0.000 -2.292 -4.876) 5.388 3.861 ( 0.000 -3.096 3.711) 4.833 4.028 ( 0.000 -6.998 -1.746) 7.213 4.086 ( -0.000 5.599 0.129) 5.600 4.181 ( 0.000 0.691 0.696) 0.981 5.077 ( 0.000 0.288 0.478) 0.558 5.801 ( -0.000 7.094 2.424) 7.497 5.953 ( -0.000 7.507 2.691) 7.975 6.118 ( -0.000 2.618 -2.407) 3.557 6.245 ( -0.000 7.055 0.266) 7.060 6.717 ( -0.000 4.671 -1.031) 4.783 8.355 ( 0.000 -4.159 0.069) 4.159 8.407 ( 0.000 -5.558 1.210) 5.688 8.646 ( -0.000 6.928 -1.213) 7.033 8.795 ( -0.000 9.387 -0.936) 9.434 12.237 ( 0.000 3.373 2.638) 4.282 12.873 ( 0.000 1.892 1.690) 2.537 12.906 ( -0.000 0.530 -3.600) 3.639 13.214 ( -0.000 -6.119 -3.249) 6.928 13.639 ( -0.000 -0.231 -2.289) 2.301 14.155 ( 0.000 5.821 6.269) 8.554 15.796 ( -0.000 -1.973 -4.535) 4.946 15.845 ( -0.000 -0.847 -0.868) 1.213 21.120 ( 0.000 -0.212 3.821) 3.827 21.410 ( 0.000 -1.390 -0.459) 1.463 21.984 ( 0.000 0.681 3.260) 3.330 22.506 ( -0.000 -1.030 -1.974) 2.226 22.537 ( 0.000 -4.222 3.003) 5.181 22.792 ( 0.000 -2.442 2.472) 3.475 23.828 ( 0.000 -15.683 12.986) 20.362 24.467 ( -0.000 -3.427 -5.103) 6.147 25.386 ( -0.000 -1.220 -1.843) 2.210 25.658 ( -0.000 15.713 -9.394) 18.307 25.674 ( -0.000 -1.442 -2.236) 2.661 26.222 ( -0.000 5.092 -24.714) 25.233 26.291 ( 0.000 5.300 2.913) 6.048 27.105 ( 0.000 -3.587 0.411) 3.611 27.176 ( 0.000 1.749 0.882) 1.959 27.717 ( 0.000 -0.535 9.585) 9.600 28.495 ( -0.000 5.860 -2.557) 6.393 28.818 ( 0.000 15.939 6.793) 17.327 34.009 ( 0.000 -1.887 3.519) 3.992 36.048 ( -0.000 3.747 -7.641) 8.511 36.171 ( 0.000 -24.075 -0.391) 24.079 36.651 ( -0.000 -18.318 -8.768) 20.308 37.680 ( 0.000 -1.281 4.654) 4.827 38.239 ( -0.000 1.692 -0.938) 1.935 38.488 ( 0.000 -0.237 8.343) 8.346 39.189 ( -0.000 7.448 -3.935) 8.424 39.524 ( 0.000 17.954 12.515) 21.886 40.539 ( -0.000 13.988 -5.958) 15.204 44.543 ( 0.000 -1.703 0.014) 1.703 45.166 ( 0.000 -4.483 0.281) 4.492 ======================= Grid point 222 (85/146) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 5.916 -21.496 -14.207) 26.437 2.817 ( 9.008 -31.507 -2.029) 32.833 3.101 ( 7.195 -31.290 -5.702) 32.609 3.334 ( -0.594 -1.172 3.871) 4.088 3.450 ( 0.524 -0.085 -1.831) 1.907 3.573 ( 2.684 -11.366 8.263) 14.306 3.599 ( 2.368 -6.648 6.385) 9.517 3.758 ( 2.172 -3.949 -6.168) 7.639 3.864 ( 1.662 -2.072 2.587) 3.707 3.955 ( 0.179 -6.897 -1.452) 7.051 4.138 ( 0.666 3.770 0.180) 3.833 4.185 ( -0.638 0.538 0.999) 1.302 5.082 ( 0.670 -0.298 -0.789) 1.077 5.870 ( -1.025 7.524 1.899) 7.828 6.013 ( -1.590 6.005 2.896) 6.854 6.127 ( -1.323 3.088 -2.267) 4.052 6.305 ( -2.749 8.874 1.472) 9.406 6.745 ( -2.513 5.734 -0.056) 6.261 8.326 ( 1.230 -4.091 0.092) 4.273 8.363 ( 0.499 -4.947 0.980) 5.068 8.694 ( -1.757 7.030 -1.308) 7.363 8.863 ( -2.313 9.389 -0.706) 9.696 12.275 ( -0.578 3.683 2.188) 4.323 12.878 ( -1.328 1.902 -1.546) 2.787 12.917 ( 0.747 1.261 0.063) 1.467 13.154 ( 1.653 -6.717 -3.999) 7.990 13.628 ( 0.307 -0.558 -3.107) 3.172 14.225 ( -1.122 6.078 6.381) 8.884 15.758 ( -0.764 -1.259 -3.743) 4.022 15.833 ( 0.035 -1.307 -0.341) 1.352 21.148 ( 2.150 -0.824 2.891) 3.696 21.438 ( 5.195 -2.777 -0.488) 5.911 22.002 ( 0.784 -0.095 2.145) 2.285 22.439 ( -1.247 -4.409 -3.826) 5.969 22.597 ( 8.012 -3.695 1.790) 9.002 22.769 ( -0.676 -2.891 2.209) 3.701 23.735 ( 0.674 -11.918 14.151) 18.514 24.440 ( 2.582 -4.447 -4.733) 6.989 25.371 ( -0.437 -0.330 -0.940) 1.088 25.545 ( -6.042 -2.958 -7.139) 9.809 25.791 ( -3.928 15.997 -3.169) 16.774 26.123 ( -9.137 10.834 -17.506) 22.524 26.410 ( 3.179 3.601 3.327) 5.844 27.022 ( -1.893 -2.138 -2.787) 3.990 27.180 ( -3.057 0.601 2.251) 3.844 27.823 ( 7.487 1.780 8.701) 11.616 28.473 ( -5.460 1.959 -5.855) 8.242 28.975 ( -4.313 19.335 5.610) 20.589 34.132 ( 14.588 -1.850 2.704) 14.952 35.790 ( -10.027 -29.392 -1.022) 31.072 36.091 ( 3.324 1.351 -8.727) 9.436 36.457 ( -3.100 -10.758 -3.188) 11.641 37.755 ( 7.560 -2.223 3.350) 8.562 38.290 ( 4.056 -0.083 -0.342) 4.071 38.501 ( 0.579 -1.982 5.288) 5.677 39.203 ( -4.217 4.985 1.045) 6.613 39.755 ( -0.623 22.215 9.455) 24.152 40.585 ( -9.098 16.073 -6.927) 19.726 44.529 ( 0.514 -2.028 -0.013) 2.093 45.131 ( 1.346 -5.282 0.296) 5.459 ======================= Grid point 233 (86/146) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -0.000 -25.401 -13.864) 28.938 2.405 ( 0.000 -36.496 -1.705) 36.536 2.670 ( 0.000 -39.276 -7.253) 39.940 3.341 ( 0.000 -2.269 5.746) 6.178 3.436 ( -0.000 -0.664 -1.034) 1.229 3.461 ( 0.000 -12.477 9.623) 15.757 3.537 ( 0.000 -6.416 3.815) 7.465 3.670 ( -0.000 -5.336 -7.806) 9.456 3.830 ( -0.000 -4.549 -1.855) 4.913 3.899 ( 0.000 -3.254 2.246) 3.954 4.165 ( -0.000 2.884 0.237) 2.894 4.200 ( 0.000 0.627 0.948) 1.137 5.066 ( -0.000 -1.069 -1.469) 1.817 5.949 ( -0.000 6.216 2.135) 6.572 6.082 ( 0.000 4.270 2.496) 4.946 6.169 ( -0.000 4.477 -2.161) 4.971 6.431 ( -0.000 10.560 2.600) 10.875 6.829 ( -0.000 7.168 0.046) 7.168 8.277 ( 0.000 -3.934 -0.253) 3.942 8.313 ( 0.000 -5.183 0.931) 5.266 8.773 ( -0.000 7.109 -1.173) 7.206 8.971 ( -0.000 9.257 -0.027) 9.257 12.325 ( 0.000 3.990 1.854) 4.400 12.910 ( -0.000 2.118 -2.680) 3.415 12.916 ( 0.000 0.935 1.729) 1.966 13.064 ( -0.000 -6.241 -4.372) 7.620 13.605 ( -0.000 -1.043 -4.289) 4.414 14.315 ( 0.000 6.078 6.066) 8.587 15.745 ( -0.000 -0.669 -2.375) 2.467 15.819 ( -0.000 -1.207 -0.845) 1.473 21.128 ( 0.000 -1.349 2.559) 2.893 21.368 ( -0.000 -2.399 -0.879) 2.555 21.990 ( 0.000 -1.935 0.677) 2.051 22.413 ( 0.000 -9.254 0.111) 9.254 22.472 ( -0.000 -1.158 -1.458) 1.862 22.755 ( 0.000 -2.791 1.842) 3.344 23.656 ( 0.000 -12.040 13.983) 18.452 24.368 ( -0.000 -3.481 -4.105) 5.382 25.365 ( -0.000 -0.243 -0.319) 0.401 25.517 ( -0.000 -4.931 -6.124) 7.862 26.029 ( -0.000 20.071 -1.972) 20.168 26.257 ( -0.000 13.459 -17.743) 22.269 26.404 ( -0.000 4.960 1.124) 5.086 27.017 ( -0.000 -4.282 -1.659) 4.592 27.223 ( 0.000 2.344 1.087) 2.583 27.798 ( 0.000 1.089 13.001) 13.046 28.524 ( -0.000 2.433 -9.808) 10.105 29.220 ( -0.000 20.246 4.484) 20.736 33.997 ( 0.000 -1.867 3.481) 3.951 35.528 ( 0.000 -37.240 -7.131) 37.917 36.069 ( -0.000 3.852 -7.688) 8.599 36.385 ( 0.000 -10.035 2.422) 10.323 37.690 ( 0.000 -1.082 4.717) 4.840 38.269 ( -0.000 2.039 -0.915) 2.235 38.485 ( 0.000 -3.922 4.889) 6.268 39.284 ( 0.000 3.389 5.353) 6.336 40.004 ( -0.000 23.150 5.102) 23.706 40.809 ( -0.000 19.018 -7.562) 20.467 44.503 ( 0.000 -2.456 -0.035) 2.457 45.064 ( 0.000 -6.341 0.264) 6.347 ======================= Grid point 270 (87/146) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.000 -0.000 34.283) 34.283 0.698 ( 0.000 -0.000 34.283) 34.283 1.297 ( 0.000 -0.000 61.675) 61.675 2.783 ( -0.000 0.000 -22.028) 22.028 2.783 ( -0.000 0.000 -22.028) 22.028 3.413 ( -0.000 0.000 -2.592) 2.592 3.582 ( 0.000 -0.000 12.506) 12.506 3.582 ( 0.000 -0.000 12.506) 12.506 3.597 ( -0.000 0.000 -0.843) 0.843 3.853 ( -0.000 0.000 -7.144) 7.144 4.209 ( -0.000 0.000 -1.764) 1.764 4.209 ( -0.000 0.000 -1.764) 1.764 5.321 ( 0.000 -0.000 3.903) 3.903 6.100 ( -0.000 0.000 -0.420) 0.420 6.100 ( -0.000 0.000 -0.420) 0.420 6.369 ( -0.000 0.000 -0.305) 0.305 6.369 ( -0.000 0.000 -0.305) 0.305 7.071 ( -0.000 0.000 -14.773) 14.773 8.142 ( 0.000 -0.000 -0.003) 0.003 8.142 ( -0.000 -0.000 -0.003) 0.003 9.040 ( 0.000 -0.000 3.079) 3.079 9.040 ( 0.000 -0.000 3.079) 3.079 12.548 ( 0.000 -0.000 5.898) 5.898 12.855 ( 0.000 -0.000 11.003) 11.003 13.020 ( -0.000 0.000 -0.203) 0.203 13.020 ( -0.000 0.000 -0.203) 0.203 14.354 ( -0.000 0.000 -2.075) 2.075 14.403 ( -0.000 0.000 -12.786) 12.786 15.739 ( -0.000 0.000 -2.396) 2.396 15.739 ( -0.000 0.000 -2.396) 2.396 21.089 ( 0.000 -0.000 3.713) 3.713 21.270 ( 0.000 -0.000 0.331) 0.331 21.270 ( 0.000 -0.000 0.331) 0.331 22.457 ( 0.000 -0.000 2.904) 2.904 22.457 ( 0.000 -0.000 2.904) 2.904 22.662 ( -0.000 0.000 -1.646) 1.646 24.201 ( -0.000 0.000 -3.248) 3.248 24.201 ( -0.000 0.000 -3.248) 3.248 25.375 ( -0.000 0.000 -0.344) 0.344 25.375 ( -0.000 0.000 -0.344) 0.344 26.557 ( 0.000 -0.000 0.025) 0.025 26.557 ( -0.000 0.000 0.025) 0.025 26.595 ( 0.000 -0.000 0.232) 0.232 26.724 ( -0.000 0.000 -0.079) 0.079 27.338 ( 0.000 -0.000 1.900) 1.900 27.338 ( 0.000 -0.000 1.900) 1.900 29.934 ( -0.000 0.000 -0.427) 0.427 30.057 ( 0.000 -0.000 0.195) 0.195 34.052 ( 0.000 -0.000 8.635) 8.635 34.052 ( 0.000 -0.000 8.635) 8.635 35.987 ( -0.000 0.000 -14.102) 14.102 35.987 ( -0.000 0.000 -14.102) 14.102 37.788 ( 0.000 -0.000 8.631) 8.631 37.788 ( 0.000 -0.000 8.631) 8.631 38.309 ( -0.000 0.000 -2.747) 2.747 38.309 ( -0.000 0.000 -2.747) 2.747 41.441 ( 0.000 -0.000 1.059) 1.059 41.951 ( -0.000 0.000 -1.322) 1.322 44.397 ( 0.000 -0.000 0.342) 0.342 44.803 ( -0.000 0.000 -0.148) 0.148 ======================= Grid point 271 (88/146) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 26.716 15.424 22.818) 38.370 1.205 ( 27.957 16.141 23.532) 39.948 1.639 ( 12.388 7.152 53.060) 54.955 2.782 ( 7.042 4.066 -21.941) 23.399 2.805 ( 8.225 4.748 -20.714) 22.787 3.398 ( -0.554 -0.320 -2.661) 2.737 3.555 ( -1.651 -0.953 2.348) 3.025 3.648 ( 2.185 1.262 11.364) 11.641 3.682 ( 3.766 2.174 7.295) 8.493 3.819 ( -0.508 -0.293 -8.045) 8.067 4.196 ( -0.514 -0.297 -2.010) 2.096 4.204 ( 0.005 0.003 -1.810) 1.810 5.216 ( -5.440 -3.141 9.785) 11.627 6.090 ( -0.949 -0.548 -0.431) 1.177 6.166 ( 2.021 1.167 -2.478) 3.403 6.330 ( -3.211 -1.854 -0.340) 3.724 6.437 ( 3.078 1.777 -9.711) 10.341 6.984 ( -3.243 -1.872 -12.630) 13.174 8.153 ( 1.174 0.678 -0.144) 1.364 8.168 ( 2.154 1.243 -0.126) 2.490 9.019 ( -2.831 -1.635 3.190) 4.568 9.109 ( 2.568 1.483 -1.408) 3.283 12.516 ( -4.092 -2.362 5.143) 6.983 12.915 ( 1.760 1.016 10.226) 10.426 13.013 ( -0.182 -0.105 1.374) 1.390 13.020 ( -0.384 -0.222 0.061) 0.448 14.049 ( -17.125 -9.887 15.219) 24.952 14.339 ( -1.648 -0.951 -14.117) 14.245 15.730 ( 0.387 0.223 -2.455) 2.495 15.744 ( 0.542 0.313 -1.632) 1.748 21.109 ( 0.755 0.436 3.100) 3.220 21.287 ( 1.305 0.754 0.587) 1.617 21.544 ( 18.528 10.697 -4.709) 21.906 22.428 ( -1.506 -0.869 6.929) 7.144 22.478 ( 0.603 0.348 3.182) 3.257 22.667 ( 1.027 0.593 -1.725) 2.093 23.795 ( -19.581 -11.305 9.720) 24.610 24.178 ( 0.120 0.069 -3.542) 3.545 25.356 ( -0.462 -0.267 0.083) 0.540 25.383 ( 0.403 0.233 0.008) 0.465 26.390 ( -7.615 -4.397 -3.218) 9.364 26.527 ( -2.339 -1.351 -0.418) 2.733 26.558 ( -2.755 -1.591 -0.132) 3.184 27.140 ( 3.504 2.023 -0.613) 4.092 27.350 ( -0.181 -0.105 2.231) 2.241 27.445 ( 20.135 11.625 -11.113) 25.769 29.385 ( -41.067 -23.710 25.849) 54.007 29.841 ( -8.512 -4.914 -0.671) 9.852 34.142 ( 2.938 1.696 10.651) 11.178 34.246 ( 17.035 9.835 7.281) 20.974 35.833 ( -5.096 -2.942 -15.933) 16.985 36.221 ( 13.352 7.709 -6.101) 16.581 37.874 ( 2.442 1.410 9.711) 10.112 38.271 ( -1.751 -1.011 -4.017) 4.497 38.285 ( 30.265 17.474 -27.660) 44.569 38.348 ( 3.662 2.114 -2.147) 4.743 41.180 ( -22.277 -12.862 6.852) 26.621 41.640 ( -19.561 -11.294 9.427) 24.476 44.414 ( 1.393 0.804 0.259) 1.630 44.838 ( 3.250 1.876 -0.222) 3.759 ======================= Grid point 272 (89/146) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 25.294 14.604 20.611) 35.748 1.925 ( 30.670 17.707 15.518) 38.665 2.164 ( 22.078 12.747 34.748) 43.097 2.934 ( 12.670 7.315 -18.747) 23.781 2.986 ( 13.186 7.613 -15.898) 22.013 3.373 ( -0.682 -0.394 -2.985) 3.087 3.532 ( -0.919 -0.531 0.088) 1.065 3.744 ( 3.257 1.880 9.103) 9.849 3.780 ( 1.434 0.828 -6.626) 6.830 3.799 ( 3.056 1.764 3.709) 5.120 4.172 ( -1.140 -0.658 -1.998) 2.392 4.198 ( 0.029 0.017 -1.606) 1.607 5.178 ( -1.388 -0.801 7.157) 7.335 6.057 ( -1.840 -1.062 -0.696) 2.236 6.170 ( -0.762 -0.440 -0.514) 1.019 6.230 ( -5.795 -3.346 -0.045) 6.691 6.388 ( -3.686 -2.128 -11.109) 11.896 6.854 ( -5.353 -3.091 -8.327) 10.370 8.190 ( 2.283 1.318 -0.314) 2.654 8.231 ( 3.554 2.052 -0.519) 4.136 8.942 ( -5.017 -2.897 3.008) 6.528 9.097 ( -3.097 -1.788 -0.501) 3.611 12.426 ( -4.854 -2.802 2.272) 6.047 12.944 ( -0.892 -0.515 0.120) 1.037 13.000 ( -1.615 -0.932 1.068) 2.149 13.073 ( 3.856 2.226 10.868) 11.745 13.837 ( -7.706 -4.449 12.880) 15.655 14.242 ( -2.708 -1.563 -14.322) 14.660 15.738 ( 0.986 0.569 -1.774) 2.108 15.751 ( 0.270 0.156 0.171) 0.356 21.141 ( 1.435 0.828 1.070) 1.972 21.325 ( 1.838 1.061 0.930) 2.317 21.872 ( 10.525 6.076 -0.404) 12.159 22.499 ( 0.289 0.167 2.904) 2.923 22.515 ( 7.583 4.378 9.385) 12.835 22.699 ( 2.515 1.452 -1.601) 3.316 23.573 ( -2.670 -1.542 -5.697) 6.477 24.185 ( 1.469 0.848 -2.313) 2.868 25.345 ( -1.271 -0.734 0.585) 1.580 25.392 ( 0.320 0.185 0.624) 0.726 26.190 ( -9.647 -5.570 -0.643) 11.158 26.456 ( -3.825 -2.209 -1.271) 4.596 26.474 ( -6.094 -3.518 2.026) 7.322 27.046 ( -7.333 -4.234 5.871) 10.304 27.344 ( -1.109 -0.640 2.076) 2.439 27.820 ( 14.594 8.426 -14.447) 22.196 28.741 ( -24.692 -14.256 20.122) 34.898 29.585 ( -13.939 -8.048 -1.842) 16.201 34.243 ( 2.866 1.655 9.945) 10.481 34.776 ( 27.740 16.016 5.484) 32.497 35.673 ( -4.682 -2.703 -13.532) 14.572 36.483 ( 11.303 6.526 4.312) 13.746 37.955 ( 1.982 1.144 9.237) 9.516 38.207 ( -2.601 -1.502 -5.249) 6.048 38.449 ( 5.969 3.446 -2.016) 7.181 38.672 ( 14.616 8.439 -27.320) 32.113 40.676 ( -24.122 -13.927 5.072) 28.312 41.222 ( -21.816 -12.596 7.536) 26.294 44.454 ( 2.107 1.216 0.089) 2.434 44.935 ( 5.365 3.097 -0.367) 6.205 ======================= Grid point 273 (90/146) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( 17.780 10.265 23.269) 31.031 2.612 ( 27.830 16.067 10.345) 33.759 2.800 ( 26.856 15.505 16.409) 35.084 3.186 ( 14.776 8.531 -13.559) 21.793 3.186 ( 4.913 2.837 -6.381) 8.539 3.388 ( 5.842 3.373 -6.801) 9.579 3.512 ( -0.598 -0.345 -2.284) 2.386 3.788 ( 3.309 1.910 -8.586) 9.397 3.840 ( 2.948 1.702 6.226) 7.095 3.898 ( 3.639 2.101 4.012) 5.810 4.128 ( -2.399 -1.385 -1.669) 3.234 4.195 ( 0.170 0.098 -1.159) 1.175 5.181 ( -0.236 -0.136 3.320) 3.331 6.001 ( -3.239 -1.870 -2.667) 4.594 6.093 ( -6.277 -3.624 2.068) 7.537 6.135 ( -2.690 -1.553 0.584) 3.161 6.234 ( -6.544 -3.778 -8.397) 11.296 6.704 ( -6.151 -3.551 -4.056) 8.179 8.247 ( 2.921 1.687 -0.387) 3.396 8.315 ( 4.244 2.450 -0.948) 4.992 8.828 ( -6.107 -3.526 2.442) 7.463 8.987 ( -6.687 -3.861 0.969) 7.782 12.332 ( -3.894 -2.248 -0.363) 4.512 12.912 ( -1.442 -0.833 -1.603) 2.312 12.960 ( -2.427 -1.401 2.201) 3.564 13.212 ( 5.014 2.895 10.445) 11.942 13.755 ( -3.555 -2.052 7.158) 8.252 14.132 ( -2.930 -1.691 -12.959) 13.393 15.756 ( -0.185 -0.107 2.375) 2.385 15.760 ( 1.324 0.764 -0.732) 1.695 21.175 ( 1.675 0.967 -1.478) 2.434 21.368 ( 1.662 0.959 1.011) 2.169 22.006 ( 3.223 1.861 -0.466) 3.751 22.509 ( -0.190 -0.110 2.424) 2.433 22.755 ( 8.407 4.854 11.548) 15.086 22.762 ( 3.559 2.055 -1.733) 4.460 23.621 ( 11.214 6.475 -19.777) 23.639 24.226 ( 2.523 1.456 0.318) 2.930 25.274 ( -6.506 -3.756 3.990) 8.506 25.400 ( 0.071 0.041 1.357) 1.360 26.007 ( -6.329 -3.654 1.591) 7.480 26.265 ( -15.343 -8.858 14.040) 22.605 26.360 ( -4.135 -2.387 -2.170) 5.244 26.955 ( -1.180 -0.681 0.325) 1.400 27.316 ( -1.942 -1.121 1.249) 2.567 27.986 ( 5.123 2.958 -10.892) 12.395 28.425 ( -9.912 -5.723 10.171) 15.312 29.253 ( -15.056 -8.692 -3.008) 17.643 34.320 ( 1.489 0.859 5.133) 5.413 35.423 ( 28.955 16.717 3.217) 33.588 35.556 ( -2.528 -1.459 -6.222) 6.873 36.742 ( 10.105 5.834 9.143) 14.824 38.021 ( 1.357 0.784 7.523) 7.684 38.126 ( -2.986 -1.724 -6.048) 6.962 38.575 ( 5.916 3.415 -5.467) 8.749 38.797 ( 4.507 2.602 -13.861) 14.806 40.186 ( -20.833 -12.028 -3.016) 24.244 40.764 ( -21.267 -12.278 7.002) 25.535 44.502 ( 2.125 1.227 0.000) 2.454 45.055 ( 5.488 3.168 -0.394) 6.349 ======================= Grid point 274 (91/146) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 12.927 7.464 19.233) 24.346 3.126 ( -5.420 -3.129 -1.259) 6.384 3.191 ( 22.411 12.939 5.996) 26.563 3.398 ( 19.631 11.334 5.040) 23.222 3.458 ( 12.746 7.359 -7.702) 16.611 3.491 ( 1.557 0.899 -1.409) 2.284 3.538 ( 7.542 4.354 -8.575) 12.222 3.880 ( 6.183 3.570 -5.457) 8.986 3.904 ( 1.211 0.699 3.028) 3.335 3.984 ( 3.667 2.117 1.631) 4.538 4.046 ( -4.973 -2.871 -0.911) 5.814 4.199 ( 0.371 0.214 -0.286) 0.515 5.179 ( -0.492 -0.284 -0.946) 1.104 5.879 ( -5.889 -3.400 -4.684) 8.257 6.001 ( -8.369 -4.832 -3.074) 10.141 6.011 ( -2.465 -1.423 4.430) 5.266 6.128 ( -1.928 -1.113 -0.085) 2.228 6.578 ( -4.325 -2.497 0.137) 4.996 8.312 ( 3.045 1.758 -0.184) 3.521 8.406 ( 4.400 2.540 -1.221) 5.226 8.702 ( -5.819 -3.359 1.422) 6.868 8.830 ( -7.702 -4.447 1.259) 8.982 12.261 ( -2.165 -1.250 -1.965) 3.179 12.879 ( -0.985 -0.569 -1.809) 2.137 12.914 ( -2.462 -1.421 2.956) 4.101 13.340 ( 3.530 2.038 6.704) 7.846 13.714 ( -1.964 -1.134 2.865) 3.654 14.041 ( -1.565 -0.904 -9.548) 9.718 15.758 ( -0.644 -0.372 4.317) 4.380 15.788 ( 1.266 0.731 0.382) 1.511 21.200 ( 1.354 0.782 -3.779) 4.089 21.401 ( 1.081 0.624 0.877) 1.526 22.046 ( 1.308 0.755 -2.789) 3.172 22.509 ( -0.441 -0.255 2.139) 2.199 22.832 ( 3.169 1.830 -2.405) 4.379 22.887 ( 1.782 1.029 0.674) 2.165 23.916 ( 20.509 11.841 -19.768) 30.848 24.292 ( 2.776 1.603 3.708) 4.901 25.094 ( -11.269 -6.506 10.069) 16.454 25.402 ( -0.377 -0.218 1.951) 1.999 25.908 ( -8.429 -4.866 6.573) 11.745 25.980 ( -10.822 -6.248 20.193) 23.747 26.273 ( -2.839 -1.639 -2.770) 4.292 26.983 ( 3.520 2.033 -2.806) 4.939 27.270 ( -2.272 -1.312 -0.159) 2.629 28.004 ( 0.152 0.088 -7.778) 7.780 28.322 ( -2.748 -1.586 2.774) 4.215 28.943 ( -11.448 -6.609 -4.022) 13.817 34.330 ( -1.008 -0.582 -2.667) 2.910 35.535 ( 0.995 0.574 4.329) 4.479 36.013 ( 23.560 13.603 0.306) 27.207 36.964 ( 6.269 3.619 11.772) 13.820 38.019 ( -2.896 -1.672 -6.309) 7.140 38.087 ( 0.844 0.487 5.021) 5.115 38.608 ( -0.323 -0.187 -15.736) 15.740 38.849 ( 2.780 1.605 4.301) 5.367 39.769 ( -14.610 -8.435 -9.990) 19.606 40.389 ( -14.497 -8.370 7.797) 18.466 44.542 ( 1.541 0.890 -0.038) 1.780 45.160 ( 4.007 2.314 -0.276) 4.635 ======================= Grid point 275 (92/146) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( -10.526 -6.077 -0.963) 12.192 3.044 ( 8.465 4.887 13.160) 16.393 3.455 ( -0.199 -0.115 -4.949) 4.955 3.601 ( 3.240 1.871 -4.389) 5.767 3.617 ( 14.576 8.415 1.684) 16.915 3.662 ( 6.920 3.995 -1.938) 8.222 3.836 ( 11.007 6.355 0.080) 12.710 3.867 ( -7.352 -4.245 -1.148) 8.567 3.932 ( -2.918 -1.685 1.278) 3.603 3.954 ( 2.209 1.275 -1.834) 3.141 4.066 ( 2.980 1.720 -0.055) 3.441 4.199 ( -1.392 -0.804 1.745) 2.373 5.153 ( -0.928 -0.536 -3.940) 4.083 5.761 ( -2.744 -1.584 -4.580) 5.569 5.839 ( -4.137 -2.388 -2.579) 5.428 5.997 ( -0.340 -0.196 4.841) 4.857 6.107 ( -0.377 -0.218 2.309) 2.349 6.532 ( -0.302 -0.174 3.877) 3.893 8.375 ( 2.583 1.491 0.606) 3.043 8.500 ( 4.730 2.731 -1.293) 5.613 8.594 ( -4.001 -2.310 -0.084) 4.621 8.674 ( -6.611 -3.817 0.774) 7.673 12.226 ( -0.316 -0.182 -2.651) 2.676 12.861 ( -0.029 -0.017 -1.757) 1.757 12.878 ( -1.761 -1.017 3.227) 3.814 13.386 ( -0.897 -0.518 1.639) 1.939 13.683 ( -1.390 -0.802 0.292) 1.631 14.020 ( 2.125 1.227 -4.733) 5.331 15.757 ( -0.953 -0.550 5.464) 5.573 15.815 ( 0.833 0.481 1.266) 1.590 21.207 ( 0.634 0.366 -5.237) 5.288 21.420 ( 0.348 0.201 0.711) 0.816 22.053 ( 0.560 0.323 -4.462) 4.509 22.505 ( -0.553 -0.319 1.953) 2.055 22.862 ( -1.992 -1.150 -10.743) 10.987 22.874 ( 1.338 0.772 -3.059) 3.427 24.283 ( 15.384 8.882 -20.158) 26.869 24.362 ( 1.802 1.041 6.620) 6.940 24.919 ( -5.584 -3.224 16.045) 17.292 25.396 ( -0.803 -0.464 2.076) 2.274 25.690 ( -12.641 -7.298 30.785) 34.071 25.941 ( -0.824 -0.475 3.697) 3.818 26.229 ( -0.221 -0.127 -2.806) 2.817 27.062 ( 3.741 2.160 -1.209) 4.486 27.222 ( -1.716 -0.991 -1.662) 2.587 27.960 ( -1.574 -0.909 -8.007) 8.211 28.302 ( 0.702 0.405 -0.280) 0.858 28.752 ( -4.458 -2.574 -4.753) 7.007 34.265 ( -2.962 -1.710 -8.278) 8.956 35.622 ( 4.009 2.315 12.462) 13.294 36.407 ( 12.045 6.954 -3.160) 14.263 37.048 ( -3.765 -2.174 13.695) 14.369 37.923 ( -3.184 -1.838 -8.576) 9.330 38.130 ( 1.337 0.772 4.766) 5.010 38.534 ( 0.656 0.379 -13.821) 13.842 38.911 ( 0.471 0.272 5.396) 5.423 39.520 ( -4.198 -2.424 -11.913) 12.861 40.208 ( -4.474 -2.583 8.526) 9.968 44.566 ( 0.560 0.323 -0.066) 0.650 45.221 ( 1.571 0.907 -0.106) 1.818 ======================= Grid point 276 (93/146) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -15.258 -8.809 0.625) 17.629 3.223 ( 4.758 2.747 7.345) 9.172 3.437 ( 0.004 0.003 -4.334) 4.334 3.521 ( -17.680 -10.208 -1.357) 20.461 3.629 ( -0.570 -0.329 -2.344) 2.434 3.755 ( 0.881 0.509 1.280) 1.635 3.829 ( -8.976 -5.182 -1.320) 10.448 3.857 ( -4.795 -2.768 -1.721) 5.798 3.928 ( 9.076 5.240 1.259) 10.556 3.960 ( -2.446 -1.412 -1.562) 3.228 4.130 ( -4.535 -2.618 1.444) 5.432 4.146 ( 3.199 1.847 0.645) 3.750 5.120 ( -0.886 -0.511 -4.038) 4.165 5.745 ( 2.582 1.491 -4.189) 5.141 5.844 ( 5.068 2.926 -2.353) 6.307 6.026 ( 1.441 0.832 4.783) 5.064 6.133 ( 2.276 1.314 2.451) 3.594 6.585 ( 3.345 1.931 5.091) 6.391 8.405 ( -1.099 -0.635 1.652) 2.084 8.530 ( -4.685 -2.705 -1.010) 5.503 8.555 ( 1.603 0.925 -1.365) 2.300 8.631 ( 5.682 3.280 0.149) 6.562 12.228 ( 1.341 0.774 -2.719) 3.129 12.862 ( -0.604 -0.348 3.085) 3.163 12.866 ( 1.015 0.586 -1.703) 2.067 13.319 ( -4.972 -2.870 -0.335) 5.751 13.654 ( -1.276 -0.737 -0.571) 1.581 14.093 ( 5.187 2.995 -2.654) 6.551 15.754 ( -1.033 -0.596 5.503) 5.631 15.831 ( 0.171 0.099 1.689) 1.701 21.193 ( -0.200 -0.116 -5.512) 5.517 21.421 ( -0.470 -0.272 0.659) 0.854 22.044 ( 0.070 0.040 -5.087) 5.088 22.498 ( -0.655 -0.378 1.739) 1.896 22.746 ( -4.759 -2.748 -12.247) 13.424 22.867 ( -0.966 -0.558 -3.100) 3.295 24.274 ( -8.166 -4.715 -17.277) 19.683 24.406 ( -0.135 -0.078 7.757) 7.759 25.116 ( 16.846 9.726 12.802) 23.287 25.383 ( -0.868 -0.501 1.640) 1.922 25.594 ( -6.184 -3.570 30.516) 31.340 25.942 ( -0.014 -0.008 5.212) 5.212 26.246 ( 2.513 1.451 -2.302) 3.704 27.114 ( 0.603 0.348 1.468) 1.625 27.191 ( -0.351 -0.202 -2.520) 2.552 27.888 ( -1.923 -1.110 -9.903) 10.149 28.362 ( 4.394 2.537 0.873) 5.148 28.722 ( 3.621 2.091 -5.974) 7.292 34.162 ( -3.432 -1.982 -9.327) 10.134 35.775 ( 5.318 3.070 15.244) 16.434 36.484 ( -4.681 -2.703 -3.847) 6.634 36.873 ( -14.543 -8.397 10.716) 19.921 37.828 ( -2.801 -1.617 -8.937) 9.504 38.176 ( 1.629 0.941 3.403) 3.889 38.576 ( 4.599 2.655 -10.584) 11.841 38.942 ( 3.468 2.003 5.342) 6.677 39.501 ( 5.367 3.098 -11.900) 13.416 40.246 ( 4.968 2.868 8.832) 10.532 44.566 ( -0.536 -0.310 -0.060) 0.622 45.225 ( -1.237 -0.714 -0.027) 1.429 ======================= Grid point 277 (94/146) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -19.312 -11.150 5.118) 22.879 3.036 ( -25.977 -14.998 -0.391) 29.998 3.261 ( -11.588 -6.690 2.931) 13.698 3.383 ( -8.671 -5.006 -0.412) 10.021 3.444 ( -2.951 -1.704 1.397) 3.682 3.670 ( -3.702 -2.137 -4.406) 6.139 3.700 ( -8.331 -4.810 -5.774) 11.220 3.737 ( -3.209 -1.853 5.125) 6.324 3.890 ( -2.741 -1.583 -2.003) 3.746 4.014 ( -6.188 -3.573 0.977) 7.212 4.085 ( 5.125 2.959 0.353) 5.928 4.188 ( 0.944 0.545 -0.666) 1.278 5.089 ( -1.030 -0.594 -1.815) 2.170 5.830 ( 5.820 3.360 -3.339) 7.504 5.982 ( 6.570 3.793 -2.815) 8.092 6.087 ( 2.713 1.566 3.783) 4.911 6.240 ( 7.251 4.186 1.358) 8.482 6.696 ( 5.322 3.073 3.106) 6.885 8.351 ( -3.405 -1.966 0.739) 4.000 8.419 ( -4.894 -2.825 -0.990) 5.737 8.640 ( 5.528 3.192 -0.065) 6.384 8.789 ( 8.176 4.720 0.260) 9.444 12.264 ( 2.661 1.536 -2.443) 3.925 12.873 ( 0.685 0.395 2.815) 2.924 12.891 ( 1.628 0.940 -1.799) 2.602 13.190 ( -6.501 -3.753 1.406) 7.637 13.625 ( -1.322 -0.763 0.460) 1.594 14.207 ( 5.911 3.413 -3.800) 7.812 15.749 ( -0.889 -0.513 4.387) 4.506 15.833 ( -0.520 -0.300 1.539) 1.651 21.163 ( -0.868 -0.501 -4.554) 4.663 21.403 ( -1.350 -0.780 0.758) 1.733 22.022 ( -0.607 -0.350 -4.103) 4.162 22.488 ( -0.827 -0.478 1.519) 1.794 22.586 ( -6.729 -3.885 -6.673) 10.242 22.818 ( -2.410 -1.392 -2.533) 3.763 23.970 ( -12.981 -7.495 -14.739) 21.022 24.406 ( -2.016 -1.164 6.697) 7.090 25.371 ( -0.594 -0.343 0.949) 1.171 25.563 ( 5.303 3.062 11.575) 13.095 25.593 ( 11.668 6.737 12.493) 18.374 26.017 ( 4.876 2.815 13.904) 15.001 26.314 ( 4.134 2.387 -1.661) 5.055 27.093 ( -3.012 -1.739 2.256) 4.146 27.192 ( 1.151 0.664 -2.245) 2.609 27.826 ( -0.250 -0.144 -11.371) 11.374 28.457 ( 2.728 1.575 4.739) 5.690 28.888 ( 13.394 7.733 -6.591) 16.812 34.064 ( -2.804 -1.619 -7.208) 7.901 35.939 ( 5.003 2.889 13.353) 14.549 36.149 ( -24.776 -14.304 3.866) 28.869 36.603 ( -10.974 -6.336 0.662) 12.689 37.745 ( -2.081 -1.202 -7.870) 8.229 38.223 ( 1.848 1.067 2.120) 3.008 38.569 ( -1.850 -1.068 -7.559) 7.855 39.136 ( 9.507 5.489 6.507) 12.761 39.660 ( 13.577 7.839 -13.765) 20.862 40.465 ( 12.049 6.956 8.423) 16.264 44.543 ( -1.497 -0.864 -0.014) 1.728 45.168 ( -3.832 -2.213 -0.102) 4.426 ======================= Grid point 282 (95/146) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 28.073 24.195) 37.061 1.295 ( 0.000 29.891 25.387) 39.217 1.819 ( 0.000 12.778 52.178) 53.720 2.713 ( -0.000 9.138 -22.551) 24.332 2.727 ( -0.000 9.584 -21.725) 23.745 3.390 ( -0.000 -0.480 -2.678) 2.721 3.559 ( 0.000 -2.004 0.263) 2.021 3.681 ( 0.000 2.073 10.554) 10.755 3.710 ( 0.000 4.024 7.570) 8.573 3.791 ( -0.000 -0.432 -8.381) 8.392 4.191 ( -0.000 -0.260 -2.165) 2.181 4.194 ( -0.000 -0.267 -2.081) 2.099 5.244 ( 0.000 -6.619 9.027) 11.194 6.079 ( 0.000 -1.777 -0.500) 1.846 6.142 ( -0.000 0.676 -2.103) 2.209 6.341 ( 0.000 -2.825 -0.259) 2.837 6.418 ( -0.000 3.611 -8.178) 8.940 6.945 ( -0.000 -2.052 -13.663) 13.816 8.159 ( -0.000 1.963 -0.164) 1.969 8.161 ( -0.000 1.787 -0.095) 1.789 9.031 ( 0.000 -3.319 3.299) 4.680 9.104 ( -0.000 2.316 -0.226) 2.327 12.531 ( 0.000 -5.501 5.356) 7.678 12.945 ( 0.000 0.261 9.484) 9.487 13.010 ( 0.000 -0.822 -0.061) 0.824 13.032 ( 0.000 1.439 3.431) 3.720 14.093 ( 0.000 -17.856 11.495) 21.236 14.288 ( -0.000 -1.933 -15.362) 15.483 15.719 ( -0.000 0.444 -1.917) 1.968 15.746 ( -0.000 1.696 -2.322) 2.876 21.114 ( 0.000 -0.231 3.114) 3.122 21.290 ( -0.000 1.855 0.662) 1.969 21.534 ( -0.000 21.907 -3.698) 22.217 22.447 ( 0.000 -3.116 7.414) 8.042 22.477 ( 0.000 0.304 3.131) 3.146 22.658 ( -0.000 0.841 -1.855) 2.036 23.726 ( 0.000 -29.826 6.583) 30.544 24.224 ( -0.000 3.356 -3.111) 4.576 25.365 ( -0.000 -0.174 -0.131) 0.217 25.391 ( -0.000 2.317 0.010) 2.317 26.488 ( -0.000 0.506 -4.860) 4.886 26.539 ( 0.000 -2.317 -0.376) 2.347 26.543 ( 0.000 -5.113 0.193) 5.117 27.117 ( -0.000 15.395 -3.719) 15.838 27.326 ( 0.000 -1.797 2.114) 2.775 27.363 ( -0.000 4.213 -1.986) 4.658 29.514 ( 0.000 -38.669 19.020) 43.093 29.832 ( 0.000 -11.013 -1.014) 11.060 34.063 ( 0.000 -2.496 8.836) 9.182 34.383 ( 0.000 24.345 10.524) 26.522 35.977 ( -0.000 4.287 -14.281) 14.911 36.008 ( -0.000 10.109 -12.118) 15.781 37.788 ( 0.000 -3.303 8.739) 9.343 38.296 ( -0.000 2.141 -4.761) 5.221 38.297 ( -0.000 -0.008 -2.846) 2.846 38.310 ( -0.000 33.501 -15.597) 36.953 41.185 ( 0.000 -26.522 5.325) 27.052 41.685 ( 0.000 -19.632 6.880) 20.802 44.415 ( -0.000 1.623 0.273) 1.645 44.837 ( -0.000 3.710 -0.207) 3.716 ======================= Grid point 283 (96/146) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 16.534 27.543 18.591) 37.116 1.800 ( 16.209 26.663 21.108) 37.672 2.196 ( 8.900 17.303 41.026) 45.406 2.800 ( 6.706 12.890 -20.357) 25.010 2.842 ( 8.450 13.034 -18.465) 24.130 3.371 ( -0.587 -0.535 -2.649) 2.766 3.533 ( -0.578 -1.657 -0.935) 1.988 3.743 ( 0.413 0.076 -8.395) 8.406 3.754 ( 1.933 2.493 8.046) 8.642 3.804 ( 1.462 3.964 5.827) 7.197 4.175 ( -0.676 -0.338 -2.150) 2.279 4.187 ( 0.264 -0.449 -1.974) 2.042 5.207 ( -1.253 -3.473 7.499) 8.359 6.058 ( -0.201 -2.436 -0.492) 2.493 6.137 ( 0.597 -2.798 -1.303) 3.144 6.280 ( -3.314 -3.408 -0.092) 4.754 6.389 ( -2.190 -0.535 -9.919) 10.172 6.861 ( -2.638 -2.653 -9.982) 10.660 8.182 ( 0.801 2.488 -0.211) 2.622 8.204 ( 2.172 2.674 -0.432) 3.472 8.980 ( -2.702 -4.721 3.069) 6.246 9.108 ( -0.798 -1.676 -0.229) 1.870 12.461 ( -2.981 -6.053 3.303) 7.513 12.952 ( -0.714 -1.413 1.472) 2.162 13.001 ( -0.112 -1.491 0.690) 1.647 13.093 ( 1.746 3.518 10.751) 11.446 13.931 ( -5.796 -10.062 11.943) 16.657 14.205 ( -1.216 -2.387 -15.385) 15.616 15.728 ( 0.599 1.358 -1.017) 1.799 15.756 ( 0.035 1.724 -1.468) 2.265 21.128 ( 1.031 -0.311 1.680) 1.995 21.328 ( 1.339 2.900 0.866) 3.309 21.801 ( 7.702 15.039 -1.559) 16.968 22.471 ( 2.761 0.818 9.446) 9.875 22.510 ( 1.839 1.353 2.829) 3.636 22.673 ( 1.395 1.284 -1.527) 2.434 23.488 ( -0.400 -17.186 -2.258) 17.338 24.233 ( -1.721 5.820 -2.682) 6.635 25.363 ( -0.431 0.473 0.609) 0.883 25.414 ( -0.619 3.183 0.072) 3.243 26.326 ( -12.511 -5.130 0.348) 13.527 26.444 ( -1.941 -3.216 -3.326) 5.018 26.547 ( -1.474 -0.560 -0.216) 1.592 27.121 ( -5.899 -6.047 6.708) 10.787 27.337 ( 1.046 -2.425 2.434) 3.591 27.586 ( 16.262 9.597 -11.111) 21.909 29.043 ( -21.393 -23.657 17.829) 36.540 29.641 ( -6.981 -15.107 -2.144) 16.779 34.193 ( 11.457 -1.310 8.728) 14.462 34.686 ( 4.255 26.703 7.315) 28.012 35.795 ( -10.592 8.017 -11.014) 17.256 36.310 ( 16.344 5.758 -3.542) 17.687 37.862 ( 7.636 -4.925 7.506) 11.786 38.233 ( -3.343 0.130 -5.052) 6.059 38.375 ( 5.656 2.492 -2.500) 6.667 38.581 ( 5.029 23.195 -20.075) 31.086 40.811 ( -13.390 -27.910 5.140) 31.380 41.400 ( -13.611 -18.570 6.506) 23.926 44.443 ( 1.097 2.008 0.136) 2.292 44.903 ( 2.873 4.952 -0.300) 5.732 ======================= Grid point 284 (97/146) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 15.601 18.113 20.953) 31.789 2.416 ( 22.374 22.450 13.964) 34.635 2.697 ( 15.895 21.387 24.293) 36.058 3.023 ( 11.493 14.008 -15.620) 23.922 3.084 ( 10.583 12.023 -12.020) 20.026 3.350 ( 0.123 0.590 -3.366) 3.419 3.504 ( -0.431 -1.692 -2.599) 3.131 3.729 ( 1.908 1.370 -10.257) 10.523 3.841 ( 2.402 2.648 6.343) 7.281 3.889 ( 2.054 3.239 4.618) 6.003 4.147 ( -1.593 -0.503 -1.795) 2.452 4.183 ( 0.545 -0.531 -1.612) 1.783 5.189 ( -0.392 -2.101 3.981) 4.518 6.020 ( -1.697 -2.170 -1.192) 3.001 6.085 ( -1.275 -7.013 -0.019) 7.128 6.186 ( -4.098 -2.594 0.123) 4.851 6.279 ( -5.252 -2.162 -7.974) 9.790 6.746 ( -4.614 -3.215 -5.319) 7.741 8.229 ( 1.778 2.864 -0.264) 3.382 8.274 ( 3.282 2.961 -0.822) 4.496 8.880 ( -4.467 -5.549 2.509) 7.553 9.036 ( -4.110 -4.903 0.738) 6.440 12.360 ( -3.410 -4.923 0.608) 6.019 12.921 ( -1.295 -1.410 -0.961) 2.142 12.979 ( -1.108 -1.842 1.469) 2.604 13.210 ( 3.443 3.494 11.203) 12.230 13.814 ( -4.154 -4.985 8.085) 10.368 14.107 ( -1.821 -2.194 -13.886) 14.176 15.753 ( 0.745 1.960 -0.548) 2.167 15.769 ( -0.036 1.276 0.940) 1.585 21.151 ( 1.561 0.141 -0.444) 1.628 21.386 ( 0.884 4.454 0.778) 4.607 21.972 ( 3.201 3.327 0.160) 4.620 22.529 ( -0.226 1.582 3.995) 4.303 22.666 ( 9.147 2.963 6.046) 11.358 22.728 ( 3.857 2.628 2.997) 5.547 23.407 ( 7.566 -3.930 -15.786) 17.941 24.273 ( -0.645 8.048 -1.434) 8.200 25.353 ( -2.858 0.438 2.839) 4.052 25.426 ( -1.476 2.722 0.844) 3.209 26.080 ( -9.126 -8.409 2.172) 12.599 26.325 ( -7.171 -7.128 3.591) 10.730 26.508 ( -3.812 1.973 0.323) 4.304 26.953 ( -6.206 -9.251 4.142) 11.885 27.337 ( 0.199 -0.889 2.034) 2.229 27.837 ( 10.949 2.847 -10.301) 15.300 28.617 ( -16.220 -9.749 11.897) 22.354 29.331 ( -10.421 -16.581 -3.509) 19.896 34.375 ( 3.522 5.573 6.715) 9.410 35.060 ( 17.185 9.719 -1.857) 19.830 35.751 ( -5.767 17.512 0.232) 18.438 36.602 ( 14.186 2.945 3.822) 14.984 37.957 ( 6.514 -4.464 5.485) 9.615 38.159 ( -3.682 0.662 -6.190) 7.233 38.503 ( 6.495 4.005 -2.123) 7.921 38.751 ( 2.557 12.432 -15.254) 19.844 40.319 ( -16.437 -24.246 -0.210) 29.293 40.978 ( -18.392 -17.305 5.964) 25.948 44.485 ( 1.615 1.942 0.035) 2.526 45.011 ( 4.282 4.939 -0.363) 6.547 ======================= Grid point 285 (98/146) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 11.787 10.903 20.205) 25.807 3.007 ( 20.778 18.589 8.006) 29.006 3.166 ( 0.049 2.018 1.238) 2.368 3.255 ( 15.071 16.511 7.427) 23.556 3.317 ( 12.364 13.407 -9.230) 20.440 3.438 ( 7.258 6.960 -8.359) 13.077 3.473 ( 0.290 -1.208 -3.722) 3.924 3.790 ( 6.322 4.827 -8.244) 11.456 3.915 ( 1.097 2.586 3.536) 4.516 3.958 ( 2.321 1.536 2.614) 3.818 4.096 ( -3.480 -0.937 -1.021) 3.746 4.186 ( 0.910 -0.345 -1.017) 1.408 5.173 ( -0.245 -1.887 -0.072) 1.905 5.922 ( -5.639 -4.350 -3.331) 7.862 5.997 ( -1.265 -7.274 1.254) 7.489 6.079 ( -5.427 -3.395 -1.294) 6.531 6.171 ( -3.581 -0.126 -1.004) 3.721 6.628 ( -4.602 -2.492 -1.027) 5.333 8.289 ( 2.266 2.884 -0.136) 3.670 8.357 ( 3.862 2.651 -1.080) 4.807 8.755 ( -5.043 -5.480 1.588) 7.615 8.898 ( -6.254 -6.223 1.141) 8.896 12.271 ( -2.332 -3.226 -1.341) 4.201 12.883 ( -1.183 -1.201 -1.598) 2.322 12.944 ( -1.779 -1.598 2.370) 3.367 13.330 ( 3.298 2.521 8.007) 9.019 13.745 ( -2.549 -2.741 3.860) 5.376 14.020 ( -1.369 -1.297 -10.573) 10.740 15.773 ( 0.067 0.591 0.833) 1.024 15.793 ( 0.297 2.018 2.619) 3.319 21.175 ( 1.389 0.663 -2.609) 3.029 21.441 ( -0.643 6.012 0.481) 6.065 22.013 ( 1.583 -0.527 -1.789) 2.446 22.543 ( -1.597 2.423 2.621) 3.910 22.778 ( 4.442 1.084 -2.517) 5.219 22.842 ( 3.560 -2.348 5.537) 6.989 23.591 ( 19.478 6.297 -17.573) 26.978 24.348 ( -0.295 9.281 0.347) 9.293 25.262 ( -9.985 -2.120 9.031) 13.629 25.430 ( -1.118 1.989 1.508) 2.735 25.907 ( -2.873 -9.008 0.908) 9.499 26.115 ( -10.149 -11.185 15.696) 21.783 26.459 ( -8.228 7.536 2.316) 11.395 26.820 ( 2.958 -12.289 -3.247) 13.050 27.343 ( -1.132 2.842 0.571) 3.112 27.937 ( 4.271 -0.085 -8.522) 9.533 28.398 ( -7.940 -3.367 6.006) 10.509 28.998 ( -9.316 -14.939 -4.705) 18.223 34.440 ( -5.776 10.280 -1.121) 11.844 35.354 ( 17.372 -5.471 -1.409) 18.268 35.960 ( 4.309 23.171 7.326) 24.681 36.848 ( 12.138 -1.281 7.668) 14.414 38.020 ( 3.021 -1.834 -0.689) 3.600 38.098 ( -2.266 2.235 -2.907) 4.311 38.606 ( 0.378 6.227 -8.818) 10.802 38.828 ( 2.427 3.916 -1.016) 4.718 39.843 ( -13.951 -19.635 -7.071) 25.103 40.560 ( -15.871 -13.942 6.485) 22.098 44.528 ( 1.496 1.521 -0.003) 2.133 45.121 ( 3.975 3.873 -0.301) 5.558 ======================= Grid point 286 (99/146) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 7.696 6.680 14.250) 17.519 3.055 ( -8.182 -3.566 0.969) 8.977 3.426 ( 0.780 -1.377 -5.827) 6.038 3.480 ( 15.509 13.737 3.319) 20.982 3.545 ( 5.105 4.210 -5.334) 8.499 3.586 ( 7.952 8.907 -4.502) 12.761 3.727 ( 13.422 13.760 3.224) 19.491 3.917 ( 2.884 3.039 -3.535) 5.481 3.932 ( -1.544 1.415 -0.203) 2.104 4.003 ( -5.978 -1.014 0.552) 6.088 4.026 ( 3.621 1.390 0.847) 3.970 4.200 ( 1.030 -0.064 0.301) 1.075 5.143 ( -0.564 -1.678 -3.152) 3.615 5.779 ( -4.427 -4.127 -3.419) 6.951 5.860 ( -4.693 -7.335 -2.223) 8.987 6.016 ( -0.908 -0.702 3.182) 3.383 6.134 ( -1.694 0.285 1.848) 2.523 6.559 ( -1.957 -0.718 2.724) 3.430 8.354 ( 2.420 2.535 0.354) 3.523 8.442 ( 4.355 2.025 -1.112) 4.930 8.632 ( -4.355 -4.396 0.352) 6.198 8.738 ( -6.305 -5.712 0.753) 8.541 12.218 ( -0.711 -1.550 -2.342) 2.898 12.853 ( -0.478 -1.068 -1.475) 1.882 12.911 ( -1.786 -0.756 2.763) 3.376 13.398 ( 0.434 0.546 2.915) 2.997 13.700 ( -1.639 -1.520 0.915) 2.415 13.983 ( 1.109 0.376 -5.728) 5.847 15.778 ( -0.332 -0.517 3.362) 3.418 15.825 ( 0.083 1.932 2.459) 3.128 21.189 ( 0.667 1.075 -4.218) 4.404 21.478 ( -2.460 6.923 0.198) 7.349 22.018 ( 1.388 -1.227 -4.003) 4.411 22.542 ( -2.233 2.397 1.987) 3.831 22.815 ( 1.095 -2.339 -6.131) 6.652 22.862 ( 1.175 1.358 -2.673) 3.220 23.949 ( 22.209 2.804 -14.221) 26.521 24.429 ( -0.919 8.496 2.495) 8.902 25.086 ( -11.364 -2.852 15.328) 19.293 25.434 ( -1.636 2.155 1.947) 3.333 25.774 ( -3.837 -12.968 12.554) 18.453 25.964 ( -3.355 -6.183 11.747) 13.692 26.403 ( -9.912 11.281 1.282) 15.072 26.797 ( 11.046 -15.242 -3.069) 19.072 27.352 ( -2.899 5.873 -1.847) 6.805 27.940 ( -0.136 -0.031 -7.075) 7.076 28.300 ( -2.467 -2.339 0.971) 3.535 28.747 ( -4.117 -10.173 -5.029) 12.072 34.391 ( -9.895 10.776 -7.594) 16.483 35.566 ( 11.760 -1.401 9.168) 14.977 36.262 ( 8.896 9.521 1.644) 13.134 37.000 ( 7.044 -8.184 10.638) 15.158 38.006 ( -4.181 6.589 -7.721) 10.978 38.133 ( 2.617 2.163 2.929) 4.484 38.555 ( -6.583 4.801 -11.970) 14.480 38.910 ( 2.483 0.240 6.219) 6.701 39.489 ( -5.414 -12.525 -11.457) 17.817 40.276 ( -7.556 -9.251 7.196) 13.945 44.559 ( 0.837 0.883 -0.033) 1.217 45.203 ( 2.348 2.278 -0.160) 3.275 ======================= Grid point 287 (100/146) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -13.477 -5.333 2.534) 14.714 3.201 ( 4.742 3.866 7.746) 9.870 3.409 ( 1.064 -0.989 -5.020) 5.226 3.611 ( 2.051 2.197 -3.822) 4.862 3.701 ( -8.540 -0.328 -1.343) 8.651 3.748 ( 2.482 3.744 -0.047) 4.492 3.847 ( 4.445 4.284 0.699) 6.212 3.905 ( -2.297 2.145 -1.472) 3.470 3.922 ( -4.432 0.375 -0.110) 4.449 3.988 ( -0.543 2.545 -1.358) 2.935 4.102 ( 4.092 2.151 0.296) 4.632 4.185 ( -3.244 -2.198 2.785) 4.807 5.110 ( -0.366 -0.834 -3.854) 3.960 5.704 ( 0.534 -1.639 -3.407) 3.819 5.777 ( 2.490 -2.122 -2.188) 3.936 6.029 ( 0.826 0.471 3.901) 4.015 6.130 ( 0.127 0.566 2.261) 2.334 6.571 ( 1.723 0.617 4.503) 4.861 8.413 ( 1.372 1.581 1.449) 2.546 8.527 ( 3.522 0.356 -1.397) 3.806 8.544 ( -1.574 -2.198 -1.131) 2.930 8.609 ( -2.969 -2.678 0.703) 4.059 12.203 ( 0.917 -0.164 -2.665) 2.823 12.839 ( 0.549 -1.043 -0.619) 1.332 12.894 ( -1.119 0.397 2.189) 2.491 13.370 ( -3.622 -1.311 -0.115) 3.854 13.666 ( -1.286 -0.811 -0.376) 1.566 14.027 ( 4.360 1.904 -2.815) 5.528 15.776 ( -0.564 -1.235 4.737) 4.928 15.845 ( -0.375 1.242 2.104) 2.472 21.188 ( -0.325 1.347 -4.853) 5.047 21.491 ( -3.914 6.704 0.079) 7.763 22.013 ( 1.140 -0.755 -5.098) 5.278 22.528 ( -2.377 1.263 1.567) 3.115 22.757 ( -2.538 -0.345 -9.152) 9.503 22.873 ( -0.865 1.363 -3.691) 4.028 24.153 ( 8.831 -8.376 -15.226) 19.493 24.485 ( -2.462 5.886 4.606) 7.869 25.048 ( 3.010 3.064 17.771) 18.283 25.429 ( -2.325 2.526 2.088) 4.019 25.667 ( -2.142 -10.165 21.505) 23.883 25.924 ( 0.679 -5.234 6.045) 8.025 26.367 ( -6.475 9.734 -1.304) 11.763 26.859 ( 12.150 -11.960 1.703) 17.134 27.332 ( -4.446 3.886 -3.918) 7.086 27.895 ( -2.959 1.326 -7.119) 7.822 28.296 ( 4.083 -0.189 -1.200) 4.260 28.645 ( 2.146 -4.832 -4.958) 7.248 34.291 ( -10.703 10.692 -8.849) 17.526 35.778 ( 7.356 4.118 14.769) 17.005 36.385 ( 4.484 -7.090 -4.651) 9.592 36.956 ( -3.887 -15.236 11.730) 19.617 37.949 ( -9.559 8.625 -6.021) 14.213 38.224 ( 0.840 7.270 2.853) 7.855 38.500 ( 1.465 4.163 -11.196) 12.034 38.925 ( 0.402 -2.049 3.297) 3.903 39.384 ( 5.090 -3.022 -10.267) 11.851 40.196 ( 2.832 -4.776 7.472) 9.309 44.571 ( -0.127 0.221 -0.046) 0.259 45.235 ( -0.102 0.616 -0.076) 0.629 ======================= Grid point 288 (101/146) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -17.998 -6.043 6.714) 20.137 3.292 ( 1.732 0.993 1.083) 2.271 3.347 ( -23.736 -7.100 0.001) 24.775 3.412 ( 0.499 0.113 -2.057) 2.120 3.601 ( -8.529 -1.998 0.206) 8.762 3.729 ( -11.427 -3.596 -2.211) 12.182 3.772 ( -4.609 -0.410 -2.265) 5.152 3.807 ( -5.305 -0.490 1.380) 5.503 3.929 ( -3.967 -0.150 -1.915) 4.408 4.036 ( 5.311 5.033 0.532) 7.336 4.079 ( -5.081 -3.456 1.014) 6.228 4.172 ( 1.222 0.587 -0.125) 1.362 5.090 ( -0.344 -0.021 -2.223) 2.250 5.747 ( 5.693 1.323 -2.877) 6.515 5.876 ( 8.597 2.175 -2.541) 9.224 6.070 ( 1.916 0.722 3.344) 3.921 6.176 ( 4.046 1.350 1.491) 4.519 6.644 ( 4.430 0.849 3.170) 5.513 8.398 ( -3.447 -0.769 0.762) 3.613 8.464 ( -4.248 -3.151 -1.214) 5.427 8.573 ( 5.030 1.429 -0.135) 5.230 8.691 ( 7.848 2.604 0.610) 8.291 12.225 ( 2.348 0.830 -2.597) 3.598 12.848 ( 1.544 -0.839 0.653) 1.874 12.897 ( -0.075 1.225 0.903) 1.524 13.272 ( -6.091 -1.997 0.958) 6.481 13.640 ( -1.089 -0.398 0.247) 1.185 14.124 ( 5.837 2.350 -3.740) 7.320 15.769 ( -0.682 -1.515 4.873) 5.149 15.849 ( -0.837 0.296 1.342) 1.609 21.172 ( -1.249 1.472 -4.369) 4.777 21.477 ( -4.762 5.317 0.188) 7.141 22.008 ( 0.530 0.167 -4.564) 4.598 22.496 ( -2.337 -1.177 1.708) 3.124 22.676 ( -5.574 3.188 -6.331) 9.018 22.834 ( -2.403 -0.924 -3.315) 4.198 24.009 ( -6.370 -10.417 -13.783) 18.414 24.487 ( -4.282 2.537 6.428) 8.130 25.302 ( 13.504 -0.453 9.203) 16.348 25.442 ( 2.130 3.729 4.398) 6.147 25.645 ( -1.173 -2.479 14.213) 14.475 25.944 ( 5.954 -5.610 11.601) 14.195 26.369 ( -1.684 6.469 -3.048) 7.347 26.964 ( 8.314 -5.012 5.191) 11.008 27.252 ( -4.211 -1.605 -5.230) 6.904 27.839 ( -3.072 3.935 -8.043) 9.467 28.398 ( 6.016 0.159 2.093) 6.371 28.705 ( 10.867 1.042 -6.526) 12.718 34.196 ( -10.092 11.101 -6.628) 16.402 35.970 ( 3.364 6.746 14.684) 16.506 36.231 ( -6.151 -19.773 -4.900) 21.280 36.708 ( -11.002 -14.206 8.422) 19.844 37.838 ( -9.071 6.340 -5.789) 12.490 38.281 ( -3.265 7.405 2.500) 8.471 38.539 ( 1.504 0.407 -9.368) 9.497 39.023 ( 10.519 1.835 5.384) 11.958 39.479 ( 10.414 4.258 -12.643) 16.925 40.316 ( 11.861 -1.575 7.320) 14.026 44.559 ( -1.146 -0.296 -0.022) 1.183 45.210 ( -2.851 -0.748 -0.137) 2.951 ======================= Grid point 294 (102/146) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.000 32.458 16.596) 36.455 2.011 ( 0.000 26.636 23.325) 35.405 2.440 ( 0.000 21.373 35.234) 41.210 2.824 ( -0.000 16.881 -18.715) 25.204 2.851 ( -0.000 17.263 -17.893) 24.864 3.362 ( -0.000 -0.410 -2.620) 2.652 3.513 ( -0.000 -2.473 -2.165) 3.287 3.706 ( -0.000 0.123 -10.536) 10.536 3.790 ( 0.000 2.639 7.618) 8.063 3.857 ( 0.000 4.922 5.767) 7.582 4.170 ( -0.000 -0.861 -2.102) 2.271 4.172 ( -0.000 -0.231 -2.007) 2.020 5.202 ( 0.000 -4.127 6.334) 7.559 6.023 ( 0.000 -4.065 -0.343) 4.080 6.107 ( 0.000 -2.821 -0.781) 2.927 6.268 ( 0.000 -4.367 -0.409) 4.386 6.369 ( -0.000 -1.551 -8.989) 9.122 6.825 ( -0.000 -2.680 -8.709) 9.112 8.205 ( -0.000 2.944 -0.455) 2.979 8.211 ( -0.000 3.690 -0.285) 3.702 8.960 ( 0.000 -6.223 2.868) 6.852 9.093 ( 0.000 -3.369 0.278) 3.381 12.429 ( 0.000 -7.542 2.596) 7.976 12.944 ( 0.000 -2.439 0.880) 2.593 12.992 ( 0.000 -1.172 0.690) 1.360 13.151 ( 0.000 3.853 11.313) 11.952 13.913 ( 0.000 -10.059 10.000) 14.184 14.139 ( -0.000 -2.607 -14.998) 15.223 15.740 ( -0.000 2.492 -0.081) 2.493 15.769 ( -0.000 2.259 -2.025) 3.034 21.116 ( 0.000 -1.066 1.423) 1.778 21.340 ( -0.000 2.565 0.745) 2.671 21.892 ( -0.000 14.056 -1.037) 14.094 22.506 ( 0.000 3.823 13.132) 13.677 22.509 ( 0.000 0.774 2.950) 3.050 22.670 ( -0.000 1.745 -1.680) 2.422 23.319 ( -0.000 -13.444 -5.831) 14.654 24.286 ( -0.000 5.326 -3.086) 6.156 25.372 ( 0.000 0.693 0.828) 1.080 25.457 ( -0.000 4.639 -0.753) 4.700 26.349 ( 0.000 -11.685 -1.089) 11.736 26.463 ( 0.000 -5.003 -1.440) 5.206 26.538 ( -0.000 4.272 -2.826) 5.122 27.158 ( 0.000 -7.221 7.444) 10.372 27.300 ( 0.000 -2.651 2.589) 3.706 27.497 ( -0.000 9.549 -6.058) 11.308 29.032 ( 0.000 -24.133 11.428) 26.702 29.522 ( 0.000 -19.786 -2.467) 19.939 34.075 ( 0.000 -2.522 8.779) 9.134 35.015 ( -0.000 33.614 6.158) 34.174 35.959 ( -0.000 3.976 -14.374) 14.914 36.188 ( -0.000 14.090 0.826) 14.115 37.781 ( 0.000 -3.601 8.730) 9.444 38.273 ( -0.000 -0.539 -2.817) 2.868 38.310 ( -0.000 2.783 -4.978) 5.703 38.709 ( -0.000 21.069 -15.945) 26.423 40.635 ( 0.000 -33.645 4.820) 33.989 41.336 ( 0.000 -21.722 4.103) 22.106 44.456 ( -0.000 2.428 0.077) 2.430 44.932 ( -0.000 6.163 -0.299) 6.170 ======================= Grid point 295 (103/146) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 7.399 24.007 18.954) 31.470 2.417 ( 11.670 25.078 17.379) 32.666 2.817 ( 6.749 24.442 23.994) 34.909 2.982 ( 5.664 18.053 -15.084) 24.197 3.032 ( 6.906 17.784 -13.579) 23.417 3.348 ( -0.332 0.301 -2.494) 2.534 3.475 ( -0.119 -3.145 -3.518) 4.720 3.683 ( 0.973 1.620 -10.737) 10.902 3.850 ( 1.647 2.290 5.799) 6.449 3.923 ( 0.358 4.434 3.997) 5.981 4.156 ( -0.136 -0.479 -1.818) 1.885 4.160 ( -0.043 -0.869 -1.614) 1.834 5.180 ( -0.237 -3.582 3.840) 5.257 5.984 ( 0.773 -5.529 0.030) 5.583 6.059 ( -1.919 -4.391 -0.368) 4.806 6.206 ( -2.235 -3.888 -0.761) 4.549 6.299 ( -2.632 -2.469 -6.958) 7.838 6.754 ( -2.257 -3.031 -5.682) 6.824 8.239 ( 0.735 3.545 -0.465) 3.651 8.262 ( 1.669 3.845 -0.533) 4.225 8.885 ( -2.399 -7.076 2.390) 7.845 9.036 ( -1.924 -6.072 0.826) 6.423 12.350 ( -1.749 -6.702 0.972) 6.994 12.916 ( -0.568 -2.444 -0.368) 2.536 12.980 ( -0.488 -1.246 1.155) 1.768 13.238 ( 1.706 3.419 10.711) 11.372 13.838 ( -2.321 -6.930 7.235) 10.284 14.061 ( -0.751 -2.127 -13.153) 13.345 15.769 ( 0.081 2.911 -0.226) 2.921 15.786 ( 0.169 2.247 -0.434) 2.294 21.122 ( 1.457 -0.836 0.472) 1.744 21.393 ( 2.844 3.117 0.487) 4.247 21.981 ( 0.224 3.626 0.029) 3.633 22.553 ( 2.675 1.578 2.386) 3.916 22.617 ( 1.660 4.210 11.008) 11.902 22.706 ( 2.736 1.799 3.672) 4.920 23.238 ( 3.399 -0.510 -13.408) 13.841 24.337 ( 0.786 7.024 -2.956) 7.661 25.386 ( 0.061 1.266 1.611) 2.050 25.490 ( -1.176 4.748 -1.007) 4.994 26.140 ( -8.765 -13.598 1.270) 16.228 26.400 ( -2.543 -1.547 -2.380) 3.811 26.536 ( -3.246 0.246 1.059) 3.423 27.014 ( -8.349 -8.820 3.806) 12.727 27.306 ( 2.020 -2.674 3.111) 4.573 27.662 ( 10.140 4.608 -4.075) 11.860 28.769 ( -10.262 -14.613 7.024) 19.188 29.267 ( -5.607 -21.476 -3.000) 22.398 34.216 ( 14.853 -2.265 8.325) 17.177 35.219 ( -11.180 25.795 -4.079) 28.408 35.980 ( 1.074 14.746 -2.067) 14.929 36.431 ( 9.705 9.016 3.543) 13.712 37.825 ( 5.522 -3.965 6.752) 9.581 38.207 ( -3.610 0.921 -5.452) 6.604 38.405 ( 7.616 1.804 -1.288) 7.932 38.831 ( -0.613 15.416 -13.314) 20.379 40.257 ( -8.319 -32.199 2.272) 33.334 41.051 ( -10.240 -20.915 2.892) 23.466 44.486 ( 0.797 2.382 0.014) 2.511 45.010 ( 2.132 6.192 -0.324) 6.556 ======================= Grid point 296 (104/146) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 8.243 13.714 19.992) 25.606 2.930 ( 15.894 23.065 9.401) 29.546 3.180 ( 3.525 7.598 -1.894) 8.587 3.252 ( 7.532 16.910 -0.097) 18.512 3.269 ( 9.423 19.594 -0.351) 21.745 3.384 ( 4.403 7.277 -5.988) 10.402 3.435 ( 1.003 -1.785 -3.544) 4.093 3.719 ( 4.449 5.250 -9.429) 11.674 3.919 ( 2.347 1.713 3.859) 4.830 3.971 ( -0.203 3.018 1.747) 3.493 4.133 ( -1.902 -0.049 -0.705) 2.029 4.156 ( 1.289 -1.184 -1.441) 2.268 5.153 ( -0.166 -3.106 0.865) 3.229 5.932 ( -0.399 -8.769 1.237) 8.865 5.957 ( -4.025 -4.490 -1.533) 6.222 6.118 ( -3.856 -3.117 -1.963) 5.333 6.212 ( -2.827 -1.539 -2.174) 3.884 6.666 ( -3.371 -2.499 -2.322) 4.796 8.290 ( 1.428 3.749 -0.347) 4.027 8.329 ( 2.436 3.293 -0.769) 4.168 8.773 ( -3.719 -7.044 1.643) 8.133 8.922 ( -4.210 -7.660 1.098) 8.809 12.265 ( -1.818 -4.699 -0.487) 5.062 12.880 ( -0.846 -2.054 -1.052) 2.458 12.960 ( -1.064 -1.140 1.611) 2.242 13.333 ( 2.440 2.368 8.080) 8.766 13.765 ( -2.233 -4.356 3.965) 6.300 13.992 ( -0.860 -1.090 -9.885) 9.982 15.785 ( -0.309 1.697 -0.949) 1.969 15.819 ( 0.379 2.605 2.262) 3.471 21.146 ( 1.819 -0.050 -0.881) 2.022 21.487 ( 3.138 5.454 0.177) 6.294 21.986 ( -0.066 -1.270 -0.760) 1.482 22.618 ( -0.479 4.970 2.186) 5.451 22.691 ( 4.350 -0.061 0.003) 4.350 22.782 ( 3.436 -3.669 8.771) 10.109 23.355 ( 10.138 9.590 -13.025) 19.090 24.426 ( 1.629 9.004 -2.569) 9.504 25.397 ( -2.447 1.719 3.917) 4.928 25.493 ( -3.146 3.335 0.761) 4.647 25.882 ( -6.435 -12.623 1.150) 14.215 26.274 ( -12.196 -3.329 8.473) 15.220 26.497 ( 2.589 -5.398 0.463) 6.005 26.791 ( -9.300 -5.606 -3.961) 11.558 27.336 ( 2.602 -1.290 2.809) 4.040 27.824 ( 7.309 1.704 -3.958) 8.485 28.530 ( -9.255 -5.913 5.030) 12.080 28.944 ( -7.122 -20.379 -4.313) 22.015 34.502 ( 14.335 2.479 6.494) 15.931 35.196 ( -6.457 12.082 -10.334) 17.160 36.205 ( 0.419 21.822 8.624) 23.468 36.651 ( 9.972 0.370 4.086) 10.783 37.910 ( 6.461 -2.372 2.267) 7.246 38.156 ( -2.338 3.415 -5.885) 7.194 38.565 ( 8.721 2.637 1.254) 9.197 38.885 ( -2.839 9.708 -8.390) 13.142 39.807 ( -11.049 -27.822 -2.248) 30.020 40.672 ( -13.654 -17.681 3.033) 22.545 44.523 ( 1.103 1.954 0.008) 2.244 45.106 ( 2.912 5.070 -0.288) 5.854 ======================= Grid point 297 (105/146) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 6.697 8.603 14.663) 18.272 3.151 ( -5.805 -1.798 1.603) 6.285 3.365 ( 1.884 -2.438 -6.089) 6.824 3.399 ( 13.538 16.818 4.097) 21.975 3.491 ( 5.703 7.828 -5.368) 11.073 3.543 ( 7.010 11.709 -6.218) 14.997 3.694 ( 10.460 17.394 5.844) 21.122 3.866 ( 6.944 7.820 -5.320) 11.733 3.979 ( -1.745 2.102 -0.356) 2.755 3.985 ( 2.944 0.434 2.155) 3.675 4.086 ( -3.947 0.296 0.401) 3.978 4.171 ( 2.038 -0.464 -0.781) 2.231 5.122 ( -0.282 -2.405 -1.507) 2.852 5.799 ( -4.704 -6.969 -0.580) 8.428 5.841 ( -3.511 -8.740 -1.312) 9.510 6.040 ( -2.066 -0.450 -0.136) 2.119 6.168 ( -1.638 -0.372 0.799) 1.860 6.594 ( -2.544 -1.249 0.779) 2.939 8.350 ( 1.606 3.419 0.076) 3.778 8.396 ( 3.021 2.066 -0.907) 3.771 8.652 ( -3.739 -5.826 0.671) 6.955 8.774 ( -5.178 -7.326 0.815) 9.008 12.205 ( -0.885 -2.542 -1.352) 3.013 12.846 ( -0.708 -1.575 -1.095) 2.045 12.937 ( -1.289 -0.741 1.859) 2.380 13.402 ( 1.230 0.879 3.744) 4.038 13.711 ( -1.516 -2.443 1.393) 3.195 13.955 ( 0.269 0.221 -5.534) 5.545 15.788 ( -0.387 0.424 0.568) 0.808 15.854 ( 0.003 2.083 2.609) 3.339 21.171 ( 1.350 0.747 -2.121) 2.623 21.585 ( 0.322 8.579 -0.146) 8.586 21.967 ( 0.897 -2.509 -2.492) 3.648 22.637 ( -3.451 5.392 0.576) 6.427 22.745 ( 3.026 -2.074 -1.544) 3.980 22.842 ( 3.330 2.064 2.509) 4.652 23.593 ( 15.507 1.171 -9.727) 18.343 24.527 ( 0.498 9.326 -1.684) 9.490 25.321 ( -11.382 1.254 11.765) 16.418 25.488 ( -0.868 3.047 0.950) 3.307 25.729 ( -0.902 -8.749 0.808) 8.833 26.049 ( -11.065 -8.326 14.671) 20.174 26.478 ( 5.656 -17.025 -6.045) 18.931 26.643 ( -6.026 8.539 -0.680) 10.474 27.369 ( 1.745 -1.443 -0.355) 2.292 27.916 ( 3.208 3.048 -3.582) 5.693 28.369 ( -7.784 -2.938 3.181) 8.907 28.662 ( -3.096 -15.937 -5.156) 17.034 34.673 ( -5.989 15.029 -2.810) 16.420 35.283 ( 14.748 -1.564 -0.337) 14.835 36.382 ( -4.634 14.574 7.356) 16.970 36.793 ( 9.968 -8.655 5.449) 14.282 38.012 ( 5.993 3.881 -3.664) 8.025 38.167 ( -0.615 6.486 -2.014) 6.819 38.692 ( -1.414 7.014 -3.892) 8.145 38.891 ( 0.185 1.584 3.266) 3.635 39.394 ( -7.235 -21.401 -7.863) 23.921 40.332 ( -10.235 -13.570 3.893) 17.437 44.556 ( 0.861 1.291 0.006) 1.551 45.190 ( 2.376 3.344 -0.178) 4.106 ======================= Grid point 298 (106/146) ======================= q-point: ( 0.73 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( -10.446 -2.757 3.903) 11.487 3.193 ( 3.920 4.208 6.571) 8.733 3.348 ( 2.505 -2.086 -5.264) 6.192 3.584 ( 2.854 3.638 -3.982) 6.102 3.727 ( 7.183 10.118 -0.267) 12.412 3.742 ( 5.518 8.248 0.307) 9.928 3.897 ( -3.801 1.588 -1.102) 4.264 3.953 ( -0.361 3.912 -1.008) 4.056 4.001 ( -0.276 2.650 0.086) 2.666 4.014 ( -1.395 3.884 -0.513) 4.158 4.062 ( 2.762 2.819 1.356) 4.173 4.203 ( 0.812 0.139 1.108) 1.381 5.094 ( -0.137 -1.074 -2.425) 2.655 5.677 ( -2.168 -4.899 -1.774) 5.643 5.714 ( -0.436 -6.117 -1.312) 6.271 6.036 ( 0.295 0.963 1.806) 2.068 6.148 ( -1.006 -0.191 1.570) 1.874 6.570 ( -0.079 -0.514 2.608) 2.660 8.406 ( 1.793 2.329 0.818) 3.051 8.463 ( 3.866 0.841 -0.902) 4.058 8.553 ( -2.839 -3.552 -0.415) 4.566 8.636 ( -4.154 -5.056 0.405) 6.556 12.180 ( 0.380 -0.745 -1.749) 1.938 12.823 ( -0.067 -1.095 -0.588) 1.245 12.919 ( -1.041 -0.238 1.669) 1.981 13.407 ( -1.718 -0.329 0.366) 1.787 13.677 ( -1.100 -1.036 -0.069) 1.512 13.974 ( 2.746 1.243 -2.268) 3.772 15.785 ( -0.415 -0.783 2.295) 2.460 15.873 ( -0.527 1.098 2.094) 2.422 21.188 ( 0.459 1.414 -2.840) 3.205 21.645 ( -3.840 9.902 -0.310) 10.625 21.959 ( 2.097 -1.730 -3.771) 4.649 22.617 ( -4.372 4.064 -0.379) 5.981 22.757 ( 0.316 0.844 -2.243) 2.417 22.908 ( -1.234 5.378 -0.805) 5.576 23.779 ( 16.836 -11.686 -10.790) 23.162 24.598 ( -1.462 7.454 0.777) 7.635 25.196 ( -9.855 1.712 17.113) 19.822 25.510 ( -2.198 4.919 1.147) 5.508 25.669 ( -0.208 -4.487 7.059) 8.367 25.890 ( -3.119 -9.516 8.800) 13.331 26.351 ( 4.878 -17.545 -8.758) 20.207 26.731 ( 1.848 11.001 5.978) 12.656 27.343 ( -0.565 -4.917 -4.970) 7.014 27.968 ( -1.883 6.550 -2.598) 7.293 28.252 ( -1.908 -2.374 -0.022) 3.046 28.524 ( 2.377 -9.624 -4.039) 10.704 34.626 ( -15.002 18.907 -7.475) 25.266 35.584 ( 21.054 -4.182 8.331) 23.026 36.364 ( -7.828 1.337 -0.089) 7.942 36.828 ( 4.625 -15.137 7.986) 17.728 38.156 ( -0.943 12.156 -4.076) 12.855 38.230 ( 3.780 7.091 -0.215) 8.038 38.614 ( -10.609 6.844 -4.381) 13.363 38.909 ( -1.174 -5.058 3.088) 6.042 39.199 ( 6.608 -9.056 -8.267) 13.929 40.134 ( -1.758 -9.644 4.594) 10.826 44.574 ( 0.206 0.606 -0.005) 0.640 45.240 ( 0.804 1.597 -0.095) 1.791 ======================= Grid point 299 (107/146) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -14.748 -2.520 7.520) 16.745 3.258 ( 2.313 -1.017 -2.249) 3.383 3.383 ( 2.632 1.545 -0.670) 3.124 3.630 ( -1.376 1.761 -2.076) 3.050 3.657 ( -15.111 -1.733 -0.308) 15.213 3.830 ( -1.123 3.760 0.080) 3.925 3.870 ( -3.622 -0.086 -1.190) 3.813 3.920 ( -8.339 0.735 -1.022) 8.434 4.001 ( -2.461 2.994 -0.060) 3.876 4.021 ( 1.050 3.762 0.121) 3.908 4.111 ( -1.601 -1.851 -0.179) 2.454 4.178 ( -2.017 -0.024 1.809) 2.709 5.085 ( 0.308 0.501 -1.781) 1.875 5.656 ( 4.210 -1.325 -1.746) 4.747 5.738 ( 7.588 -0.629 -1.844) 7.834 6.065 ( 0.873 0.948 2.008) 2.386 6.146 ( 0.875 -0.508 1.497) 1.807 6.594 ( 2.594 -0.854 2.156) 3.479 8.442 ( -0.931 0.287 0.916) 1.337 8.481 ( -2.269 -2.900 -1.338) 3.917 8.516 ( 2.450 0.209 -0.554) 2.521 8.602 ( 4.451 0.357 1.043) 4.585 12.190 ( 1.633 0.498 -1.922) 2.571 12.822 ( 0.942 -0.631 0.341) 1.184 12.911 ( -0.402 0.110 0.967) 1.053 13.351 ( -4.487 -0.572 0.533) 4.554 13.654 ( -0.888 -0.186 -0.002) 0.908 14.043 ( 4.712 1.494 -2.598) 5.585 15.776 ( -0.404 -1.644 3.599) 3.977 15.871 ( -1.041 0.010 1.014) 1.453 21.193 ( -0.593 1.905 -2.902) 3.522 21.642 ( -6.655 8.036 -0.271) 10.438 21.976 ( 2.073 0.443 -3.956) 4.488 22.572 ( -5.185 2.649 1.611) 6.042 22.758 ( -1.751 3.272 -1.913) 4.175 22.880 ( -5.304 2.260 -3.724) 6.864 23.843 ( 8.993 -11.633 -11.843) 18.880 24.618 ( -4.340 4.549 4.054) 7.480 25.178 ( 1.874 -3.176 16.973) 17.369 25.506 ( -3.686 3.704 1.593) 5.463 25.682 ( 0.231 0.978 4.354) 4.468 25.819 ( 3.398 -10.502 8.495) 13.928 26.294 ( 7.825 -10.335 -6.274) 14.402 26.914 ( 3.942 11.354 8.473) 14.705 27.225 ( -2.498 -9.170 -8.133) 12.509 27.943 ( -5.762 5.814 -2.951) 8.701 28.304 ( 6.285 1.489 0.698) 6.496 28.517 ( 7.578 -4.586 -4.755) 10.053 34.530 ( -15.145 18.386 -5.272) 24.397 35.876 ( 15.674 -9.673 7.551) 19.907 36.192 ( -9.187 -1.336 -2.417) 9.593 36.712 ( -3.471 -16.276 8.816) 18.833 38.083 ( -13.126 6.955 -1.916) 14.978 38.430 ( 4.522 10.543 -0.527) 11.484 38.517 ( -7.340 4.649 -5.233) 10.143 38.877 ( 6.978 -4.415 1.926) 8.479 39.297 ( 10.895 0.695 -8.539) 13.860 40.127 ( 8.010 -6.572 5.111) 11.552 44.573 ( -0.647 0.098 0.003) 0.654 45.243 ( -1.445 0.266 -0.137) 1.476 ======================= Grid point 306 (108/146) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.000 16.993 22.766) 28.409 2.619 ( 0.000 29.669 11.468) 31.809 3.063 ( -0.000 17.475 -5.394) 18.288 3.077 ( 0.000 25.709 12.107) 28.417 3.115 ( -0.000 20.576 -12.254) 23.949 3.349 ( -0.000 1.453 -2.417) 2.820 3.427 ( -0.000 -4.202 -4.280) 5.998 3.660 ( -0.000 2.920 -10.368) 10.771 3.873 ( 0.000 1.594 4.689) 4.953 3.975 ( 0.000 4.377 2.299) 4.944 4.131 ( -0.000 -2.074 -1.783) 2.735 4.160 ( -0.000 0.193 -0.949) 0.968 5.157 ( 0.000 -3.983 2.961) 4.963 5.918 ( 0.000 -6.896 0.313) 6.903 6.035 ( 0.000 -4.835 0.559) 4.868 6.184 ( 0.000 -3.627 -1.124) 3.797 6.271 ( -0.000 -2.993 -5.780) 6.509 6.726 ( -0.000 -2.866 -4.967) 5.735 8.264 ( -0.000 3.649 -0.829) 3.742 8.290 ( -0.000 4.768 -0.228) 4.773 8.841 ( 0.000 -7.908 2.095) 8.181 8.990 ( 0.000 -7.654 1.010) 7.721 12.302 ( 0.000 -6.574 0.731) 6.614 12.894 ( 0.000 -2.757 -0.306) 2.774 12.979 ( 0.000 -0.851 1.030) 1.336 13.287 ( 0.000 2.746 9.443) 9.834 13.812 ( 0.000 -6.609 5.377) 8.520 14.009 ( -0.000 -1.452 -11.041) 11.136 15.801 ( -0.000 2.320 -1.779) 2.923 15.802 ( -0.000 3.439 0.655) 3.501 21.100 ( 0.000 -1.230 0.918) 1.535 21.387 ( -0.000 1.886 0.212) 1.897 22.001 ( 0.000 -0.186 0.279) 0.335 22.538 ( 0.000 0.506 1.826) 1.895 22.685 ( 0.000 -2.529 17.705) 17.885 22.705 ( -0.000 2.739 -0.611) 2.807 23.231 ( -0.000 14.695 -12.167) 19.078 24.378 ( -0.000 6.443 -3.653) 7.407 25.402 ( 0.000 1.551 1.490) 2.151 25.535 ( -0.000 4.224 -3.876) 5.733 26.088 ( 0.000 -14.466 0.015) 14.466 26.340 ( 0.000 -6.404 -1.853) 6.667 26.639 ( -0.000 7.278 0.759) 7.318 27.018 ( 0.000 -10.061 -0.173) 10.062 27.261 ( 0.000 -3.349 2.824) 4.380 27.615 ( 0.000 4.577 2.588) 5.258 28.711 ( 0.000 -15.077 -0.204) 15.078 29.104 ( 0.000 -21.610 0.052) 21.610 34.084 ( 0.000 -2.644 8.488) 8.891 35.638 ( -0.000 29.651 -2.630) 29.767 35.937 ( -0.000 3.987 -14.288) 14.834 36.565 ( 0.000 19.999 13.164) 23.943 37.770 ( 0.000 -3.719 8.575) 9.346 38.242 ( -0.000 -0.640 -2.683) 2.758 38.322 ( -0.000 1.334 -4.033) 4.248 38.935 ( -0.000 13.028 -11.043) 17.078 40.018 ( 0.000 -33.484 3.528) 33.669 40.937 ( 0.000 -21.093 0.153) 21.094 44.503 ( -0.000 2.389 -0.029) 2.389 45.052 ( -0.000 6.384 -0.286) 6.390 ======================= Grid point 307 (109/146) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.821 ( 3.419 13.175 18.920) 23.307 2.991 ( 8.208 25.190 8.685) 27.881 3.197 ( 1.917 8.164 -4.512) 9.523 3.304 ( 3.332 17.878 -8.157) 19.932 3.333 ( 1.803 3.208 -1.737) 4.069 3.381 ( 1.573 5.921 -4.144) 7.396 3.440 ( 3.890 17.476 7.491) 19.408 3.684 ( 2.484 6.144 -9.063) 11.227 3.909 ( 1.479 0.495 3.351) 3.696 4.013 ( -0.493 3.461 0.180) 3.500 4.110 ( 1.087 -2.854 -1.456) 3.383 4.157 ( -0.724 0.859 -0.003) 1.123 5.128 ( -0.096 -3.573 1.689) 3.953 5.854 ( 0.295 -8.046 1.002) 8.114 5.962 ( -2.728 -6.477 0.387) 7.039 6.133 ( -2.003 -2.607 -2.072) 3.886 6.217 ( -1.142 -2.349 -2.989) 3.969 6.674 ( -1.538 -2.155 -3.427) 4.330 8.304 ( 0.982 3.839 -0.899) 4.063 8.341 ( 0.575 4.595 -0.215) 4.636 8.754 ( -1.998 -7.845 1.613) 8.254 8.899 ( -2.017 -8.757 1.076) 9.051 12.240 ( -0.847 -4.937 0.297) 5.018 12.866 ( -0.308 -2.351 -0.417) 2.408 12.969 ( -0.585 -0.777 0.810) 1.266 13.348 ( 1.257 1.641 7.164) 7.456 13.760 ( -1.092 -5.016 3.208) 6.053 13.965 ( -0.326 -0.353 -7.893) 7.908 15.808 ( -0.727 2.052 -1.601) 2.703 15.842 ( 0.621 2.831 0.660) 2.973 21.110 ( 1.866 -0.671 0.801) 2.138 21.446 ( 4.916 2.243 0.066) 5.403 21.980 ( -0.912 -2.191 0.338) 2.397 22.578 ( 3.734 0.136 -0.012) 3.736 22.710 ( 2.805 -5.459 12.586) 14.002 22.725 ( -0.681 2.547 -0.008) 2.636 23.388 ( 0.221 20.459 -6.247) 21.393 24.450 ( 2.719 6.978 -3.994) 8.487 25.426 ( 0.451 1.536 1.264) 2.039 25.546 ( -0.012 1.812 -5.664) 5.947 25.885 ( -7.606 -12.599 2.318) 14.898 26.313 ( 3.246 -5.475 -2.243) 6.748 26.597 ( -14.068 1.989 8.125) 16.367 26.842 ( -5.551 -6.382 -10.741) 13.671 27.281 ( 3.435 -2.573 4.522) 6.235 27.725 ( 6.341 2.507 3.181) 7.524 28.552 ( -2.181 -11.197 -2.462) 11.671 28.862 ( -6.417 -18.294 1.492) 19.444 34.222 ( 15.629 -2.793 7.965) 17.762 35.583 ( -19.866 19.115 -11.321) 29.803 36.197 ( 15.973 9.073 -4.333) 18.874 36.757 ( -5.458 17.987 12.261) 22.442 37.807 ( 4.952 -2.341 6.500) 8.500 38.194 ( -1.993 1.395 -5.435) 5.954 38.417 ( 9.745 -0.718 0.986) 9.821 38.994 ( -1.858 9.742 -8.914) 13.335 39.674 ( -6.200 -29.767 3.123) 30.566 40.681 ( -7.555 -18.078 -0.824) 19.610 44.529 ( 0.551 2.013 -0.021) 2.087 45.120 ( 1.344 5.415 -0.232) 5.584 ======================= Grid point 308 (110/146) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 4.359 9.056 12.788) 16.265 3.212 ( -1.840 -0.727 -0.289) 2.000 3.286 ( 0.253 -5.109 -3.998) 6.492 3.387 ( 10.384 19.174 4.749) 22.316 3.476 ( 3.475 8.344 -4.616) 10.149 3.543 ( 5.584 14.665 -5.716) 16.701 3.741 ( 6.282 16.340 6.287) 18.600 3.817 ( 6.902 10.405 -5.525) 13.654 3.949 ( 2.233 -0.880 2.290) 3.317 4.024 ( -1.307 2.504 -1.320) 3.118 4.103 ( 1.833 -2.861 -0.847) 3.502 4.155 ( -1.069 2.002 0.433) 2.310 5.099 ( -0.150 -2.589 0.445) 2.632 5.774 ( -1.362 -8.280 1.545) 8.533 5.829 ( -4.774 -8.068 -0.419) 9.384 6.069 ( -2.285 -0.543 -2.310) 3.294 6.181 ( -0.714 -1.047 -0.433) 1.339 6.619 ( -2.004 -1.246 -1.444) 2.766 8.359 ( 1.573 3.727 -0.770) 4.118 8.388 ( 0.520 3.372 -0.187) 3.417 8.649 ( -2.727 -6.629 0.972) 7.234 8.774 ( -3.476 -8.329 0.830) 9.063 12.190 ( -0.723 -2.767 -0.044) 2.861 12.838 ( -0.527 -1.648 -0.382) 1.771 12.952 ( -0.852 -0.743 0.532) 1.250 13.400 ( 1.363 0.391 3.862) 4.115 13.711 ( -1.019 -3.098 1.465) 3.576 13.942 ( -0.102 0.791 -4.243) 4.317 15.805 ( -0.867 1.079 -1.093) 1.763 15.876 ( 0.397 1.785 0.833) 2.010 21.144 ( 2.045 0.303 0.233) 2.080 21.582 ( 7.324 4.337 0.095) 8.512 21.941 ( -1.143 -2.228 -0.178) 2.511 22.640 ( 4.182 -1.788 -0.658) 4.595 22.733 ( 0.483 1.257 -0.285) 1.376 22.800 ( 5.748 2.881 7.089) 9.571 23.513 ( -2.639 10.456 -2.497) 11.069 24.561 ( 3.676 7.161 -4.014) 8.995 25.457 ( 1.517 1.835 0.913) 2.550 25.531 ( -1.395 -0.199 -3.174) 3.472 25.680 ( -5.284 -7.388 2.715) 9.480 26.273 ( -4.155 -4.726 -0.935) 6.362 26.291 ( -15.835 -12.292 6.477) 21.067 26.743 ( -1.029 4.481 -9.506) 10.559 27.318 ( 1.636 -3.198 4.573) 5.816 27.863 ( 6.240 3.370 1.246) 7.200 28.429 ( -0.912 -8.120 -1.869) 8.382 28.585 ( -9.140 -12.667 1.062) 15.656 34.554 ( 22.797 -1.401 6.803) 23.832 35.410 ( -17.386 17.447 -10.771) 26.883 36.456 ( 11.042 -0.951 1.205) 11.148 36.784 ( -11.109 9.940 6.294) 16.181 37.934 ( 7.550 4.395 2.371) 9.052 38.199 ( 1.773 4.271 -4.649) 6.557 38.606 ( 12.408 -0.659 3.770) 12.985 38.997 ( -4.478 6.899 -5.593) 9.947 39.295 ( -9.263 -23.879 0.983) 25.631 40.376 ( -10.084 -13.838 -0.339) 17.126 44.556 ( 0.686 1.383 0.003) 1.543 45.189 ( 1.698 3.728 -0.136) 4.099 ======================= Grid point 309 (111/146) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -6.483 -1.006 3.964) 7.665 3.180 ( 2.250 -0.935 -1.038) 2.649 3.270 ( 3.573 0.890 0.730) 3.753 3.565 ( 2.635 4.456 -2.827) 5.898 3.707 ( 7.896 11.928 2.116) 14.461 3.742 ( 4.901 10.359 -2.202) 11.670 3.940 ( 3.659 5.780 0.359) 6.850 3.961 ( -0.003 -1.792 0.468) 1.852 4.008 ( 3.824 6.380 -0.285) 7.444 4.023 ( 0.108 1.447 -0.507) 1.537 4.109 ( -0.091 1.008 0.257) 1.044 4.183 ( 2.076 3.513 -0.023) 4.081 5.080 ( -0.036 -1.045 -0.408) 1.122 5.672 ( -4.159 -7.484 -0.682) 8.590 5.674 ( -2.425 -5.586 0.669) 6.126 6.048 ( -0.156 1.213 -0.640) 1.380 6.163 ( -0.755 -0.724 0.389) 1.116 6.579 ( -1.248 -0.915 0.220) 1.563 8.415 ( 0.239 2.847 0.439) 2.890 8.421 ( 2.135 1.590 -0.852) 2.796 8.558 ( -2.114 -4.077 0.232) 4.598 8.648 ( -3.432 -6.034 0.350) 6.950 12.166 ( -0.049 -0.810 -0.326) 0.875 12.817 ( -0.427 -0.929 -0.232) 1.048 12.933 ( -0.763 -0.669 0.429) 1.102 13.420 ( 0.067 -0.423 0.878) 0.977 13.680 ( -0.604 -1.365 0.333) 1.529 13.950 ( 0.952 1.489 -1.314) 2.203 15.794 ( -0.782 -0.171 -0.031) 0.801 15.892 ( -0.125 0.509 0.730) 0.899 21.179 ( 1.349 1.137 -0.434) 1.817 21.741 ( 4.258 7.370 0.094) 8.512 21.905 ( -0.248 -2.276 -0.941) 2.476 22.671 ( 1.138 0.189 -0.970) 1.507 22.760 ( 0.760 1.975 0.102) 2.119 22.998 ( 6.304 11.746 3.221) 13.715 23.465 ( -1.572 -9.041 -3.202) 9.719 24.657 ( 1.699 5.610 -2.538) 6.387 25.441 ( -9.463 0.034 8.528) 12.739 25.557 ( 5.730 5.849 -1.573) 8.337 25.617 ( 1.599 -2.042 -1.489) 2.991 25.940 ( -12.403 -12.631 6.659) 18.913 26.111 ( -3.566 -13.607 -5.753) 15.197 26.819 ( 3.198 10.088 -1.217) 10.652 27.284 ( -1.366 -6.674 0.614) 6.840 28.004 ( 4.770 6.776 -0.041) 8.287 28.335 ( -7.689 -2.507 1.750) 8.274 28.371 ( 0.642 -10.872 -2.708) 11.222 34.917 ( 11.317 8.891 1.638) 14.485 35.303 ( -3.311 6.030 -3.305) 7.633 36.534 ( -0.739 -4.831 2.350) 5.423 36.661 ( -5.656 -4.098 1.691) 7.186 38.145 ( 8.299 11.589 -0.793) 14.276 38.289 ( 2.962 6.441 -1.056) 7.168 38.802 ( 5.624 4.532 0.667) 7.253 38.911 ( -10.316 -6.893 6.521) 14.016 38.988 ( -0.072 -9.817 -8.454) 12.956 40.119 ( -6.834 -9.875 0.684) 12.029 44.575 ( 0.405 0.704 0.004) 0.812 45.240 ( 1.143 1.955 -0.048) 2.265 ======================= Grid point 310 (112/146) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( -10.602 -0.586 7.437) 12.964 3.170 ( 3.388 -5.218 -5.962) 8.617 3.361 ( 2.876 3.691 0.245) 4.686 3.628 ( 1.578 2.683 -1.075) 3.293 3.830 ( -3.676 1.449 0.170) 3.955 3.873 ( 2.209 5.171 0.580) 5.653 3.907 ( -3.236 -0.333 -0.935) 3.385 4.003 ( -0.437 2.319 -0.847) 2.508 4.033 ( -0.419 2.029 0.124) 2.076 4.054 ( -0.120 0.420 -0.084) 0.444 4.122 ( -0.594 0.868 0.013) 1.052 4.233 ( -1.849 1.214 0.983) 2.420 5.080 ( 0.520 0.778 -0.637) 1.133 5.587 ( 0.908 -2.585 -0.584) 2.802 5.632 ( 2.533 -1.844 -0.688) 3.207 6.069 ( 0.677 1.447 0.558) 1.692 6.140 ( -0.761 -1.657 0.767) 1.978 6.563 ( 0.360 -1.414 0.703) 1.620 8.431 ( 0.857 -0.282 0.137) 0.913 8.479 ( 2.531 1.745 -0.146) 3.078 8.504 ( -2.025 -1.197 -0.483) 2.401 8.567 ( -0.595 -2.521 0.527) 2.643 12.170 ( 0.807 0.568 -0.701) 1.210 12.808 ( 0.231 -0.379 0.115) 0.458 12.918 ( -0.490 -0.601 0.382) 0.864 13.402 ( -1.862 -0.316 0.188) 1.898 13.664 ( -0.513 -0.198 -0.061) 0.553 13.990 ( 2.487 1.459 -0.912) 3.025 15.778 ( -0.515 -1.332 1.303) 1.934 15.886 ( -0.759 -0.592 0.391) 1.039 21.205 ( 0.391 1.715 -0.998) 2.022 21.809 ( -4.951 5.833 0.776) 7.690 21.917 ( 4.414 0.196 -2.629) 5.141 22.680 ( -2.051 3.826 -0.525) 4.373 22.784 ( 0.094 1.080 -0.115) 1.090 23.073 ( -13.948 6.440 3.521) 15.762 23.463 ( 19.372 -7.771 -8.449) 22.517 24.706 ( -0.495 3.261 1.148) 3.492 25.286 ( -10.181 -5.672 14.606) 18.686 25.604 ( 0.815 -9.447 -7.220) 11.918 25.645 ( -4.858 5.800 0.252) 7.570 25.779 ( -2.468 0.012 3.662) 4.416 25.984 ( 12.048 -11.807 -1.277) 16.917 27.001 ( 4.459 12.971 3.113) 14.065 27.154 ( -3.798 -10.201 -3.950) 11.580 28.093 ( -5.098 6.016 -0.650) 7.913 28.244 ( 2.066 0.263 1.757) 2.725 28.343 ( 5.648 -5.328 -3.257) 8.420 34.971 ( -16.994 20.244 -3.604) 26.676 35.469 ( 20.624 -12.579 2.935) 24.335 36.375 ( -11.079 2.050 -1.114) 11.322 36.590 ( 2.927 -13.627 5.053) 14.826 38.331 ( -7.483 6.356 0.682) 9.842 38.386 ( 6.736 8.990 -3.231) 11.689 38.691 ( -1.038 -6.925 2.673) 7.496 38.811 ( -9.175 5.596 -1.704) 10.881 39.069 ( 13.584 -2.139 -3.654) 14.229 39.996 ( 1.127 -6.412 1.825) 6.761 44.581 ( -0.142 0.201 0.009) 0.247 45.260 ( -0.186 0.615 -0.060) 0.645 ======================= Grid point 318 (113/146) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 0.000 10.825 15.133) 18.606 3.185 ( -0.000 23.462 6.710) 24.402 3.210 ( -0.000 -1.481 -5.349) 5.551 3.295 ( -0.000 -1.545 -1.024) 1.853 3.424 ( -0.000 8.554 -3.796) 9.359 3.431 ( -0.000 18.627 -6.628) 19.771 3.629 ( 0.000 19.674 7.801) 21.164 3.701 ( -0.000 8.349 -7.089) 10.953 3.904 ( 0.000 -1.158 2.577) 2.825 4.046 ( -0.000 2.971 -1.462) 3.311 4.061 ( 0.000 -4.438 -1.350) 4.638 4.177 ( 0.000 1.936 0.786) 2.089 5.102 ( 0.000 -3.270 2.182) 3.931 5.782 ( 0.000 -7.413 1.329) 7.531 5.920 ( 0.000 -7.859 0.980) 7.920 6.120 ( -0.000 -1.944 -2.169) 2.912 6.193 ( -0.000 -2.067 -2.688) 3.391 6.657 ( -0.000 -1.249 -3.903) 4.098 8.330 ( -0.000 3.991 -1.097) 4.139 8.384 ( -0.000 5.163 -0.055) 5.163 8.701 ( 0.000 -7.793 1.455) 7.927 8.833 ( 0.000 -9.216 1.014) 9.271 12.206 ( 0.000 -3.883 0.891) 3.983 12.847 ( 0.000 -1.901 0.075) 1.903 12.968 ( 0.000 -0.844 -0.093) 0.850 13.370 ( 0.000 0.529 5.500) 5.526 13.732 ( 0.000 -4.426 2.100) 4.899 13.947 ( -0.000 0.739 -5.117) 5.170 15.830 ( -0.000 1.870 -1.639) 2.487 15.859 ( -0.000 2.270 -1.033) 2.494 21.090 ( 0.000 -0.706 2.049) 2.168 21.414 ( -0.000 1.041 -0.063) 1.043 21.969 ( 0.000 -2.505 1.629) 2.988 22.549 ( 0.000 -0.060 0.171) 0.182 22.655 ( 0.000 -6.766 10.541) 12.525 22.760 ( 0.000 2.758 0.998) 2.933 23.608 ( -0.000 23.949 -0.465) 23.954 24.467 ( -0.000 5.697 -4.998) 7.578 25.439 ( -0.000 1.279 0.429) 1.349 25.493 ( -0.000 -4.887 -11.798) 12.770 25.878 ( 0.000 -6.919 3.995) 7.990 26.218 ( 0.000 -5.077 -0.317) 5.087 26.766 ( -0.000 -6.928 -20.490) 21.629 26.824 ( 0.000 5.888 9.460) 11.143 27.215 ( 0.000 -3.370 2.673) 4.302 27.710 ( 0.000 1.458 8.180) 8.309 28.430 ( 0.000 -12.401 -4.229) 13.103 28.785 ( 0.000 -12.887 4.420) 13.624 34.088 ( 0.000 -2.835 8.059) 8.543 35.920 ( -0.000 4.347 -14.006) 14.665 36.092 ( -0.000 20.989 -3.877) 21.344 37.044 ( 0.000 19.809 9.831) 22.114 37.757 ( 0.000 -3.612 8.308) 9.059 38.216 ( -0.000 -0.262 -2.501) 2.515 38.292 ( 0.000 -3.102 -0.470) 3.137 39.055 ( -0.000 6.007 -8.795) 10.651 39.483 ( 0.000 -24.323 7.362) 25.412 40.577 ( 0.000 -15.055 -3.185) 15.388 44.542 ( -0.000 1.705 -0.022) 1.705 45.158 ( -0.000 4.688 -0.156) 4.691 ======================= Grid point 319 (114/146) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 1.715 7.481 7.649) 10.835 3.144 ( 1.427 -7.358 -6.640) 10.013 3.291 ( -1.406 0.052 4.615) 4.825 3.452 ( 5.178 18.204 4.068) 19.359 3.498 ( 1.406 6.927 -2.904) 7.642 3.599 ( 2.776 15.016 -4.345) 15.876 3.798 ( 3.184 8.246 -0.885) 8.883 3.832 ( 3.380 13.201 1.912) 13.760 3.906 ( 1.841 -2.836 1.944) 3.900 4.024 ( 1.748 -5.323 -1.027) 5.696 4.061 ( -0.568 2.575 -2.039) 3.333 4.198 ( -0.690 2.947 0.561) 3.078 5.082 ( -0.052 -2.308 2.156) 3.158 5.722 ( -0.279 -6.122 1.911) 6.420 5.822 ( -3.127 -7.626 0.955) 8.297 6.085 ( -1.405 -0.681 -2.875) 3.272 6.171 ( 0.105 -1.136 -1.474) 1.864 6.628 ( -1.047 -0.368 -3.401) 3.577 8.371 ( 0.814 3.901 -1.185) 4.157 8.429 ( -0.438 4.816 0.079) 4.836 8.623 ( -1.439 -6.734 1.184) 6.987 8.737 ( -1.582 -8.486 0.783) 8.667 12.178 ( -0.360 -2.108 1.227) 2.466 12.831 ( -0.272 -1.129 0.423) 1.236 12.954 ( -0.393 -0.997 -0.976) 1.449 13.392 ( 0.866 -0.716 3.271) 3.459 13.697 ( -0.392 -3.036 1.182) 3.282 13.946 ( -0.135 1.880 -2.183) 2.884 15.828 ( -1.135 1.219 -1.916) 2.539 15.878 ( 0.780 1.098 -1.557) 2.059 21.114 ( 2.145 -0.026 2.504) 3.297 21.479 ( 6.685 1.192 0.052) 6.790 21.947 ( -0.981 -1.548 2.393) 3.014 22.565 ( 2.425 -1.041 -0.193) 2.646 22.671 ( 4.183 -3.593 7.120) 9.006 22.796 ( 1.125 2.440 2.427) 3.621 23.763 ( -7.383 17.529 3.537) 19.347 24.532 ( 3.918 4.776 -5.553) 8.306 25.388 ( 1.175 -6.274 -11.504) 13.156 25.474 ( 2.692 -0.323 -2.769) 3.876 25.778 ( -7.242 -2.505 4.918) 9.105 26.191 ( -0.099 -5.122 -3.483) 6.195 26.551 ( -10.226 -9.681 -5.156) 14.996 26.781 ( -7.934 8.229 -7.721) 13.794 27.274 ( 4.470 -1.858 6.088) 7.778 27.794 ( 5.599 1.008 6.284) 8.477 28.318 ( 0.172 -9.420 -1.401) 9.525 28.649 ( -6.155 -7.170 3.845) 10.202 34.219 ( 15.476 -3.024 7.512) 17.467 35.808 ( -12.612 13.428 -12.845) 22.458 36.299 ( 5.345 4.161 -0.788) 6.819 37.111 ( -12.429 10.147 1.578) 16.123 37.849 ( 9.704 2.497 6.986) 12.215 38.181 ( 0.121 0.635 -3.398) 3.459 38.385 ( 11.528 -3.912 4.164) 12.866 39.047 ( -0.915 -0.773 -7.744) 7.836 39.279 ( -6.747 -11.991 8.943) 16.410 40.391 ( -6.217 -10.299 -3.697) 12.586 44.559 ( 0.367 1.133 0.002) 1.192 45.202 ( 0.777 3.176 -0.062) 3.270 ======================= Grid point 320 (115/146) ======================= q-point: ( 0.73 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 2.773 -9.337 -7.730) 12.435 3.213 ( -0.597 2.552 1.652) 3.098 3.292 ( -0.738 3.204 6.936) 7.675 3.564 ( 1.791 4.395 -0.758) 4.806 3.710 ( 6.201 11.294 2.095) 13.054 3.760 ( 3.590 8.958 -2.182) 9.894 3.886 ( 3.363 -2.665 1.133) 4.438 3.942 ( 3.412 1.398 1.173) 3.870 3.999 ( 3.961 5.042 0.474) 6.429 4.013 ( 2.650 -3.586 -0.294) 4.468 4.077 ( 1.002 2.911 -1.514) 3.430 4.212 ( -0.403 2.271 -0.653) 2.397 5.073 ( 0.027 -0.802 1.573) 1.766 5.662 ( -2.230 -4.299 1.338) 5.024 5.699 ( -4.640 -3.858 1.345) 6.182 6.058 ( -0.539 0.878 -2.404) 2.616 6.161 ( -0.044 -0.741 -0.891) 1.159 6.594 ( -1.553 -0.073 -2.118) 2.627 8.416 ( 0.902 2.992 -1.136) 3.325 8.456 ( -1.242 3.679 0.404) 3.904 8.547 ( -1.393 -4.628 0.838) 4.906 8.637 ( -2.142 -5.915 0.219) 6.295 12.165 ( -0.266 -0.325 1.196) 1.267 12.819 ( -0.571 -0.417 0.341) 0.785 12.934 ( -0.354 -0.949 -1.125) 1.514 13.404 ( 1.026 -1.638 1.042) 2.196 13.673 ( -0.173 -1.570 0.548) 1.672 13.962 ( -0.144 2.699 0.126) 2.706 15.807 ( -1.270 0.060 -2.019) 2.386 15.890 ( 0.508 -0.057 -1.120) 1.231 21.163 ( 2.104 0.733 2.037) 3.019 21.642 ( 10.613 1.617 0.242) 10.738 21.927 ( -1.755 0.217 2.545) 3.099 22.610 ( 4.392 -1.424 0.745) 4.677 22.742 ( 3.532 0.283 0.922) 3.662 22.889 ( 8.220 1.226 2.718) 8.744 23.689 ( -17.395 6.757 6.655) 19.812 24.630 ( 4.867 3.265 -4.969) 7.684 25.354 ( 5.879 -5.561 -13.760) 15.963 25.522 ( 4.229 0.803 -1.111) 4.445 25.668 ( -5.643 0.116 4.832) 7.430 26.003 ( -9.993 -9.465 -10.789) 17.489 26.268 ( -17.308 -3.208 7.215) 19.024 26.805 ( 5.242 8.115 -8.780) 13.054 27.282 ( -2.741 -4.819 7.127) 9.030 27.943 ( 8.416 2.174 2.230) 8.974 28.251 ( 0.201 -4.569 0.029) 4.573 28.489 ( -9.111 -2.323 2.888) 9.837 34.555 ( 24.919 -2.940 6.335) 25.879 35.675 ( -17.576 16.905 -9.546) 26.188 36.352 ( 5.568 -8.942 2.251) 10.772 36.892 ( -16.524 -1.139 -4.461) 17.154 38.119 ( 11.694 9.431 3.452) 15.414 38.231 ( 4.761 2.402 -0.780) 5.389 38.575 ( 14.236 -4.542 3.153) 15.272 38.935 ( -5.540 -8.558 -1.811) 10.354 39.130 ( -8.885 3.725 4.896) 10.807 40.173 ( -8.957 -5.786 -3.084) 11.100 44.574 ( 0.433 0.481 0.001) 0.647 45.239 ( 0.983 1.471 0.032) 1.769 ======================= Grid point 330 (116/146) ======================= q-point: ( 0.64 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -0.000 -11.316 -7.806) 13.747 3.188 ( 0.000 6.295 2.606) 6.813 3.328 ( 0.000 1.067 6.919) 7.001 3.535 ( -0.000 4.906 -1.133) 5.035 3.578 ( -0.000 13.560 3.128) 13.916 3.693 ( -0.000 10.899 -2.768) 11.245 3.838 ( -0.000 5.252 0.386) 5.267 3.848 ( 0.000 -5.628 0.768) 5.680 3.909 ( -0.000 6.776 1.739) 6.996 3.950 ( 0.000 -5.745 -0.523) 5.768 4.084 ( -0.000 2.671 -1.547) 3.087 4.227 ( -0.000 1.448 -0.791) 1.650 5.073 ( 0.000 -1.523 3.129) 3.480 5.687 ( 0.000 -3.244 2.483) 4.085 5.793 ( 0.000 -4.545 1.565) 4.807 6.082 ( -0.000 -0.265 -3.106) 3.117 6.155 ( -0.000 -0.472 -1.895) 1.953 6.625 ( -0.000 0.821 -4.339) 4.416 8.397 ( -0.000 3.881 -1.426) 4.135 8.483 ( -0.000 5.204 0.270) 5.211 8.579 ( 0.000 -5.716 1.272) 5.856 8.675 ( 0.000 -7.497 0.565) 7.518 12.172 ( 0.000 -0.822 2.138) 2.291 12.829 ( 0.000 -0.301 1.097) 1.138 12.940 ( -0.000 -1.250 -2.357) 2.668 13.380 ( 0.000 -2.130 2.111) 2.999 13.678 ( 0.000 -2.309 0.818) 2.450 13.967 ( -0.000 3.146 0.079) 3.147 15.847 ( -0.000 1.059 -1.576) 1.899 15.863 ( -0.000 -0.052 -4.030) 4.030 21.104 ( 0.000 0.012 4.009) 4.009 21.427 ( -0.000 0.364 -0.075) 0.372 21.956 ( 0.000 -0.769 4.252) 4.321 22.540 ( -0.000 -0.506 -1.162) 1.267 22.624 ( 0.000 -3.793 10.141) 10.827 22.812 ( 0.000 1.318 2.352) 2.696 24.005 ( 0.000 13.100 7.544) 15.117 24.512 ( -0.000 2.876 -6.624) 7.222 25.271 ( -0.000 -4.173 -16.175) 16.704 25.442 ( -0.000 -0.549 -1.954) 2.029 25.841 ( 0.000 -2.129 3.300) 3.927 26.168 ( 0.000 -0.699 2.540) 2.635 26.425 ( -0.000 -9.382 -28.364) 29.876 27.023 ( 0.000 7.956 3.083) 8.532 27.177 ( 0.000 -2.243 2.358) 3.255 27.769 ( 0.000 -1.758 9.500) 9.661 28.264 ( 0.000 -2.859 2.978) 4.129 28.656 ( 0.000 -4.406 3.639) 5.715 34.085 ( 0.000 -3.044 7.620) 8.206 35.915 ( -0.000 4.915 -13.646) 14.505 36.374 ( -0.000 9.717 0.264) 9.720 37.298 ( -0.000 1.738 -8.414) 8.592 37.746 ( 0.000 -3.286 8.034) 8.680 38.201 ( -0.000 0.496 -2.324) 2.376 38.265 ( 0.000 0.927 10.140) 10.183 39.005 ( -0.000 -3.916 -3.915) 5.538 39.301 ( 0.000 -2.562 8.466) 8.845 40.355 ( -0.000 -4.874 -5.293) 7.195 44.565 ( -0.000 0.622 0.028) 0.623 45.220 ( -0.000 1.829 0.012) 1.829 ======================= Grid point 331 (117/146) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.886 ( 2.226 -13.322 -7.838) 15.616 3.244 ( 0.364 3.755 -0.677) 3.833 3.356 ( -0.916 1.969 6.045) 6.423 3.581 ( 0.873 3.352 1.307) 3.702 3.688 ( 4.598 -5.854 1.107) 7.526 3.747 ( 1.691 2.885 0.095) 3.346 3.852 ( 0.792 4.505 -0.239) 4.580 3.894 ( 3.102 0.170 0.773) 3.202 3.920 ( 2.887 -3.814 0.173) 4.786 3.974 ( 2.732 0.650 1.311) 3.099 4.105 ( -0.286 3.159 -0.388) 3.196 4.212 ( -0.359 -2.640 -2.463) 3.628 5.075 ( 0.025 -0.425 2.994) 3.024 5.673 ( -1.056 -0.273 2.601) 2.821 5.755 ( -2.925 0.967 2.015) 3.681 6.066 ( -0.591 0.810 -3.296) 3.445 6.151 ( 0.187 0.287 -1.711) 1.745 6.614 ( -1.102 1.612 -3.838) 4.306 8.429 ( 0.595 2.328 -1.593) 2.883 8.515 ( -1.389 2.409 0.973) 2.946 8.531 ( -1.077 -2.860 1.298) 3.320 8.614 ( -0.742 -2.945 -0.345) 3.057 12.177 ( -0.255 0.591 2.414) 2.499 12.830 ( -0.565 0.361 1.044) 1.241 12.920 ( 0.110 -1.042 -2.639) 2.840 13.366 ( 0.899 -3.434 0.673) 3.613 13.662 ( 0.010 -1.439 0.448) 1.507 14.003 ( -0.364 4.236 1.880) 4.649 15.820 ( -1.559 -0.361 -3.747) 4.075 15.868 ( 1.126 -0.276 -2.316) 2.590 21.141 ( 2.176 0.310 4.191) 4.732 21.491 ( 7.446 -0.010 0.074) 7.446 21.963 ( -0.713 0.413 4.679) 4.751 22.541 ( 1.816 -1.340 -0.835) 2.407 22.671 ( 4.673 -1.897 7.467) 9.011 22.838 ( 1.352 -0.087 3.060) 3.346 24.020 ( -10.871 2.802 10.756) 15.547 24.547 ( 4.512 1.044 -6.620) 8.079 25.222 ( 1.031 2.587 -16.179) 16.417 25.453 ( 3.060 -0.621 -2.523) 4.015 25.761 ( -6.004 -2.734 -0.086) 6.598 26.053 ( -9.043 -3.142 -15.015) 17.808 26.371 ( 4.964 -3.478 -3.268) 6.886 26.889 ( -11.822 6.613 -4.574) 14.297 27.281 ( 3.253 -2.459 6.365) 7.559 27.825 ( 5.847 -2.095 6.377) 8.902 28.271 ( -1.290 3.721 3.595) 5.333 28.600 ( -4.962 -0.842 3.599) 6.187 34.210 ( 15.150 -3.124 7.051) 17.000 35.926 ( -0.642 8.917 -14.120) 16.712 36.338 ( -9.588 -2.120 4.733) 10.900 37.072 ( -13.365 -10.093 -10.804) 19.930 37.897 ( 14.953 -3.844 4.152) 15.988 38.243 ( 4.255 6.022 -0.496) 7.390 38.390 ( 5.772 2.168 9.884) 11.650 38.952 ( -2.675 -0.953 -2.093) 3.528 39.289 ( -4.200 2.702 8.077) 9.496 40.263 ( -6.298 0.226 -5.589) 8.423 44.570 ( 0.275 0.001 0.028) 0.277 45.235 ( 0.573 0.197 0.088) 0.612 ======================= Grid point 342 (118/146) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -0.000 -16.619 -7.440) 18.208 3.271 ( -0.000 3.278 -1.779) 3.730 3.396 ( 0.000 1.229 4.110) 4.290 3.513 ( 0.000 -19.842 0.386) 19.846 3.604 ( 0.000 1.108 2.295) 2.549 3.763 ( -0.000 1.822 -0.259) 1.841 3.817 ( 0.000 -9.685 0.980) 9.734 3.842 ( 0.000 -6.259 1.174) 6.369 3.939 ( -0.000 9.758 -1.005) 9.810 3.940 ( 0.000 -3.257 2.138) 3.896 4.129 ( 0.000 -0.553 0.666) 0.866 4.170 ( -0.000 -2.494 -3.066) 3.953 5.082 ( 0.000 -0.228 3.239) 3.247 5.707 ( 0.000 3.193 3.277) 4.575 5.819 ( 0.000 5.718 2.369) 6.189 6.070 ( -0.000 1.423 -3.687) 3.952 6.155 ( -0.000 2.302 -1.860) 2.959 6.633 ( -0.000 3.229 -4.251) 5.338 8.420 ( -0.000 -1.802 -1.261) 2.200 8.517 ( 0.000 -4.906 1.511) 5.134 8.544 ( -0.000 2.487 0.776) 2.606 8.636 ( -0.000 6.115 -0.821) 6.170 12.199 ( 0.000 1.640 2.955) 3.380 12.848 ( 0.000 1.160 1.761) 2.109 12.897 ( -0.000 -0.808 -3.666) 3.754 13.318 ( 0.000 -5.130 -0.127) 5.131 13.650 ( 0.000 -1.213 0.149) 1.222 14.062 ( 0.000 5.523 3.313) 6.441 15.812 ( -0.000 -1.516 -5.692) 5.891 15.848 ( -0.000 0.144 -1.547) 1.554 21.138 ( 0.000 0.018 5.166) 5.166 21.426 ( -0.000 -0.446 -0.278) 0.526 21.989 ( 0.000 0.352 5.439) 5.450 22.517 ( -0.000 -0.828 -1.850) 2.027 22.631 ( 0.000 -3.572 10.068) 10.683 22.835 ( 0.000 -0.919 3.006) 3.143 24.120 ( 0.000 -8.243 12.970) 15.367 24.485 ( -0.000 -0.510 -7.471) 7.488 25.260 ( -0.000 15.243 -14.785) 21.235 25.404 ( -0.000 -1.407 -2.394) 2.776 25.775 ( -0.000 -5.813 -5.097) 7.731 26.105 ( -0.000 -2.044 -27.056) 27.134 26.217 ( 0.000 3.301 3.286) 4.658 27.126 ( -0.000 1.707 -0.508) 1.781 27.167 ( 0.000 -0.333 2.162) 2.188 27.784 ( 0.000 -2.777 10.369) 10.734 28.353 ( -0.000 7.521 2.700) 7.991 28.664 ( 0.000 3.097 5.089) 5.958 34.076 ( 0.000 -3.199 7.303) 7.972 35.922 ( -0.000 5.454 -13.393) 14.461 36.444 ( 0.000 -4.525 3.686) 5.837 37.001 ( -0.000 -19.873 -14.085) 24.358 37.742 ( 0.000 -2.830 7.868) 8.361 38.204 ( -0.000 1.397 -2.184) 2.593 38.462 ( 0.000 7.006 11.787) 13.712 38.989 ( -0.000 5.961 -4.013) 7.186 39.384 ( 0.000 4.570 10.911) 11.830 40.326 ( -0.000 5.810 -6.838) 8.973 44.565 ( 0.000 -0.606 0.049) 0.608 45.224 ( 0.000 -1.446 0.117) 1.451 ======================= Grid point 403 (119/146) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 -0.000 33.530) 33.530 1.040 ( 0.000 -0.000 33.530) 33.530 1.892 ( 0.000 -0.000 56.180) 56.180 2.546 ( -0.000 0.000 -24.838) 24.838 2.546 ( -0.000 0.000 -24.838) 24.838 3.386 ( -0.000 0.000 -2.934) 2.934 3.580 ( -0.000 0.000 -2.602) 2.602 3.698 ( 0.000 -0.000 10.382) 10.382 3.698 ( 0.000 -0.000 10.382) 10.382 3.765 ( -0.000 0.000 -10.245) 10.245 4.188 ( -0.000 0.000 -2.390) 2.390 4.188 ( -0.000 0.000 -2.390) 2.390 5.365 ( 0.000 -0.000 4.617) 4.617 6.096 ( -0.000 0.000 -0.444) 0.444 6.096 ( -0.000 0.000 -0.444) 0.444 6.365 ( -0.000 0.000 -0.325) 0.325 6.365 ( -0.000 0.000 -0.325) 0.325 6.906 ( -0.000 0.000 -17.187) 17.187 8.142 ( 0.000 0.000 -0.007) 0.007 8.142 ( -0.000 0.000 -0.007) 0.007 9.073 ( 0.000 -0.000 3.342) 3.342 9.073 ( 0.000 -0.000 3.342) 3.342 12.611 ( 0.000 -0.000 6.388) 6.388 12.987 ( 0.000 -0.000 14.953) 14.953 13.018 ( -0.000 0.000 -0.188) 0.188 13.018 ( -0.000 0.000 -0.188) 0.188 14.252 ( -0.000 0.000 -16.864) 16.864 14.331 ( -0.000 0.000 -2.366) 2.366 15.713 ( -0.000 0.000 -2.632) 2.632 15.713 ( -0.000 0.000 -2.632) 2.632 21.129 ( 0.000 -0.000 4.092) 4.092 21.273 ( 0.000 -0.000 0.344) 0.344 21.273 ( 0.000 -0.000 0.344) 0.344 22.489 ( 0.000 -0.000 3.266) 3.266 22.489 ( 0.000 -0.000 3.266) 3.266 22.644 ( -0.000 0.000 -1.863) 1.863 24.166 ( -0.000 0.000 -3.618) 3.618 24.166 ( -0.000 0.000 -3.618) 3.618 25.371 ( -0.000 0.000 -0.366) 0.366 25.371 ( -0.000 0.000 -0.366) 0.366 26.557 ( 0.000 -0.000 0.017) 0.017 26.557 ( -0.000 -0.000 0.017) 0.017 26.597 ( 0.000 -0.000 0.265) 0.265 26.723 ( -0.000 0.000 -0.108) 0.108 27.358 ( 0.000 -0.000 2.038) 2.038 27.358 ( 0.000 -0.000 2.038) 2.038 29.929 ( -0.000 0.000 -0.433) 0.433 30.059 ( 0.000 -0.000 0.188) 0.188 34.152 ( 0.000 -0.000 10.813) 10.813 34.152 ( 0.000 -0.000 10.813) 10.813 35.832 ( -0.000 0.000 -16.032) 16.032 35.832 ( -0.000 0.000 -16.032) 16.032 37.883 ( 0.000 -0.000 9.887) 9.887 37.883 ( 0.000 -0.000 9.887) 9.887 38.274 ( -0.000 0.000 -4.206) 4.206 38.274 ( -0.000 0.000 -4.206) 4.206 41.453 ( 0.000 -0.000 1.186) 1.186 41.937 ( -0.000 0.000 -1.464) 1.464 44.401 ( 0.000 -0.000 0.385) 0.385 44.802 ( -0.000 0.000 -0.180) 0.180 ======================= Grid point 404 (120/146) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 21.446 12.382 26.232) 36.075 1.457 ( 22.862 13.199 26.048) 37.086 2.161 ( 7.684 4.437 49.708) 50.494 2.549 ( 8.397 4.848 -24.298) 26.161 2.585 ( 10.257 5.922 -22.669) 25.576 3.370 ( -0.467 -0.270 -3.098) 3.144 3.553 ( -1.240 -0.716 -1.960) 2.427 3.714 ( -0.418 -0.241 -9.674) 9.686 3.751 ( 1.700 0.981 9.006) 9.217 3.770 ( 2.594 1.498 6.426) 7.090 4.173 ( -0.452 -0.261 -2.397) 2.453 4.183 ( 0.150 0.087 -2.355) 2.361 5.302 ( -4.870 -2.812 7.290) 9.207 6.085 ( -1.007 -0.581 -0.555) 1.288 6.141 ( 2.560 1.478 -2.169) 3.666 6.328 ( -3.137 -1.811 -0.132) 3.625 6.366 ( -0.655 -0.378 -5.228) 5.283 6.846 ( -0.775 -0.447 -13.828) 13.857 8.152 ( 1.110 0.641 0.010) 1.281 8.166 ( 2.006 1.158 -0.261) 2.331 9.051 ( -2.916 -1.684 3.104) 4.579 9.110 ( 1.243 0.718 1.098) 1.807 12.569 ( -5.143 -2.969 5.148) 7.859 12.983 ( -1.812 -1.046 2.002) 2.896 13.019 ( -0.182 -0.105 -0.195) 0.287 13.080 ( 2.724 1.573 12.811) 13.192 14.151 ( -12.211 -7.050 6.190) 15.399 14.180 ( -1.281 -0.740 -17.042) 17.106 15.707 ( 0.650 0.375 -2.075) 2.207 15.725 ( 1.222 0.706 -1.991) 2.440 21.140 ( -0.050 -0.029 2.901) 2.901 21.293 ( 1.496 0.864 0.658) 1.849 21.513 ( 18.120 10.462 -1.943) 21.014 22.487 ( 0.108 0.063 4.874) 4.876 22.510 ( 0.517 0.299 2.993) 3.052 22.649 ( 1.076 0.621 -1.787) 2.177 23.849 ( -20.198 -11.661 1.799) 23.392 24.146 ( 0.497 0.287 -2.601) 2.664 25.359 ( -0.271 -0.156 0.451) 0.549 25.382 ( 0.631 0.364 -0.251) 0.770 26.370 ( -7.804 -4.505 -0.867) 9.052 26.524 ( -2.652 -1.531 -0.204) 3.069 26.556 ( -3.084 -1.781 -0.107) 3.563 27.134 ( 13.069 7.545 -0.588) 15.102 27.370 ( -0.195 -0.113 1.650) 1.666 27.375 ( 8.256 4.766 -3.883) 10.293 29.575 ( -34.690 -20.028 13.227) 42.184 29.833 ( -9.111 -5.260 -0.965) 10.565 34.249 ( 2.691 1.554 10.017) 10.488 34.335 ( 15.858 9.156 10.012) 20.870 35.681 ( -4.336 -2.503 -13.508) 14.406 36.119 ( 19.987 11.539 -13.312) 26.643 37.972 ( 2.274 1.313 9.490) 9.847 38.119 ( 17.275 9.973 -7.466) 21.298 38.223 ( -2.107 -1.216 -5.535) 6.046 38.324 ( 4.924 2.843 -2.825) 6.349 41.223 ( -20.011 -11.554 2.451) 23.237 41.709 ( -17.313 -9.996 4.657) 20.526 44.417 ( 1.308 0.755 0.268) 1.534 44.836 ( 3.193 1.844 -0.176) 3.691 ======================= Grid point 405 (121/146) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 25.456 14.697 19.242) 35.132 2.094 ( 27.263 15.740 17.808) 36.168 2.540 ( 13.406 7.740 37.328) 40.410 2.737 ( 15.170 8.759 -20.146) 26.697 2.820 ( 16.357 9.444 -16.801) 25.279 3.346 ( -0.818 -0.472 -2.577) 2.745 3.519 ( -1.254 -0.724 -2.213) 2.645 3.674 ( 0.670 0.387 -12.413) 12.438 3.825 ( 2.420 1.397 6.756) 7.311 3.857 ( 3.149 1.818 5.607) 6.683 4.151 ( -0.974 -0.563 -2.041) 2.330 4.179 ( 0.272 0.157 -2.036) 2.060 5.241 ( -2.779 -1.604 5.204) 6.113 6.048 ( -2.192 -1.266 -1.124) 2.769 6.164 ( 0.097 0.056 -0.587) 0.598 6.233 ( -5.404 -3.120 0.621) 6.271 6.289 ( -3.960 -2.286 -8.420) 9.582 6.771 ( -2.954 -1.706 -7.565) 8.299 8.189 ( 2.206 1.274 0.014) 2.547 8.224 ( 3.378 1.950 -0.695) 3.962 8.971 ( -5.204 -3.005 2.552) 6.529 9.098 ( -2.788 -1.610 0.464) 3.253 12.450 ( -6.305 -3.640 2.234) 7.615 12.944 ( -1.995 -1.152 -0.089) 2.305 13.006 ( -1.033 -0.596 0.238) 1.216 13.196 ( 3.681 2.125 12.908) 13.590 13.944 ( -8.676 -5.009 8.192) 12.941 14.088 ( -1.873 -1.082 -15.560) 15.710 15.724 ( 1.370 0.791 -0.909) 1.825 15.750 ( 1.338 0.773 -0.253) 1.566 21.149 ( 0.323 0.186 0.482) 0.610 21.335 ( 1.910 1.103 0.944) 2.398 21.870 ( 11.688 6.748 0.006) 13.497 22.527 ( 0.110 0.064 2.405) 2.408 22.600 ( 9.741 5.624 7.406) 13.468 22.682 ( 2.532 1.462 -1.757) 3.411 23.495 ( -10.208 -5.894 -9.464) 15.117 24.172 ( 2.310 1.334 -0.225) 2.677 25.360 ( -0.402 -0.232 2.367) 2.412 25.396 ( 0.697 0.403 0.201) 0.830 26.199 ( -8.507 -4.912 2.297) 10.088 26.445 ( -4.296 -2.480 -0.859) 5.034 26.490 ( -3.039 -1.755 1.062) 3.667 27.111 ( -7.917 -4.571 6.930) 11.472 27.359 ( -1.269 -0.733 0.897) 1.719 27.686 ( 14.704 8.489 -12.140) 20.872 28.918 ( -27.073 -15.631 14.924) 34.641 29.563 ( -14.516 -8.381 -2.569) 16.957 34.323 ( 1.385 0.800 5.195) 5.435 34.846 ( 26.333 15.203 8.162) 31.483 35.569 ( -2.448 -1.414 -6.172) 6.789 36.489 ( 16.213 9.360 -3.339) 19.016 38.042 ( 1.424 0.822 7.861) 8.031 38.148 ( -2.810 -1.623 -6.430) 7.203 38.371 ( 8.421 4.862 -13.265) 16.447 38.511 ( 12.335 7.122 -4.327) 14.886 40.706 ( -25.962 -14.989 1.338) 30.008 41.291 ( -21.920 -12.656 6.000) 26.013 44.455 ( 2.043 1.180 0.104) 2.362 44.931 ( 5.308 3.064 -0.258) 6.134 ======================= Grid point 406 (122/146) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 18.517 10.691 18.280) 28.130 2.722 ( 25.184 14.540 11.196) 31.161 2.996 ( 19.100 11.027 21.014) 30.463 3.047 ( 17.739 10.242 -13.693) 24.639 3.113 ( 11.140 6.432 -8.320) 15.320 3.332 ( 1.994 1.151 -3.879) 4.511 3.482 ( -1.211 -0.699 -3.341) 3.621 3.684 ( 4.718 2.724 -12.053) 13.227 3.893 ( 1.922 1.110 4.037) 4.607 3.938 ( 2.758 1.592 3.686) 4.871 4.113 ( -2.118 -1.223 -1.279) 2.761 4.182 ( 0.511 0.295 -1.507) 1.619 5.203 ( -1.909 -1.102 0.922) 2.390 5.971 ( -4.560 -2.633 -2.943) 6.032 6.118 ( -4.874 -2.814 2.755) 6.266 6.140 ( -5.136 -2.965 -1.332) 6.078 6.161 ( -2.302 -1.329 -4.024) 4.823 6.671 ( -4.290 -2.477 -2.197) 5.419 8.245 ( 2.896 1.672 0.110) 3.346 8.305 ( 4.126 2.382 -0.990) 4.866 8.849 ( -6.422 -3.708 1.666) 7.601 8.996 ( -6.436 -3.716 0.777) 7.472 12.328 ( -4.912 -2.836 -0.482) 5.693 12.899 ( -1.812 -1.046 -0.976) 2.309 12.977 ( -1.764 -1.018 1.216) 2.372 13.316 ( 3.516 2.030 9.585) 10.410 13.817 ( -5.284 -3.050 4.935) 7.847 14.002 ( -1.503 -0.868 -12.070) 12.195 15.758 ( 1.699 0.981 0.313) 1.986 15.779 ( 0.936 0.540 2.030) 2.300 21.156 ( 0.591 0.341 -2.104) 2.212 21.377 ( 1.615 0.932 0.834) 2.043 22.002 ( 2.177 1.257 -0.276) 2.529 22.532 ( -0.272 -0.157 2.008) 2.033 22.742 ( 3.363 1.942 -2.187) 4.457 22.866 ( 5.973 3.448 10.398) 12.477 23.399 ( 9.711 5.607 -23.397) 25.945 24.243 ( 3.659 2.112 2.976) 5.167 25.334 ( -4.134 -2.387 7.348) 8.762 25.412 ( 0.506 0.292 0.934) 1.102 26.029 ( -7.175 -4.142 2.538) 8.665 26.340 ( -4.606 -2.659 -1.706) 5.586 26.406 ( -7.714 -4.454 13.386) 16.078 26.966 ( -4.882 -2.819 1.922) 5.956 27.321 ( -2.291 -1.323 -0.247) 2.657 27.871 ( 6.316 3.647 -11.534) 13.646 28.526 ( -13.265 -7.659 9.561) 18.057 29.215 ( -15.507 -8.953 -4.328) 18.421 34.334 ( -0.915 -0.528 -2.504) 2.718 35.468 ( 27.301 15.762 5.518) 32.003 35.546 ( 0.700 0.404 4.264) 4.340 36.806 ( 12.907 7.452 2.864) 15.177 38.041 ( -3.049 -1.760 -6.537) 7.424 38.106 ( 0.580 0.335 5.211) 5.254 38.462 ( 4.132 2.386 -14.040) 14.829 38.740 ( 8.946 5.165 0.566) 10.346 40.148 ( -24.041 -13.880 -4.313) 28.093 40.834 ( -20.886 -12.058 6.435) 24.960 44.502 ( 2.097 1.210 0.025) 2.421 45.052 ( 5.494 3.172 -0.261) 6.349 ======================= Grid point 407 (123/146) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 10.953 6.324 15.130) 19.720 3.127 ( -5.523 -3.188 1.591) 6.572 3.247 ( 20.230 11.680 4.403) 23.771 3.386 ( 15.554 8.980 -5.775) 18.866 3.409 ( 2.845 1.642 -4.860) 5.866 3.450 ( 9.356 5.402 -7.343) 13.062 3.517 ( 13.508 7.799 7.221) 17.188 3.812 ( 8.820 5.092 -7.825) 12.844 3.925 ( -0.102 -0.059 0.991) 0.998 4.004 ( 2.618 1.511 2.224) 3.753 4.042 ( -4.385 -2.532 0.047) 5.064 4.194 ( 1.040 0.600 -0.647) 1.364 5.159 ( -1.821 -1.051 -2.779) 3.485 5.835 ( -6.060 -3.499 -3.878) 8.001 5.967 ( -7.958 -4.595 -3.408) 9.801 6.055 ( -2.160 -1.247 4.110) 4.808 6.139 ( -0.937 -0.541 2.074) 2.340 6.589 ( -2.725 -1.573 2.120) 3.794 8.313 ( 3.163 1.826 0.423) 3.676 8.394 ( 4.364 2.520 -0.997) 5.137 8.712 ( -6.267 -3.618 0.517) 7.255 8.839 ( -7.780 -4.492 0.535) 8.999 12.240 ( -2.674 -1.544 -2.103) 3.735 12.862 ( -1.127 -0.650 -1.421) 1.926 12.941 ( -1.983 -1.145 2.360) 3.288 13.396 ( 1.377 0.795 3.909) 4.221 13.737 ( -3.221 -1.860 1.575) 4.039 13.956 ( 0.408 0.236 -6.679) 6.696 15.797 ( 1.550 0.895 1.250) 2.183 15.802 ( 0.202 0.116 4.178) 4.184 21.159 ( 0.562 0.325 -4.211) 4.261 21.409 ( 1.015 0.586 0.552) 1.296 22.017 ( 0.198 0.114 -2.921) 2.930 22.530 ( -0.462 -0.267 1.875) 1.949 22.804 ( 2.907 1.679 -2.856) 4.408 22.858 ( -3.798 -2.193 -6.317) 7.690 23.738 ( 22.188 12.810 -14.408) 29.394 24.343 ( 3.843 2.219 6.050) 7.503 25.218 ( -9.219 -5.322 13.923) 17.526 25.422 ( -0.064 -0.037 1.801) 1.802 25.920 ( -3.343 -1.930 -0.442) 3.885 26.245 ( -3.141 -1.813 -2.573) 4.447 26.247 ( -12.140 -7.009 28.200) 31.492 26.952 ( 3.386 1.955 -3.639) 5.342 27.262 ( -2.711 -1.565 -1.531) 3.485 27.910 ( 1.140 0.658 -10.298) 10.382 28.355 ( -5.482 -3.165 3.517) 7.241 28.894 ( -11.552 -6.670 -5.506) 14.431 34.272 ( -2.780 -1.605 -8.181) 8.788 35.623 ( 3.521 2.033 12.418) 13.067 36.026 ( 21.648 12.498 2.202) 25.093 37.064 ( 8.697 5.021 7.436) 12.496 37.939 ( -3.553 -2.051 -8.788) 9.698 38.140 ( 0.735 0.424 4.969) 5.041 38.449 ( -0.652 -0.376 -14.795) 14.814 38.903 ( 4.681 2.703 6.206) 8.230 39.666 ( -16.777 -9.686 -10.234) 21.910 40.467 ( -14.063 -8.119 7.319) 17.812 44.542 ( 1.521 0.878 -0.021) 1.756 45.158 ( 4.057 2.342 -0.154) 4.687 ======================= Grid point 408 (124/146) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -10.608 -6.124 3.665) 12.786 3.156 ( 6.297 3.636 8.143) 10.917 3.399 ( 0.293 0.169 -6.285) 6.294 3.553 ( 4.139 2.389 -4.329) 6.448 3.609 ( 11.044 6.376 -2.723) 13.040 3.666 ( 10.501 6.063 2.315) 12.345 3.838 ( 7.898 4.560 0.229) 9.123 3.856 ( -6.452 -3.725 -0.949) 7.511 3.932 ( 3.839 2.216 -2.471) 5.075 3.943 ( -3.925 -2.266 0.925) 4.626 4.071 ( 2.851 1.646 0.998) 3.440 4.215 ( -0.143 -0.083 1.474) 1.483 5.111 ( -1.273 -0.735 -4.222) 4.470 5.719 ( -2.753 -1.590 -3.782) 4.941 5.814 ( -3.934 -2.271 -2.398) 5.136 6.044 ( -0.224 -0.130 4.308) 4.316 6.132 ( -0.256 -0.148 2.484) 2.501 6.578 ( 0.517 0.298 4.854) 4.890 8.384 ( 3.024 1.746 1.141) 3.673 8.489 ( 4.625 2.670 -0.853) 5.409 8.589 ( -4.612 -2.663 -0.739) 5.376 8.678 ( -6.639 -3.833 0.049) 7.667 12.198 ( -0.464 -0.268 -2.809) 2.860 12.844 ( -0.068 -0.039 -1.645) 1.647 12.911 ( -1.589 -0.918 3.247) 3.730 13.393 ( -2.075 -1.198 -0.348) 2.421 13.683 ( -1.927 -1.113 -0.287) 2.244 13.981 ( 3.219 1.859 -2.748) 4.623 15.814 ( -0.622 -0.359 5.544) 5.590 15.830 ( 0.966 0.558 1.691) 2.025 21.152 ( 0.319 0.184 -5.318) 5.331 21.425 ( 0.339 0.196 0.320) 0.506 22.004 ( 0.026 0.015 -5.071) 5.071 22.525 ( -0.584 -0.337 1.836) 1.956 22.741 ( -3.494 -2.017 -12.481) 13.117 22.841 ( 1.251 0.722 -3.207) 3.517 24.112 ( 13.144 7.589 -13.705) 20.450 24.437 ( 2.324 1.342 7.831) 8.278 25.095 ( -4.141 -2.391 18.209) 18.827 25.419 ( -0.828 -0.478 2.418) 2.600 25.855 ( -3.399 -1.962 2.028) 4.418 26.117 ( -8.115 -4.685 30.357) 31.770 26.198 ( -0.180 -0.104 -3.195) 3.202 27.048 ( 5.206 3.006 -1.853) 6.291 27.201 ( -2.010 -1.161 -2.375) 3.321 27.868 ( -1.656 -0.956 -9.831) 10.015 28.291 ( -0.263 -0.152 -1.989) 2.012 28.701 ( -4.406 -2.544 -5.066) 7.180 34.173 ( -3.311 -1.912 -9.376) 10.126 35.766 ( 4.879 2.817 15.289) 16.294 36.383 ( 10.225 5.904 -1.602) 11.916 37.186 ( -2.558 -1.477 13.052) 13.382 37.834 ( -3.253 -1.878 -9.036) 9.786 38.172 ( 0.880 0.508 3.533) 3.676 38.391 ( 1.938 1.119 -13.993) 14.170 38.962 ( -0.927 -0.535 4.703) 4.823 39.401 ( -3.602 -2.079 -11.189) 11.937 40.290 ( -4.266 -2.463 7.529) 8.997 44.565 ( 0.551 0.318 -0.054) 0.638 45.220 ( 1.606 0.927 -0.069) 1.856 ======================= Grid point 415 (125/146) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.000 22.000 27.025) 34.848 1.557 ( 0.000 25.436 26.544) 36.764 2.324 ( 0.000 7.690 46.141) 46.777 2.477 ( -0.000 11.146 -23.434) 25.950 2.498 ( -0.000 11.767 -23.640) 26.407 3.359 ( -0.000 -0.250 -3.960) 3.968 3.544 ( -0.000 -1.461 -2.682) 3.054 3.677 ( -0.000 -0.942 -11.192) 11.231 3.775 ( 0.000 1.528 8.004) 8.149 3.799 ( 0.000 3.343 6.926) 7.690 4.168 ( -0.000 -0.139 -2.350) 2.354 4.171 ( -0.000 -0.159 -2.448) 2.453 5.323 ( 0.000 -5.786 6.524) 8.720 6.075 ( 0.000 -1.778 -0.294) 1.802 6.125 ( -0.000 1.082 -1.356) 1.735 6.338 ( 0.000 -2.821 -0.392) 2.848 6.354 ( -0.000 -0.475 -4.814) 4.837 6.805 ( -0.000 0.698 -13.019) 13.037 8.158 ( -0.000 1.858 -0.005) 1.858 8.160 ( -0.000 1.670 -0.212) 1.683 9.062 ( 0.000 -3.408 2.826) 4.427 9.112 ( 0.000 0.951 1.376) 1.672 12.584 ( 0.000 -6.584 4.787) 8.140 12.993 ( 0.000 -2.169 1.117) 2.439 13.010 ( 0.000 -0.601 0.036) 0.602 13.127 ( 0.000 2.969 13.848) 14.163 14.122 ( -0.000 -1.313 -17.094) 17.144 14.169 ( 0.000 -12.496 4.464) 13.270 15.701 ( -0.000 1.181 -1.437) 1.860 15.721 ( -0.000 1.903 -2.438) 3.093 21.144 ( 0.000 -1.077 2.748) 2.951 21.297 ( -0.000 2.066 0.633) 2.161 21.509 ( -0.000 21.056 -1.553) 21.113 22.508 ( 0.000 -0.127 4.728) 4.730 22.509 ( 0.000 0.254 3.022) 3.032 22.640 ( -0.000 0.853 -1.660) 1.866 23.771 ( 0.000 -29.590 2.996) 29.741 24.189 ( -0.000 3.563 -3.679) 5.122 25.366 ( 0.000 0.143 0.165) 0.218 25.388 ( -0.000 2.221 -0.496) 2.275 26.442 ( -0.000 -1.433 -4.079) 4.323 26.534 ( 0.000 -2.736 -0.507) 2.783 26.546 ( 0.000 -5.224 0.372) 5.237 27.097 ( -0.000 20.622 -0.574) 20.630 27.349 ( 0.000 -1.638 2.272) 2.801 27.357 ( 0.000 -1.437 -0.040) 1.438 29.651 ( 0.000 -33.279 9.158) 34.516 29.821 ( 0.000 -11.846 -1.180) 11.904 34.163 ( 0.000 -3.201 10.728) 11.195 34.483 ( 0.000 23.279 8.637) 24.829 35.821 ( -0.000 4.880 -16.080) 16.804 35.888 ( -0.000 15.807 -10.365) 18.903 37.883 ( 0.000 -3.720 9.949) 10.622 38.220 ( -0.000 19.305 -3.339) 19.591 38.252 ( -0.000 5.157 -4.770) 7.025 38.262 ( -0.000 0.491 -4.254) 4.282 41.221 ( 0.000 -24.108 2.340) 24.222 41.733 ( 0.000 -17.554 2.927) 17.797 44.418 ( -0.000 1.522 0.240) 1.541 44.836 ( -0.000 3.664 -0.155) 3.668 ======================= Grid point 416 (126/146) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 14.992 24.014 20.996) 35.246 2.013 ( 13.811 25.215 21.218) 35.731 2.577 ( 8.031 13.786 -4.669) 16.623 2.608 ( 6.052 13.194 10.582) 17.963 2.659 ( 9.877 14.699 -8.645) 19.707 3.341 ( -0.266 -0.133 -3.872) 3.884 3.514 ( -0.568 -1.868 -2.481) 3.157 3.629 ( -0.029 -0.123 -12.464) 12.465 3.830 ( 1.547 1.852 6.229) 6.680 3.864 ( 1.228 3.376 5.230) 6.345 4.154 ( -0.585 -0.162 -1.978) 2.069 4.166 ( 0.397 -0.273 -2.172) 2.224 5.272 ( -1.952 -4.384 5.199) 7.075 6.053 ( -0.450 -2.300 -0.444) 2.385 6.128 ( 0.772 -2.201 -0.447) 2.375 6.278 ( -3.042 -3.620 -0.489) 4.753 6.304 ( -2.596 -1.299 -6.706) 7.308 6.766 ( -1.108 -0.395 -8.180) 8.264 8.181 ( 0.840 2.345 -0.015) 2.491 8.199 ( 1.990 2.587 -0.456) 3.296 9.008 ( -2.796 -4.853 2.320) 6.062 9.112 ( -0.858 -1.736 0.663) 2.047 12.493 ( -3.794 -7.282 2.784) 8.670 12.959 ( -1.477 -2.044 0.264) 2.536 13.005 ( -0.020 -1.049 0.151) 1.060 13.217 ( 1.904 2.831 12.958) 13.399 14.022 ( -5.517 -9.488 6.302) 12.656 14.046 ( -0.830 -1.359 -15.296) 15.379 15.719 ( 0.559 2.042 -0.679) 2.223 15.741 ( 0.956 2.031 -1.392) 2.642 21.143 ( 0.331 -0.994 1.299) 1.669 21.336 ( 1.403 2.863 0.686) 3.262 21.789 ( 8.629 15.924 -0.794) 18.129 22.537 ( 0.926 0.910 2.416) 2.743 22.551 ( 3.181 3.932 6.017) 7.861 22.660 ( 1.775 2.033 -0.927) 2.853 23.464 ( -5.028 -22.148 -2.235) 22.821 24.206 ( -0.762 5.624 -2.533) 6.215 25.372 ( 0.136 0.759 1.121) 1.361 25.411 ( -0.165 3.083 -0.526) 3.132 26.334 ( -11.400 -2.781 1.288) 11.805 26.410 ( -0.053 -5.657 -3.195) 6.497 26.545 ( -1.216 -0.933 -0.161) 1.542 27.189 ( -5.500 -5.065 6.706) 10.044 27.355 ( 0.747 -1.857 0.914) 2.200 27.493 ( 13.752 10.762 -7.323) 18.936 29.186 ( -20.080 -25.562 10.644) 34.204 29.619 ( -7.410 -15.826 -2.097) 17.600 34.285 ( 10.373 -1.564 8.876) 13.741 34.743 ( 2.736 22.838 3.464) 23.261 35.710 ( -7.260 11.276 -5.407) 14.460 36.249 ( 19.249 10.635 -7.554) 23.253 37.939 ( 6.270 -5.323 7.725) 11.284 38.175 ( -3.988 0.330 -6.219) 7.395 38.343 ( 5.061 5.226 -3.748) 8.184 38.449 ( 4.341 18.221 -7.132) 20.042 40.846 ( -14.305 -27.719 2.227) 31.272 41.451 ( -12.818 -19.119 3.723) 23.317 44.444 ( 1.067 1.930 0.109) 2.208 44.901 ( 2.835 4.891 -0.185) 5.656 ======================= Grid point 417 (127/146) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 16.628 19.210 16.846) 30.484 2.563 ( 18.744 20.341 14.650) 31.300 2.863 ( 13.781 17.079 -15.708) 26.987 2.933 ( 12.809 15.350 2.065) 20.099 2.982 ( 11.405 13.295 10.462) 20.403 3.324 ( -0.399 0.138 -2.202) 2.242 3.473 ( -0.783 -2.405 -2.938) 3.877 3.608 ( 2.275 2.404 -13.289) 13.695 3.894 ( 1.691 2.049 3.940) 4.752 3.930 ( 1.618 2.313 3.352) 4.382 4.131 ( -1.399 -0.225 -1.138) 1.817 4.165 ( 0.763 -0.348 -1.754) 1.944 5.218 ( -1.765 -3.185 1.770) 4.048 6.006 ( -2.885 -2.122 -1.397) 3.845 6.090 ( -0.472 -6.769 0.617) 6.813 6.179 ( -4.051 -3.561 -2.025) 5.761 6.221 ( -3.813 -0.287 -2.646) 4.649 6.701 ( -2.911 -1.944 -3.194) 4.738 8.228 ( 1.838 2.734 0.105) 3.296 8.266 ( 3.111 2.932 -0.754) 4.341 8.901 ( -4.690 -5.721 1.558) 7.560 9.044 ( -3.980 -4.673 0.628) 6.170 12.365 ( -4.362 -5.703 0.390) 7.190 12.914 ( -1.725 -1.773 -0.456) 2.516 12.989 ( -0.743 -1.275 0.572) 1.582 13.319 ( 2.552 2.266 9.700) 10.283 13.879 ( -5.089 -5.950 4.651) 9.107 13.974 ( -0.944 -0.834 -11.615) 11.683 15.749 ( 0.939 1.802 -0.169) 2.039 15.779 ( 1.198 2.154 0.809) 2.594 21.145 ( 0.457 -0.212 -0.688) 0.852 21.393 ( 0.925 4.207 0.533) 4.340 21.974 ( 3.032 2.951 0.283) 4.240 22.558 ( -0.848 2.111 2.002) 3.030 22.680 ( 4.884 0.664 -0.979) 5.025 22.812 ( 8.992 7.375 10.863) 15.913 23.240 ( 1.328 -6.470 -17.078) 18.310 24.265 ( 1.056 7.023 0.011) 7.102 25.386 ( -0.595 0.739 3.301) 3.435 25.433 ( -0.857 2.985 0.745) 3.194 26.106 ( -9.219 -9.164 2.800) 13.297 26.350 ( -3.016 -3.689 1.457) 4.983 26.515 ( -1.635 1.005 0.952) 2.142 27.001 ( -8.408 -11.875 4.825) 15.329 27.349 ( -0.460 -0.159 0.415) 0.639 27.742 ( 9.421 5.288 -8.317) 13.634 28.724 ( -16.694 -12.591 9.006) 22.767 29.294 ( -11.018 -17.192 -3.755) 20.762 34.417 ( -1.098 6.900 0.825) 7.035 35.048 ( 18.789 2.852 0.525) 19.012 35.791 ( -2.834 22.355 7.110) 23.629 36.607 ( 17.118 5.327 -2.815) 18.148 38.000 ( 4.283 -5.463 2.088) 7.249 38.100 ( -2.510 0.513 -4.437) 5.123 38.462 ( 2.277 8.511 -5.484) 10.378 38.659 ( 7.140 10.204 -3.148) 12.846 40.312 ( -19.129 -25.287 -1.188) 31.730 41.029 ( -17.370 -18.006 4.127) 25.357 44.486 ( 1.601 1.913 0.040) 2.495 45.008 ( 4.269 4.914 -0.210) 6.513 ======================= Grid point 418 (128/146) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 10.755 10.453 13.947) 20.481 3.083 ( 18.114 16.852 5.623) 25.372 3.168 ( 1.217 2.273 -0.537) 2.634 3.223 ( 14.003 14.467 -6.710) 21.223 3.334 ( 10.439 11.249 -0.396) 15.351 3.363 ( 4.134 4.592 -1.638) 6.392 3.460 ( 4.865 3.956 3.338) 7.104 3.694 ( 8.262 6.939 -10.638) 15.153 3.939 ( 0.025 1.834 1.039) 2.108 3.984 ( 2.149 0.896 2.474) 3.397 4.090 ( -3.161 -0.564 0.022) 3.211 4.174 ( 1.289 -0.134 -1.229) 1.786 5.164 ( -1.668 -2.460 -1.543) 3.349 5.892 ( -6.360 -3.747 -2.693) 7.858 5.994 ( -3.370 -7.623 -1.756) 8.518 6.080 ( -2.710 -3.008 1.772) 4.420 6.173 ( -2.062 0.202 1.200) 2.395 6.627 ( -2.942 -1.820 0.777) 3.545 8.290 ( 2.399 2.821 0.373) 3.722 8.347 ( 3.782 2.662 -0.825) 4.698 8.766 ( -5.401 -5.671 0.578) 7.852 8.906 ( -6.317 -6.141 0.442) 8.821 12.258 ( -3.046 -3.481 -1.257) 4.793 12.870 ( -1.417 -1.360 -0.932) 2.174 12.963 ( -1.255 -1.225 1.377) 2.230 13.396 ( 1.527 1.214 4.249) 4.675 13.775 ( -3.613 -3.571 1.859) 5.409 13.931 ( 0.076 0.137 -6.233) 6.235 15.780 ( 1.240 0.726 0.888) 1.689 15.821 ( 0.677 2.147 2.505) 3.367 21.148 ( 0.218 0.690 -2.599) 2.697 21.444 ( -0.597 5.675 0.259) 5.713 21.997 ( 0.415 -1.286 -1.375) 1.928 22.564 ( -1.775 2.517 1.571) 3.457 22.752 ( 3.822 0.721 -2.442) 4.592 22.874 ( -2.993 -4.347 -0.230) 5.283 23.433 ( 20.941 10.583 -12.510) 26.590 24.365 ( 1.907 7.396 3.015) 8.212 25.360 ( -6.082 -1.074 9.663) 11.468 25.444 ( -0.936 2.142 1.516) 2.786 25.910 ( -3.549 -9.484 -0.223) 10.128 26.241 ( -5.972 -6.380 8.225) 12.001 26.516 ( -4.844 4.205 9.258) 11.263 26.787 ( 0.409 -15.268 -3.147) 15.595 27.340 ( -2.168 2.956 -1.229) 3.866 27.851 ( 3.487 2.361 -8.357) 9.358 28.458 ( -9.786 -5.205 5.849) 12.533 28.946 ( -9.627 -15.217 -5.405) 18.801 34.396 ( -9.091 10.649 -7.120) 15.708 35.382 ( 22.365 -7.248 6.435) 24.374 36.044 ( 1.784 23.629 8.944) 25.328 36.893 ( 15.147 -0.024 0.775) 15.167 37.966 ( -2.124 -0.125 -8.000) 8.278 38.107 ( 2.537 -0.787 2.937) 3.960 38.510 ( -4.150 9.280 -8.741) 13.407 38.851 ( 7.344 3.999 4.667) 9.577 39.775 ( -17.199 -20.603 -6.405) 27.592 40.619 ( -14.644 -14.564 5.122) 21.279 44.528 ( 1.478 1.514 0.012) 2.116 45.119 ( 4.007 3.879 -0.140) 5.579 ======================= Grid point 419 (129/146) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -8.392 -3.577 4.595) 10.214 3.121 ( 6.158 5.521 6.718) 10.655 3.359 ( 1.100 -1.032 -7.450) 7.601 3.483 ( 10.355 9.464 -2.815) 14.308 3.503 ( 7.626 7.890 -2.652) 11.289 3.565 ( 11.827 10.467 1.498) 15.864 3.765 ( 9.946 11.070 4.062) 15.426 3.874 ( 6.121 5.787 -4.727) 9.659 3.923 ( -3.236 0.330 -1.400) 3.541 4.012 ( -5.486 -0.903 1.121) 5.671 4.040 ( 2.886 0.937 1.841) 3.549 4.201 ( 2.088 0.432 -0.109) 2.135 5.110 ( -1.431 -1.556 -3.194) 3.831 5.747 ( -4.954 -3.484 -2.918) 6.723 5.837 ( -4.923 -6.807 -2.006) 8.637 6.052 ( -0.006 -1.413 3.613) 3.880 6.154 ( -1.211 0.066 1.925) 2.276 6.592 ( -0.616 -0.661 3.577) 3.689 8.360 ( 2.715 2.597 0.873) 3.857 8.433 ( 4.351 2.027 -0.655) 4.844 8.632 ( -4.821 -4.585 -0.459) 6.668 8.742 ( -6.478 -5.687 -0.063) 8.620 12.195 ( -1.178 -1.468 -2.079) 2.804 12.839 ( -0.567 -0.857 -1.119) 1.519 12.937 ( -1.350 -0.892 2.197) 2.729 13.411 ( -1.017 -0.097 -0.386) 1.092 13.704 ( -2.303 -1.878 -0.120) 2.974 13.943 ( 2.175 1.209 -1.885) 3.121 15.806 ( 1.105 -0.545 2.374) 2.674 15.854 ( -0.105 1.701 3.020) 3.468 21.147 ( -0.272 1.485 -3.877) 4.160 21.479 ( -2.357 6.591 0.015) 7.000 21.978 ( 0.334 -1.533 -3.645) 3.968 22.558 ( -2.151 2.073 1.187) 3.215 22.746 ( -2.663 -1.461 -7.405) 8.004 22.828 ( 0.615 2.611 -3.670) 4.546 23.828 ( 20.734 3.123 -9.411) 22.983 24.473 ( 1.149 6.375 5.662) 8.603 25.246 ( -9.095 -2.096 15.715) 18.277 25.453 ( -1.259 2.044 1.906) 3.065 25.812 ( 0.972 -7.620 -1.384) 7.805 26.115 ( -3.892 -9.055 12.930) 16.258 26.452 ( -10.416 4.343 9.332) 14.644 26.768 ( 12.878 -12.560 -2.327) 18.139 27.324 ( -3.447 4.807 -3.820) 7.042 27.865 ( -0.884 2.562 -7.543) 8.015 28.309 ( -5.026 -3.400 0.748) 6.114 28.695 ( -3.808 -9.713 -5.100) 11.612 34.304 ( -10.726 11.111 -8.999) 17.874 35.679 ( 15.827 -2.909 12.560) 20.413 36.282 ( 4.457 8.843 2.092) 10.122 37.087 ( 10.320 -7.783 6.035) 14.265 37.926 ( -3.474 7.937 -8.036) 11.817 38.157 ( 2.440 0.879 1.989) 3.268 38.449 ( -8.267 7.433 -8.649) 14.086 38.974 ( 1.595 -0.263 6.716) 6.908 39.377 ( -6.356 -12.297 -10.534) 17.395 40.342 ( -6.634 -9.945 5.844) 13.306 44.559 ( 0.814 0.888 -0.018) 1.205 45.202 ( 2.379 2.282 -0.058) 3.297 ======================= Grid point 427 (130/146) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.000 28.095 19.362) 34.121 2.229 ( 0.000 26.672 20.509) 33.645 2.622 ( -0.000 20.561 -18.822) 27.875 2.667 ( -0.000 20.539 -18.721) 27.791 2.801 ( 0.000 12.910 32.257) 34.744 3.329 ( -0.000 0.454 -4.994) 5.014 3.487 ( -0.000 -2.997 -2.472) 3.885 3.589 ( -0.000 0.347 -11.912) 11.917 3.854 ( 0.000 1.953 5.038) 5.404 3.906 ( 0.000 3.901 3.628) 5.327 4.148 ( -0.000 -0.686 -2.071) 2.182 4.154 ( -0.000 0.078 -1.404) 1.406 5.256 ( 0.000 -5.233 4.194) 6.706 6.022 ( 0.000 -3.941 0.207) 3.946 6.107 ( 0.000 -2.374 0.881) 2.532 6.261 ( 0.000 -4.538 -0.826) 4.612 6.289 ( -0.000 -1.585 -6.780) 6.962 6.746 ( -0.000 -0.681 -6.490) 6.525 8.200 ( -0.000 2.782 -0.545) 2.835 8.210 ( -0.000 3.597 0.059) 3.597 8.985 ( 0.000 -6.335 1.871) 6.606 9.099 ( 0.000 -3.309 0.690) 3.381 12.454 ( 0.000 -8.721 2.140) 8.979 12.948 ( 0.000 -2.878 -0.023) 2.878 12.998 ( 0.000 -0.814 0.521) 0.966 13.271 ( 0.000 2.727 11.520) 11.839 13.989 ( 0.000 -10.027 5.070) 11.236 13.992 ( -0.000 -1.119 -13.203) 13.250 15.740 ( -0.000 3.113 0.083) 3.114 15.748 ( -0.000 2.446 -2.070) 3.204 21.131 ( 0.000 -1.568 1.441) 2.130 21.346 ( -0.000 2.431 0.376) 2.460 21.883 ( -0.000 14.802 -0.794) 14.823 22.535 ( 0.000 0.522 2.170) 2.232 22.621 ( 0.000 9.931 9.060) 13.443 22.657 ( -0.000 1.956 -0.838) 2.128 23.282 ( 0.000 -21.210 -0.954) 21.232 24.250 ( -0.000 5.432 -4.017) 6.756 25.381 ( 0.000 1.081 0.964) 1.448 25.443 ( -0.000 4.019 -1.951) 4.467 26.325 ( -0.000 -9.997 -3.640) 10.639 26.449 ( 0.000 -5.445 -1.144) 5.563 26.512 ( -0.000 3.755 -1.862) 4.191 27.219 ( 0.000 -8.504 3.947) 9.375 27.327 ( 0.000 -2.482 2.578) 3.578 27.462 ( -0.000 12.663 -0.588) 12.677 29.110 ( 0.000 -27.261 3.870) 27.535 29.505 ( 0.000 -19.787 -0.634) 19.797 34.174 ( 0.000 -3.259 10.431) 10.928 35.047 ( -0.000 30.849 -0.189) 30.849 35.802 ( -0.000 4.591 -16.020) 16.665 36.222 ( -0.000 20.575 6.253) 21.505 37.876 ( 0.000 -4.069 9.852) 10.659 38.238 ( -0.000 0.003 -4.156) 4.156 38.263 ( -0.000 3.182 -3.984) 5.099 38.588 ( -0.000 19.168 -8.534) 20.982 40.673 ( 0.000 -33.536 3.002) 33.670 41.363 ( 0.000 -22.672 1.344) 22.711 44.457 ( -0.000 2.356 0.029) 2.356 44.930 ( -0.000 6.103 -0.160) 6.105 ======================= Grid point 428 (131/146) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 8.745 25.120 15.421) 30.746 2.595 ( 8.424 21.332 15.507) 27.685 2.830 ( 6.832 22.516 -13.825) 27.291 2.889 ( 8.286 21.321 -13.840) 26.736 3.067 ( 4.485 15.434 22.901) 27.979 3.321 ( 0.162 1.041 -3.921) 4.060 3.443 ( -0.305 -3.939 -2.132) 4.489 3.565 ( 0.804 2.566 -11.686) 11.992 3.898 ( 1.369 1.712 3.461) 4.097 3.952 ( 0.203 3.282 1.608) 3.660 4.139 ( 0.528 -0.820 -1.615) 1.887 4.148 ( -0.528 0.069 -0.585) 0.791 5.211 ( -1.002 -4.498 2.250) 5.128 5.987 ( 0.653 -5.051 0.473) 5.115 6.065 ( -2.319 -4.483 1.536) 5.276 6.191 ( -2.593 -4.025 -2.318) 5.320 6.242 ( -1.310 -1.625 -3.972) 4.487 6.706 ( -1.278 -1.978 -3.633) 4.329 8.234 ( 0.965 3.272 -0.412) 3.436 8.259 ( 1.395 3.910 -0.133) 4.153 8.904 ( -2.518 -7.173 1.301) 7.712 9.044 ( -1.895 -5.868 0.629) 6.198 12.360 ( -2.260 -7.401 0.907) 7.791 12.913 ( -0.810 -2.675 -0.267) 2.807 12.989 ( -0.396 -0.949 0.536) 1.160 13.339 ( 1.258 2.064 8.437) 8.776 13.892 ( -2.658 -7.709 3.426) 8.845 13.943 ( -0.342 -0.447 -9.374) 9.391 15.760 ( -0.093 2.401 -1.086) 2.637 15.786 ( 1.190 3.123 0.059) 3.342 21.129 ( 0.796 -1.000 0.801) 1.509 21.396 ( 2.874 2.944 0.168) 4.118 21.980 ( 0.431 3.803 -0.201) 3.833 22.569 ( 2.639 0.860 0.928) 2.927 22.661 ( -1.148 3.292 0.782) 3.573 22.823 ( 4.326 9.351 15.229) 18.387 23.112 ( 0.491 -6.410 -10.840) 12.603 24.304 ( 1.568 6.702 -3.368) 7.662 25.401 ( 0.488 1.417 1.258) 1.956 25.473 ( 0.088 3.778 -2.281) 4.414 26.145 ( -7.070 -13.615 -0.358) 15.345 26.377 ( -1.272 -1.084 -2.034) 2.632 26.536 ( -1.933 1.951 -0.755) 2.848 27.045 ( -8.656 -12.646 1.606) 15.408 27.331 ( 1.716 -1.628 1.992) 3.092 27.644 ( 7.267 7.354 0.609) 10.357 28.812 ( -8.061 -18.076 1.295) 19.835 29.249 ( -7.062 -20.861 -0.338) 22.027 34.306 ( 13.935 -2.616 9.159) 16.879 35.155 ( -13.905 21.894 -7.730) 27.064 35.948 ( 11.395 14.202 -5.139) 18.919 36.480 ( 4.590 15.419 6.352) 17.296 37.899 ( 3.265 -4.411 7.700) 9.455 38.150 ( -4.461 1.197 -5.639) 7.289 38.399 ( 9.178 2.708 0.269) 9.573 38.724 ( -0.152 15.354 -8.160) 17.388 40.278 ( -9.955 -32.261 2.006) 33.821 41.068 ( -9.250 -22.061 0.419) 23.925 44.486 ( 0.809 2.351 -0.010) 2.486 45.007 ( 2.119 6.159 -0.154) 6.516 ======================= Grid point 429 (132/146) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 7.599 13.572 10.624) 18.836 3.018 ( 13.613 20.601 6.056) 25.424 3.135 ( 8.497 14.292 -2.958) 16.888 3.176 ( 7.955 16.308 -7.722) 19.719 3.323 ( 3.065 6.522 0.901) 7.263 3.353 ( 0.714 1.341 -0.849) 1.741 3.446 ( 6.234 10.512 6.849) 14.010 3.615 ( 5.177 7.392 -9.801) 13.323 3.950 ( 1.819 1.593 1.926) 3.091 3.980 ( -0.154 1.674 0.112) 1.685 4.131 ( -1.755 0.325 0.433) 1.837 4.141 ( 1.432 -0.954 -1.287) 2.148 5.158 ( -1.334 -3.379 0.178) 3.637 5.941 ( -0.342 -6.484 0.252) 6.498 5.949 ( -5.560 -6.273 0.025) 8.382 6.099 ( -3.044 -3.345 -1.299) 4.706 6.199 ( -1.254 -1.018 -0.551) 1.707 6.649 ( -1.977 -2.204 -0.874) 3.087 8.288 ( 1.735 3.498 -0.086) 3.906 8.323 ( 2.174 3.405 -0.316) 4.052 8.784 ( -3.981 -7.112 0.598) 8.172 8.930 ( -4.266 -7.535 0.423) 8.669 12.262 ( -2.453 -4.830 -0.133) 5.419 12.873 ( -1.104 -2.078 -0.381) 2.384 12.971 ( -0.734 -1.039 0.533) 1.379 13.398 ( 1.244 1.191 3.865) 4.231 13.793 ( -2.823 -5.059 1.492) 5.982 13.915 ( -0.005 0.410 -4.566) 4.584 15.778 ( 0.356 1.433 -0.358) 1.519 15.835 ( 1.140 2.687 0.806) 3.028 21.140 ( 0.770 0.165 -0.309) 0.846 21.488 ( 3.081 5.332 0.054) 6.159 21.981 ( -0.697 -1.573 -0.259) 1.740 22.628 ( 0.810 3.197 0.330) 3.314 22.687 ( 2.054 1.395 -0.390) 2.514 22.870 ( -1.252 -6.475 6.338) 9.147 23.248 ( 10.196 15.101 -6.848) 19.465 24.405 ( 3.037 7.833 -1.232) 8.491 25.427 ( 0.105 1.601 1.637) 2.292 25.498 ( -0.704 2.682 0.298) 2.789 25.889 ( -7.236 -13.063 0.345) 14.937 26.334 ( -4.663 -1.545 3.161) 5.842 26.501 ( -0.243 -4.280 0.194) 4.291 26.763 ( -8.894 -11.544 -1.449) 14.644 27.355 ( 1.095 -0.073 0.895) 1.416 27.797 ( 4.732 4.262 -1.394) 6.519 28.567 ( -7.221 -8.364 2.085) 11.245 28.910 ( -9.260 -19.606 -1.893) 21.765 34.555 ( 8.743 4.988 3.121) 10.539 35.117 ( -1.238 8.309 -4.565) 9.561 36.273 ( 5.785 19.307 3.898) 20.529 36.675 ( 6.898 4.125 0.917) 8.089 37.930 ( 2.260 -2.275 1.310) 3.464 38.110 ( -0.449 3.062 -2.791) 4.168 38.576 ( 6.175 5.074 0.633) 8.017 38.824 ( 1.387 9.002 -3.223) 9.662 39.792 ( -14.163 -27.564 -0.711) 30.998 40.692 ( -12.040 -18.785 1.014) 22.335 44.524 ( 1.114 1.947 0.002) 2.243 45.104 ( 2.923 5.072 -0.102) 5.855 ======================= Grid point 430 (133/146) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 5.140 7.080 2.678) 9.150 3.182 ( -4.340 -1.017 4.457) 6.304 3.302 ( 0.416 -2.929 -5.730) 6.448 3.417 ( 10.807 15.319 -1.039) 18.776 3.464 ( 5.782 8.197 -1.170) 10.099 3.500 ( 10.515 14.259 0.560) 17.726 3.757 ( 7.932 14.176 6.316) 17.429 3.806 ( 8.979 10.780 -6.404) 15.423 3.969 ( -1.994 1.324 -1.573) 2.864 4.007 ( 2.599 0.192 2.014) 3.294 4.094 ( -3.684 0.479 0.961) 3.838 4.162 ( 2.409 -0.201 -0.836) 2.558 5.108 ( -1.344 -2.058 -1.179) 2.726 5.788 ( -6.000 -5.771 -1.329) 8.431 5.831 ( -3.941 -8.672 -0.665) 9.549 6.048 ( -0.293 -1.427 1.587) 2.154 6.175 ( -0.948 -0.532 0.688) 1.286 6.605 ( -1.116 -1.515 1.285) 2.278 8.353 ( 1.968 3.336 0.506) 3.907 8.389 ( 2.886 2.080 -0.426) 3.583 8.655 ( -4.120 -5.843 -0.168) 7.151 8.778 ( -5.349 -7.266 -0.025) 9.023 12.194 ( -1.483 -2.315 -0.760) 2.852 12.838 ( -0.884 -1.383 -0.402) 1.690 12.951 ( -0.796 -0.958 0.760) 1.460 13.421 ( -0.116 0.413 -0.165) 0.460 13.719 ( -2.078 -2.711 -0.021) 3.416 13.922 ( 1.111 1.030 -0.655) 1.650 15.795 ( 0.645 0.169 0.826) 1.061 15.874 ( 0.569 1.658 1.158) 2.101 21.153 ( 0.260 1.314 -1.364) 1.911 21.584 ( 0.205 8.520 -0.153) 8.524 21.947 ( -0.278 -2.505 -1.299) 2.835 22.638 ( -3.039 3.447 -0.089) 4.596 22.734 ( 1.605 -0.036 -0.620) 1.720 22.848 ( 0.200 4.027 -1.968) 4.486 23.521 ( 13.547 2.540 -4.210) 14.412 24.528 ( 2.552 7.507 1.935) 8.162 25.425 ( -5.849 2.074 7.800) 9.968 25.500 ( -0.967 1.840 1.820) 2.763 25.713 ( -0.256 -8.750 -3.143) 9.301 26.188 ( -9.909 -7.893 11.803) 17.315 26.395 ( 3.615 -19.348 -9.810) 21.992 26.667 ( -0.250 5.896 5.238) 7.891 27.354 ( -0.831 -0.913 -2.520) 2.806 27.884 ( 1.749 5.391 -2.677) 6.268 28.402 ( -8.387 -3.971 3.192) 9.813 28.614 ( -3.729 -15.291 -4.152) 16.278 34.623 ( -11.098 17.449 -6.545) 21.691 35.318 ( 21.241 -4.525 6.861) 22.776 36.441 ( -6.293 12.282 4.027) 14.376 36.819 ( 12.410 -7.215 -0.433) 14.361 37.968 ( 2.605 5.996 -4.290) 7.819 38.167 ( 1.718 5.084 1.716) 5.634 38.648 ( -5.526 9.591 -4.505) 11.951 38.938 ( 5.500 1.251 5.631) 7.970 39.328 ( -11.358 -21.502 -5.122) 24.851 40.363 ( -8.607 -14.694 2.252) 17.177 44.556 ( 0.855 1.291 0.003) 1.549 45.189 ( 2.393 3.352 -0.026) 4.119 ======================= Grid point 439 (134/146) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 0.000 26.160 12.354) 28.930 2.757 ( 0.000 17.164 9.744) 19.737 2.962 ( -0.000 22.483 -5.866) 23.236 2.993 ( -0.000 23.918 -11.568) 26.569 3.249 ( 0.000 15.342 13.498) 20.434 3.318 ( -0.000 2.777 -5.249) 5.938 3.405 ( 0.000 -2.957 1.759) 3.440 3.553 ( -0.000 3.997 -9.068) 9.909 3.910 ( 0.000 1.129 2.414) 2.665 3.985 ( -0.000 3.177 -0.311) 3.192 4.114 ( -0.000 -1.915 -1.407) 2.377 4.157 ( 0.000 0.706 0.383) 0.803 5.183 ( 0.000 -4.473 2.281) 5.021 5.926 ( 0.000 -6.660 1.334) 6.792 6.051 ( 0.000 -5.150 2.744) 5.835 6.168 ( -0.000 -3.958 -1.978) 4.424 6.217 ( -0.000 -1.678 -4.884) 5.164 6.683 ( -0.000 -2.428 -3.322) 4.115 8.255 ( -0.000 3.503 -0.774) 3.588 8.291 ( -0.000 4.697 0.273) 4.705 8.857 ( 0.000 -7.919 0.966) 7.978 8.999 ( 0.000 -7.485 0.592) 7.508 12.312 ( 0.000 -6.924 1.033) 7.001 12.892 ( 0.000 -2.759 -0.109) 2.761 12.985 ( 0.000 -0.915 0.320) 0.970 13.371 ( 0.000 1.474 6.029) 6.207 13.849 ( 0.000 -7.302 1.975) 7.564 13.918 ( -0.000 0.244 -5.929) 5.934 15.782 ( -0.000 2.435 -1.828) 3.045 15.804 ( -0.000 3.213 -0.338) 3.231 21.114 ( 0.000 -1.126 1.781) 2.107 21.387 ( -0.000 1.787 -0.114) 1.791 22.002 ( -0.000 0.487 -0.045) 0.489 22.550 ( 0.000 0.066 0.448) 0.452 22.706 ( -0.000 3.126 0.841) 3.237 22.878 ( 0.000 -9.858 19.073) 21.470 23.124 ( -0.000 21.987 -8.096) 23.430 24.333 ( -0.000 6.293 -4.991) 8.032 25.414 ( 0.000 1.518 0.799) 1.715 25.483 ( -0.000 1.773 -6.246) 6.493 26.079 ( 0.000 -12.393 -1.746) 12.515 26.327 ( 0.000 -6.343 -0.616) 6.372 26.609 ( -0.000 7.663 -6.002) 9.733 27.012 ( 0.000 -12.862 -1.386) 12.937 27.289 ( 0.000 -3.296 2.611) 4.205 27.667 ( 0.000 6.425 7.478) 9.859 28.682 ( 0.000 -17.511 -5.145) 18.251 29.124 ( 0.000 -20.047 3.596) 20.367 34.180 ( 0.000 -3.407 10.022) 10.586 35.594 ( -0.000 28.861 -5.751) 29.428 35.782 ( -0.000 4.654 -15.813) 16.484 36.698 ( 0.000 21.023 12.208) 24.310 37.863 ( 0.000 -4.226 9.605) 10.493 38.209 ( -0.000 -0.082 -3.959) 3.960 38.302 ( -0.000 1.794 0.585) 1.887 38.838 ( -0.000 13.271 -8.099) 15.547 40.058 ( 0.000 -32.668 4.264) 32.945 40.926 ( 0.000 -22.190 -2.410) 22.320 44.503 ( -0.000 2.383 -0.046) 2.384 45.050 ( -0.000 6.366 -0.105) 6.367 ======================= Grid point 440 (135/146) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( 3.123 12.917 3.212) 13.672 3.073 ( 7.048 22.675 6.361) 24.582 3.160 ( 2.993 10.032 -0.447) 10.479 3.225 ( 4.593 21.387 -6.668) 22.869 3.309 ( 1.578 0.147 -0.688) 1.728 3.364 ( 0.118 3.073 0.184) 3.081 3.518 ( 3.904 16.736 0.604) 17.196 3.609 ( 2.488 9.497 0.136) 9.819 3.935 ( 1.430 0.277 1.609) 2.170 4.005 ( -0.484 2.494 -1.632) 3.019 4.097 ( 1.164 -2.744 -1.140) 3.191 4.162 ( -0.745 1.216 0.962) 1.720 5.146 ( -0.746 -3.539 1.875) 4.074 5.869 ( 0.348 -7.789 1.921) 8.030 5.974 ( -3.485 -6.880 1.864) 7.934 6.106 ( -2.195 -2.793 -2.944) 4.613 6.191 ( 0.110 -1.505 -2.221) 2.685 6.643 ( -0.716 -2.314 -2.443) 3.440 8.296 ( 1.110 3.637 -0.730) 3.872 8.341 ( 0.482 4.591 0.342) 4.629 8.766 ( -2.131 -7.781 0.586) 8.089 8.907 ( -2.066 -8.640 0.404) 8.893 12.247 ( -1.199 -4.868 0.955) 5.104 12.864 ( -0.441 -2.187 0.197) 2.240 12.972 ( -0.459 -1.113 -0.311) 1.244 13.403 ( 0.666 0.736 2.904) 3.069 13.780 ( -1.281 -5.429 0.762) 5.630 13.910 ( 0.016 0.979 -2.158) 2.370 15.792 ( -0.440 1.877 -1.441) 2.407 15.840 ( 1.173 2.427 -1.073) 2.901 21.125 ( 1.198 -0.278 1.944) 2.301 21.446 ( 5.009 2.238 -0.071) 5.487 21.986 ( -1.241 -1.487 0.817) 2.102 22.575 ( 3.127 -0.209 -0.624) 3.196 22.732 ( -1.043 3.097 1.438) 3.570 22.826 ( 0.846 -8.367 9.122) 12.407 23.361 ( -0.199 24.484 1.648) 24.540 24.405 ( 3.491 6.440 -4.561) 8.629 25.427 ( 0.380 0.077 -2.018) 2.055 25.479 ( 2.352 -0.985 -6.547) 7.026 25.903 ( -7.131 -9.982 1.244) 12.330 26.290 ( 1.736 -5.764 -2.748) 6.617 26.614 ( -3.996 6.202 -6.485) 9.823 26.769 ( -11.278 -13.993 -1.426) 18.028 27.319 ( 3.830 -1.367 2.961) 5.031 27.775 ( 3.347 3.757 6.515) 8.232 28.513 ( -0.531 -12.293 -4.942) 13.260 28.894 ( -7.843 -16.738 4.601) 19.048 34.311 ( 15.024 -3.376 9.160) 17.917 35.471 ( -19.715 17.894 -10.553) 28.640 36.132 ( 19.107 11.044 -8.070) 23.498 36.859 ( -7.081 16.517 7.246) 19.376 37.882 ( 2.853 -2.611 8.201) 9.067 38.144 ( -2.733 1.609 -4.325) 5.363 38.443 ( 11.181 -0.039 4.447) 12.033 38.912 ( -1.175 9.815 -7.246) 12.257 39.716 ( -7.924 -27.932 5.125) 29.483 40.661 ( -6.479 -19.034 -3.160) 20.354 44.529 ( 0.565 2.022 -0.023) 2.099 45.119 ( 1.348 5.422 -0.048) 5.587 ======================= Grid point 451 (136/146) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.034 ( -0.000 10.732 -3.282) 11.223 3.157 ( -0.000 -4.603 -4.331) 6.320 3.248 ( -0.000 21.435 4.686) 21.941 3.328 ( 0.000 3.026 7.696) 8.270 3.374 ( -0.000 20.389 -3.789) 20.738 3.411 ( -0.000 7.041 1.284) 7.157 3.605 ( -0.000 14.691 -9.123) 17.293 3.727 ( 0.000 13.447 8.759) 16.048 3.924 ( 0.000 -1.135 1.165) 1.627 4.027 ( -0.000 2.586 -2.223) 3.410 4.048 ( 0.000 -4.461 -1.085) 4.591 4.186 ( 0.000 1.820 0.906) 2.033 5.129 ( 0.000 -3.029 3.004) 4.266 5.802 ( 0.000 -7.247 2.680) 7.727 5.937 ( 0.000 -8.431 2.428) 8.773 6.093 ( -0.000 -2.138 -3.319) 3.948 6.165 ( -0.000 -1.175 -2.805) 3.042 6.618 ( -0.000 -1.735 -3.493) 3.900 8.320 ( -0.000 3.818 -0.871) 3.916 8.386 ( -0.000 5.076 0.523) 5.103 8.712 ( 0.000 -7.625 0.524) 7.643 8.840 ( 0.000 -9.118 0.319) 9.124 12.220 ( 0.000 -3.614 1.761) 4.020 12.851 ( 0.000 -1.611 0.764) 1.783 12.960 ( -0.000 -1.518 -1.364) 2.041 13.409 ( 0.000 -0.024 1.622) 1.622 13.744 ( 0.000 -4.513 0.251) 4.520 13.919 ( -0.000 1.733 0.235) 1.749 15.812 ( -0.000 1.942 -1.724) 2.597 15.839 ( -0.000 1.363 -2.947) 3.247 21.119 ( 0.000 -0.188 3.545) 3.550 21.413 ( -0.000 1.086 -0.247) 1.113 21.989 ( 0.000 -1.281 2.415) 2.734 22.545 ( -0.000 -0.380 -1.017) 1.085 22.768 ( 0.000 -7.722 10.959) 13.407 22.777 ( 0.000 3.046 2.312) 3.824 23.635 ( -0.000 26.076 6.179) 26.798 24.408 ( -0.000 5.357 -6.511) 8.431 25.362 ( -0.000 -7.795 -14.037) 16.057 25.436 ( -0.000 0.575 -0.967) 1.125 25.908 ( 0.000 -4.972 1.981) 5.352 26.224 ( 0.000 -4.308 1.509) 4.565 26.524 ( -0.000 -8.901 -26.330) 27.794 26.905 ( 0.000 3.582 6.009) 6.996 27.241 ( 0.000 -3.413 2.456) 4.204 27.804 ( 0.000 1.710 10.290) 10.432 28.391 ( -0.000 -9.622 -3.655) 10.293 28.837 ( 0.000 -13.252 5.689) 14.422 34.179 ( 0.000 -3.613 9.633) 10.288 35.768 ( -0.000 5.061 -15.520) 16.324 36.055 ( -0.000 22.807 -3.436) 23.065 37.100 ( -0.000 14.871 0.839) 14.895 37.847 ( 0.000 -4.122 9.291) 10.164 38.184 ( -0.000 0.285 -3.733) 3.744 38.329 ( 0.000 -1.829 8.139) 8.342 38.972 ( -0.000 5.952 -7.561) 9.623 39.567 ( 0.000 -21.859 9.199) 23.716 40.533 ( 0.000 -15.626 -5.567) 16.588 44.542 ( -0.000 1.728 -0.005) 1.728 45.157 ( -0.000 4.705 0.002) 4.705 ======================= Grid point 537 (137/146) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 0.000 -0.000 32.364) 32.364 1.372 ( 0.000 -0.000 32.364) 32.364 2.285 ( -0.000 0.000 -27.095) 27.095 2.285 ( -0.000 0.000 -27.095) 27.095 2.418 ( 0.000 -0.000 47.536) 47.536 3.343 ( -0.000 0.000 -6.622) 6.622 3.545 ( -0.000 0.000 -4.077) 4.077 3.655 ( -0.000 0.000 -10.380) 10.380 3.788 ( 0.000 -0.000 7.270) 7.270 3.788 ( 0.000 -0.000 7.270) 7.270 4.163 ( -0.000 0.000 -2.411) 2.411 4.163 ( -0.000 0.000 -2.411) 2.411 5.410 ( 0.000 -0.000 4.015) 4.015 6.092 ( -0.000 0.000 -0.330) 0.330 6.092 ( -0.000 0.000 -0.330) 0.330 6.363 ( -0.000 0.000 -0.243) 0.243 6.363 ( -0.000 0.000 -0.243) 0.243 6.743 ( -0.000 0.000 -14.211) 14.211 8.142 ( 0.000 0.000 -0.008) 0.008 8.142 ( -0.000 0.000 -0.008) 0.008 9.104 ( 0.000 -0.000 2.547) 2.547 9.104 ( 0.000 -0.000 2.547) 2.547 12.670 ( 0.000 -0.000 4.873) 4.873 13.017 ( -0.000 0.000 -0.120) 0.120 13.017 ( -0.000 0.000 -0.120) 0.120 13.146 ( 0.000 -0.000 15.874) 15.874 14.075 ( -0.000 0.000 -17.312) 17.312 14.309 ( -0.000 0.000 -1.893) 1.893 15.689 ( -0.000 0.000 -2.028) 2.028 15.689 ( -0.000 0.000 -2.028) 2.028 21.167 ( 0.000 -0.000 3.167) 3.167 21.277 ( 0.000 -0.000 0.251) 0.251 21.277 ( 0.000 -0.000 0.251) 0.251 22.519 ( 0.000 -0.000 2.576) 2.576 22.519 ( 0.000 -0.000 2.576) 2.576 22.627 ( -0.000 0.000 -1.478) 1.478 24.133 ( -0.000 0.000 -2.831) 2.831 24.133 ( -0.000 0.000 -2.831) 2.831 25.368 ( -0.000 0.000 -0.273) 0.273 25.368 ( -0.000 0.000 -0.273) 0.273 26.557 ( 0.000 -0.000 0.006) 0.006 26.557 ( -0.000 0.000 0.006) 0.006 26.600 ( 0.000 -0.000 0.212) 0.212 26.722 ( -0.000 0.000 -0.099) 0.099 27.377 ( 0.000 -0.000 1.535) 1.535 27.377 ( 0.000 -0.000 1.535) 1.535 29.926 ( -0.000 0.000 -0.311) 0.311 30.060 ( 0.000 -0.000 0.130) 0.130 34.259 ( 0.000 -0.000 9.792) 9.792 34.259 ( 0.000 -0.000 9.792) 9.792 35.680 ( -0.000 0.000 -13.384) 13.384 35.680 ( -0.000 0.000 -13.384) 13.384 37.982 ( 0.000 -0.000 9.645) 9.645 37.982 ( 0.000 -0.000 9.645) 9.645 38.224 ( -0.000 0.000 -5.693) 5.693 38.224 ( -0.000 0.000 -5.693) 5.693 41.464 ( 0.000 -0.000 0.932) 0.932 41.923 ( -0.000 0.000 -1.140) 1.140 44.404 ( 0.000 -0.000 0.304) 0.304 44.800 ( -0.000 0.000 -0.152) 0.152 ======================= Grid point 538 (138/146) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 17.240 9.953 27.551) 33.990 1.724 ( 18.774 10.839 26.659) 34.361 2.295 ( 10.031 5.791 -26.081) 28.537 2.345 ( 12.356 7.134 -24.197) 28.090 2.627 ( 5.105 2.948 40.860) 41.283 3.320 ( 0.328 0.190 -8.335) 8.343 3.524 ( -0.624 -0.360 -3.495) 3.569 3.604 ( -1.362 -0.787 -9.616) 9.744 3.826 ( 1.321 0.763 5.561) 5.767 3.836 ( 2.148 1.240 5.356) 5.903 4.150 ( -0.335 -0.193 -1.941) 1.980 4.159 ( 0.244 0.141 -2.187) 2.205 5.362 ( -4.414 -2.548 4.457) 6.771 6.079 ( -1.146 -0.662 -0.500) 1.415 6.124 ( 2.284 1.319 -1.279) 2.931 6.324 ( -3.122 -1.803 -3.128) 4.773 6.328 ( -2.958 -1.708 0.107) 3.418 6.725 ( 1.430 0.826 -9.294) 9.439 8.153 ( 1.123 0.648 0.149) 1.305 8.163 ( 1.830 1.057 -0.302) 2.135 9.078 ( -2.992 -1.727 2.046) 4.015 9.123 ( 0.426 0.246 1.196) 1.293 12.613 ( -5.915 -3.415 3.352) 7.608 12.991 ( -1.915 -1.106 0.371) 2.242 13.017 ( -0.173 -0.100 -0.299) 0.359 13.223 ( 2.087 1.205 13.663) 13.873 14.011 ( -0.746 -0.431 -15.312) 15.336 14.190 ( -8.840 -5.104 2.145) 10.431 15.691 ( 1.005 0.581 -0.982) 1.521 15.706 ( 1.664 0.961 -1.682) 2.554 21.164 ( -0.821 -0.474 1.756) 1.996 21.300 ( 1.704 0.984 0.530) 2.038 21.500 ( 17.717 10.229 -0.720) 20.470 22.527 ( 1.039 0.600 3.142) 3.363 22.535 ( 0.393 0.227 1.812) 1.868 22.633 ( 1.048 0.605 -1.295) 1.773 23.846 ( -20.778 -11.996 -1.816) 24.060 24.128 ( 1.230 0.710 -0.764) 1.613 25.365 ( 0.311 0.179 0.728) 0.812 25.378 ( 0.723 0.417 -0.438) 0.943 26.369 ( -7.113 -4.107 0.688) 8.242 26.523 ( -2.839 -1.639 0.057) 3.278 26.555 ( -3.450 -1.992 -0.169) 3.987 27.126 ( 19.271 11.126 -1.154) 22.282 27.354 ( 0.053 0.031 -0.689) 0.692 27.382 ( -0.408 -0.235 0.588) 0.753 29.672 ( -29.580 -17.078 6.743) 34.815 29.822 ( -9.780 -5.647 -1.188) 11.355 34.328 ( 1.241 0.716 4.838) 5.046 34.439 ( 15.397 8.889 9.990) 20.393 35.579 ( -2.093 -1.208 -5.872) 6.350 35.975 ( 22.717 13.116 -14.221) 29.838 38.062 ( 1.751 1.011 8.087) 8.336 38.097 ( 8.620 4.977 1.855) 10.125 38.160 ( -2.363 -1.364 -6.688) 7.223 38.292 ( 6.650 3.839 -3.521) 8.447 41.239 ( -19.497 -11.257 0.908) 22.531 41.741 ( -15.106 -8.722 1.969) 17.554 44.419 ( 1.242 0.717 0.186) 1.447 44.835 ( 3.176 1.834 -0.112) 3.669 ======================= Grid point 539 (139/146) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 22.807 13.168 20.093) 33.125 2.279 ( 23.609 13.631 18.668) 33.040 2.531 ( 18.195 10.505 -20.621) 29.439 2.632 ( 19.397 11.199 -17.901) 28.672 2.900 ( 8.793 5.076 30.080) 31.747 3.307 ( 0.826 0.477 -6.573) 6.642 3.497 ( -1.272 -0.735 -1.683) 2.234 3.544 ( -0.300 -0.173 -11.813) 11.818 3.876 ( 1.801 1.040 3.260) 3.867 3.905 ( 2.629 1.518 3.609) 4.716 4.134 ( -0.754 -0.435 -1.073) 1.382 4.159 ( 0.440 0.254 -1.780) 1.851 5.279 ( -4.013 -2.317 2.177) 5.120 6.036 ( -2.691 -1.553 -1.104) 3.297 6.154 ( 0.647 0.374 -1.924) 2.064 6.228 ( -4.208 -2.429 -2.829) 5.622 6.241 ( -4.827 -2.787 0.991) 5.661 6.713 ( -0.953 -0.550 -3.562) 3.728 8.190 ( 2.211 1.277 0.306) 2.572 8.218 ( 3.214 1.856 -0.629) 3.765 8.991 ( -5.383 -3.108 1.321) 6.355 9.103 ( -2.818 -1.627 0.396) 3.278 12.467 ( -7.389 -4.266 1.016) 8.592 12.944 ( -2.387 -1.378 0.142) 2.760 13.006 ( -0.718 -0.414 -0.220) 0.858 13.315 ( 2.569 1.483 9.428) 9.883 13.948 ( -0.804 -0.464 -10.978) 11.017 14.003 ( -8.546 -4.934 3.575) 10.496 15.721 ( 1.771 1.023 0.291) 2.066 15.746 ( 2.237 1.292 -0.469) 2.626 21.150 ( -0.661 -0.381 -0.266) 0.808 21.343 ( 1.950 1.126 0.638) 2.340 21.871 ( 12.438 7.181 0.306) 14.366 22.545 ( 0.069 0.040 1.210) 1.213 22.660 ( 12.025 6.943 4.271) 14.527 22.665 ( 2.351 1.357 -1.452) 3.079 23.393 ( -17.082 -9.862 -10.098) 22.159 24.181 ( 3.345 1.931 2.010) 4.354 25.388 ( 1.044 0.603 3.063) 3.292 25.396 ( 0.988 0.571 -0.314) 1.184 26.233 ( -7.656 -4.420 4.226) 9.798 26.439 ( -4.674 -2.698 -0.211) 5.401 26.497 ( -0.775 -0.448 0.409) 0.984 27.179 ( -7.982 -4.608 6.122) 11.064 27.361 ( -1.553 -0.897 -0.516) 1.867 27.575 ( 14.003 8.084 -9.940) 18.980 29.042 ( -27.095 -15.643 9.673) 32.747 29.535 ( -15.350 -8.863 -2.754) 17.938 34.336 ( -0.915 -0.528 -2.783) 2.977 34.934 ( 25.252 14.579 8.835) 30.468 35.560 ( 0.703 0.406 4.523) 4.596 36.420 ( 20.461 11.813 -9.789) 25.574 38.061 ( -2.977 -1.719 -7.153) 7.936 38.129 ( 0.747 0.431 5.768) 5.832 38.265 ( 6.658 3.844 -6.406) 10.007 38.503 ( 12.147 7.013 1.107) 14.070 40.709 ( -27.274 -15.747 -0.535) 31.498 41.340 ( -21.277 -12.284 3.591) 24.829 44.456 ( 2.004 1.157 0.083) 2.315 44.930 ( 5.270 3.042 -0.125) 6.086 ======================= Grid point 540 (140/146) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 17.784 10.268 13.012) 24.311 2.818 ( 21.337 12.319 3.811) 24.931 2.929 ( 21.825 12.601 -5.604) 25.817 3.008 ( 17.434 10.066 -10.506) 22.708 3.204 ( 10.768 6.217 17.246) 21.260 3.309 ( 0.994 0.574 -1.398) 1.809 3.451 ( -0.943 -0.544 -3.095) 3.281 3.556 ( 5.628 3.250 -11.121) 12.880 3.918 ( 1.189 0.686 0.856) 1.618 3.970 ( 2.375 1.371 2.547) 3.743 4.106 ( -1.797 -1.037 0.033) 2.075 4.167 ( 0.738 0.426 -1.385) 1.626 5.201 ( -3.304 -1.908 -1.127) 3.979 5.945 ( -5.327 -3.076 -2.283) 6.561 6.090 ( -5.203 -3.004 -4.968) 7.795 6.145 ( -3.987 -2.302 2.558) 5.267 6.175 ( -0.968 -0.559 3.363) 3.544 6.663 ( -2.760 -1.593 0.573) 3.238 8.249 ( 2.939 1.697 0.524) 3.434 8.296 ( 4.064 2.346 -0.722) 4.748 8.860 ( -6.703 -3.870 0.416) 7.751 9.001 ( -6.407 -3.699 0.138) 7.400 12.321 ( -5.707 -3.295 -0.830) 6.642 12.893 ( -2.168 -1.252 -0.338) 2.526 12.985 ( -1.164 -0.672 0.377) 1.396 13.387 ( 1.781 1.028 3.338) 3.920 13.851 ( -6.167 -3.560 1.663) 7.312 13.911 ( 0.020 0.011 -4.915) 4.915 15.766 ( 1.993 1.151 1.276) 2.632 15.795 ( 2.035 1.175 1.259) 2.666 21.134 ( -0.379 -0.219 -2.179) 2.223 21.384 ( 1.555 0.898 0.477) 1.858 22.001 ( 1.201 0.693 -0.002) 1.386 22.547 ( -0.187 -0.108 1.004) 1.027 22.720 ( 3.050 1.761 -1.935) 4.019 22.957 ( -3.252 -1.877 5.953) 7.038 23.171 ( 15.630 9.024 -19.627) 26.664 24.283 ( 4.746 2.740 4.724) 7.236 25.412 ( -1.211 -0.699 7.745) 7.870 25.417 ( 0.983 0.568 0.141) 1.144 26.056 ( -8.809 -5.086 2.646) 10.511 26.328 ( -5.124 -2.958 -0.710) 5.959 26.526 ( 0.787 0.454 10.225) 10.265 26.990 ( -8.972 -5.180 2.626) 10.688 27.311 ( -2.628 -1.517 -1.654) 3.456 27.759 ( 6.345 3.663 -10.434) 12.749 28.615 ( -15.108 -8.723 7.979) 19.183 29.168 ( -16.271 -9.394 -4.787) 19.388 34.276 ( -2.624 -1.515 -8.377) 8.908 35.530 ( 25.792 14.891 6.571) 30.499 35.634 ( 3.172 1.832 12.607) 13.128 36.792 ( 16.276 9.397 -5.753) 19.655 37.958 ( -3.662 -2.114 -9.121) 10.054 38.162 ( 0.436 0.252 5.234) 5.258 38.345 ( 2.824 1.630 -8.201) 8.825 38.772 ( 10.625 6.135 5.117) 13.293 40.102 ( -26.565 -15.337 -4.559) 31.012 40.890 ( -20.135 -11.625 4.657) 23.711 44.502 ( 2.073 1.197 0.044) 2.395 45.050 ( 5.501 3.176 -0.084) 6.352 ======================= Grid point 549 (141/146) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.000 17.617 27.762) 32.880 1.825 ( 0.000 21.383 26.526) 34.071 2.215 ( -0.000 13.052 -26.274) 29.337 2.253 ( -0.000 14.339 -25.118) 28.923 2.757 ( 0.000 5.101 36.411) 36.767 3.286 ( -0.000 0.966 -12.097) 12.136 3.512 ( -0.000 -0.751 -3.233) 3.319 3.577 ( -0.000 -1.966 -6.782) 7.061 3.839 ( 0.000 1.225 4.364) 4.533 3.855 ( 0.000 2.634 3.793) 4.618 4.148 ( -0.000 0.046 -1.458) 1.459 4.148 ( -0.000 -0.119 -1.852) 1.856 5.373 ( 0.000 -5.232 3.417) 6.249 6.074 ( 0.000 -1.684 -0.002) 1.684 6.116 ( -0.000 1.464 -0.448) 1.531 6.317 ( -0.000 -3.359 -2.622) 4.261 6.333 ( 0.000 -2.945 -0.407) 2.972 6.701 ( -0.000 2.670 -7.128) 7.612 8.157 ( -0.000 1.524 -0.262) 1.546 8.158 ( -0.000 1.851 0.150) 1.857 9.085 ( 0.000 -3.476 1.465) 3.772 9.125 ( 0.000 0.256 1.027) 1.058 12.622 ( 0.000 -7.204 2.591) 7.656 12.996 ( 0.000 -2.048 -0.085) 2.050 13.011 ( 0.000 -0.441 0.196) 0.482 13.264 ( 0.000 1.932 11.591) 11.750 13.964 ( -0.000 -0.575 -12.730) 12.743 14.196 ( 0.000 -9.406 1.355) 9.503 15.692 ( -0.000 1.757 -0.424) 1.808 15.699 ( -0.000 1.849 -1.739) 2.538 21.166 ( 0.000 -1.552 1.533) 2.181 21.302 ( -0.000 2.171 0.349) 2.199 21.499 ( -0.000 20.497 -0.579) 20.505 22.534 ( 0.000 0.289 1.899) 1.921 22.542 ( 0.000 1.373 2.004) 2.429 22.627 ( -0.000 0.915 -0.863) 1.258 23.797 ( 0.000 -27.752 2.373) 27.853 24.154 ( -0.000 3.214 -3.051) 4.432 25.369 ( 0.000 0.488 0.398) 0.630 25.381 ( -0.000 1.815 -0.788) 1.979 26.406 ( -0.000 -4.136 -2.925) 5.065 26.529 ( 0.000 -3.095 -0.472) 3.130 26.550 ( 0.000 -4.879 0.340) 4.891 27.100 ( -0.000 23.205 0.936) 23.224 27.356 ( 0.000 -3.594 -0.172) 3.598 27.369 ( 0.000 -1.291 1.712) 2.144 29.712 ( 0.000 -30.795 3.249) 30.966 29.810 ( 0.000 -11.956 -0.695) 11.976 34.268 ( 0.000 -2.900 9.341) 9.781 34.541 ( -0.000 21.021 2.171) 21.132 35.669 ( -0.000 3.909 -13.182) 13.749 35.822 ( -0.000 21.019 -1.951) 21.109 37.983 ( 0.000 -3.639 9.639) 10.303 38.190 ( -0.000 2.506 -5.048) 5.635 38.212 ( -0.000 1.031 -5.674) 5.767 38.227 ( -0.000 15.330 1.430) 15.397 41.237 ( 0.000 -23.093 1.029) 23.116 41.751 ( 0.000 -16.218 0.854) 16.241 44.420 ( -0.000 1.441 0.124) 1.447 44.834 ( -0.000 3.659 -0.078) 3.659 ======================= Grid point 550 (142/146) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 12.869 20.310 22.311) 32.801 2.226 ( 11.572 21.995 20.699) 32.344 2.363 ( 9.710 18.869 -22.009) 30.573 2.442 ( 12.141 18.747 -20.615) 30.395 2.952 ( 3.787 6.821 26.021) 27.166 3.268 ( 1.183 1.918 -11.198) 11.423 3.492 ( -0.210 -1.150 -1.483) 1.888 3.524 ( -1.370 -1.840 -6.148) 6.562 3.875 ( 1.166 1.612 2.435) 3.144 3.902 ( 1.201 2.658 2.007) 3.541 4.139 ( -0.366 -0.020 -0.734) 0.821 4.147 ( 0.330 -0.103 -1.207) 1.255 5.308 ( -2.562 -4.824 1.888) 5.779 6.050 ( -0.894 -2.094 -0.184) 2.284 6.127 ( 0.441 -0.958 0.182) 1.070 6.249 ( -2.745 -3.307 -2.850) 5.157 6.280 ( -2.314 -3.243 -0.157) 3.987 6.707 ( 0.107 0.759 -3.069) 3.164 8.182 ( 1.027 2.169 0.049) 2.400 8.196 ( 1.732 2.623 -0.218) 3.151 9.024 ( -2.851 -4.939 0.860) 5.768 9.117 ( -1.005 -1.840 0.368) 2.129 12.513 ( -4.386 -7.866 1.070) 9.070 12.961 ( -1.474 -2.286 0.051) 2.721 13.006 ( -0.191 -0.716 0.009) 0.741 13.327 ( 1.313 1.912 7.023) 7.396 13.921 ( -0.320 -0.390 -7.810) 7.826 14.063 ( -5.091 -8.778 1.935) 10.330 15.715 ( 0.718 2.015 -0.123) 2.143 15.730 ( 1.571 2.477 -0.684) 3.012 21.152 ( -0.358 -1.198 0.486) 1.341 21.341 ( 1.504 2.763 0.264) 3.157 21.784 ( 9.159 16.184 -0.243) 18.597 22.554 ( 0.727 0.954 0.946) 1.528 22.590 ( 2.726 4.578 1.764) 5.613 22.656 ( 2.449 3.867 0.018) 4.577 23.448 ( -10.387 -23.252 -0.926) 25.484 24.187 ( 1.134 4.631 -1.049) 4.882 25.383 ( 0.676 0.907 0.877) 1.431 25.404 ( 0.601 2.700 -0.640) 2.839 26.350 ( -7.500 -0.106 1.751) 7.703 26.381 ( -0.466 -9.682 -2.402) 9.986 26.544 ( -0.932 -1.241 -0.057) 1.553 27.248 ( -5.543 -6.500 4.108) 9.479 27.352 ( 1.645 0.590 -1.261) 2.155 27.442 ( 9.763 12.072 -2.509) 15.727 29.258 ( -17.517 -26.886 3.652) 32.296 29.602 ( -8.369 -15.879 -0.966) 17.976 34.356 ( 5.492 0.581 4.256) 6.972 34.757 ( 5.123 17.257 0.087) 18.002 35.683 ( 0.346 11.286 -0.636) 11.309 36.183 ( 15.809 16.804 -4.291) 23.467 38.013 ( 3.313 -4.832 6.229) 8.551 38.112 ( -3.881 0.613 -5.689) 6.914 38.313 ( 3.905 7.084 -1.575) 8.241 38.410 ( 6.158 13.300 -1.488) 14.732 40.860 ( -15.172 -27.266 0.632) 31.209 41.476 ( -11.832 -19.470 1.178) 22.814 44.445 ( 1.064 1.874 0.042) 2.156 44.899 ( 2.812 4.863 -0.063) 5.618 ======================= Grid point 551 (143/146) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 14.676 16.663 11.231) 24.883 2.656 ( 15.534 18.145 -5.117) 24.428 2.758 ( 16.794 20.441 4.126) 26.775 2.816 ( 16.615 18.603 -10.558) 27.085 3.182 ( 7.560 9.152 11.622) 16.613 3.287 ( 1.794 1.977 -4.790) 5.483 3.449 ( -2.030 -2.679 -2.675) 4.296 3.502 ( 1.718 1.972 -2.901) 3.906 3.916 ( 0.986 1.909 0.142) 2.153 3.954 ( 1.943 1.651 1.270) 2.848 4.127 ( -1.199 0.046 0.439) 1.278 4.150 ( 0.777 -0.284 -1.035) 1.325 5.224 ( -2.931 -3.588 -0.406) 4.651 5.994 ( -3.879 -2.037 -0.966) 4.487 6.085 ( -1.812 -5.418 -1.844) 6.003 6.168 ( -2.505 -3.698 1.107) 4.602 6.218 ( -2.247 -1.012 1.133) 2.712 6.686 ( -1.587 -1.517 0.225) 2.207 8.230 ( 2.023 2.605 0.345) 3.316 8.260 ( 2.923 2.991 -0.397) 4.201 8.910 ( -4.869 -5.806 0.155) 7.579 9.047 ( -4.026 -4.585 0.018) 6.102 12.366 ( -5.062 -5.972 -0.287) 7.834 12.912 ( -1.907 -2.017 -0.018) 2.776 12.991 ( -0.576 -0.911 -0.036) 1.078 13.381 ( 1.321 1.503 1.261) 2.365 13.899 ( -0.014 0.017 -1.820) 1.820 13.906 ( -5.397 -6.230 0.612) 8.265 15.751 ( 1.506 1.430 0.620) 2.167 15.785 ( 1.928 2.707 0.310) 3.338 21.138 ( -0.574 -0.194 -0.838) 1.034 21.396 ( 0.994 4.022 0.190) 4.147 21.977 ( 3.024 2.602 0.311) 4.002 22.571 ( -0.843 2.305 0.566) 2.519 22.669 ( 3.787 0.584 -1.024) 3.966 22.905 ( 14.868 15.001 4.162) 21.527 23.085 ( -9.890 -12.020 -10.242) 18.633 24.275 ( 3.285 5.683 2.101) 6.892 25.407 ( 0.805 0.992 0.478) 1.364 25.448 ( 0.873 2.740 2.378) 3.732 26.132 ( -9.015 -10.937 2.111) 14.330 26.361 ( -0.942 -1.828 1.167) 2.364 26.526 ( 0.994 0.267 1.122) 1.523 27.040 ( -8.538 -13.580 2.473) 16.231 27.346 ( -1.202 0.414 -0.968) 1.597 27.674 ( 6.541 7.815 -5.067) 11.381 28.794 ( -15.123 -14.618 4.669) 21.545 29.261 ( -12.462 -17.248 -2.549) 21.431 34.388 ( -6.650 9.162 -6.193) 12.905 35.082 ( 23.052 -1.263 5.982) 23.849 35.876 ( 0.712 22.235 8.625) 23.860 36.552 ( 16.867 8.537 -7.231) 20.240 37.973 ( -3.236 -1.869 -6.447) 7.452 38.100 ( 3.043 -2.652 3.805) 5.547 38.415 ( -1.123 10.417 -3.177) 10.949 38.665 ( 11.163 7.970 3.489) 14.153 40.297 ( -21.342 -25.389 -1.698) 33.211 41.060 ( -15.986 -18.593 1.923) 24.596 44.486 ( 1.607 1.888 0.031) 2.479 45.007 ( 4.265 4.904 -0.030) 6.499 ======================= Grid point 561 (144/146) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 0.000 23.647 20.020) 30.983 2.387 ( -0.000 21.170 -6.801) 22.235 2.462 ( -0.000 27.365 5.794) 27.972 2.477 ( -0.000 24.471 -18.448) 30.646 3.061 ( 0.000 8.665 10.753) 13.810 3.249 ( -0.000 3.080 -6.003) 6.746 3.477 ( 0.000 -2.432 1.438) 2.825 3.502 ( -0.000 -1.270 -3.886) 4.088 3.887 ( 0.000 1.746 1.241) 2.142 3.924 ( -0.000 3.141 -0.112) 3.142 4.133 ( -0.000 -0.670 -0.853) 1.085 4.148 ( 0.000 0.417 0.318) 0.524 5.284 ( 0.000 -5.441 1.208) 5.574 6.027 ( 0.000 -3.612 0.740) 3.687 6.126 ( 0.000 -1.249 2.799) 3.065 6.235 ( -0.000 -2.613 -3.552) 4.410 6.252 ( 0.000 -4.960 -1.041) 5.069 6.703 ( -0.000 -0.102 -1.755) 1.758 8.195 ( -0.000 2.641 -0.493) 2.686 8.212 ( -0.000 3.601 0.393) 3.623 8.996 ( 0.000 -6.337 0.315) 6.345 9.104 ( 0.000 -3.319 0.243) 3.328 12.469 ( 0.000 -9.061 0.702) 9.088 12.946 ( 0.000 -2.918 -0.259) 2.929 13.003 ( 0.000 -0.712 0.432) 0.833 13.353 ( 0.000 2.027 2.988) 3.610 13.902 ( -0.000 -0.203 -2.930) 2.937 14.017 ( 0.000 -9.757 0.660) 9.780 15.730 ( -0.000 2.369 -1.417) 2.760 15.742 ( -0.000 3.148 0.357) 3.168 21.143 ( 0.000 -1.457 0.986) 1.759 21.347 ( -0.000 2.312 -0.136) 2.316 21.876 ( -0.000 14.822 -0.556) 14.833 22.549 ( 0.000 0.240 0.493) 0.548 22.655 ( -0.000 2.337 0.489) 2.387 22.676 ( -0.000 14.493 1.637) 14.585 23.307 ( 0.000 -24.162 6.053) 24.908 24.210 ( -0.000 4.891 -3.617) 6.083 25.390 ( 0.000 1.250 0.759) 1.463 25.419 ( -0.000 2.833 -2.815) 3.993 26.280 ( -0.000 -8.707 -4.893) 9.987 26.441 ( 0.000 -5.585 -0.522) 5.609 26.501 ( -0.000 1.398 -0.568) 1.509 27.226 ( 0.000 -9.466 -2.579) 9.811 27.349 ( 0.000 -2.166 1.793) 2.812 27.491 ( 0.000 15.232 6.197) 16.445 29.110 ( 0.000 -29.732 -3.629) 29.953 29.512 ( 0.000 -18.858 1.731) 18.938 34.274 ( 0.000 -2.923 8.810) 9.283 35.013 ( -0.000 29.082 -6.239) 29.744 35.652 ( -0.000 3.601 -12.905) 13.398 36.311 ( 0.000 24.509 10.746) 26.762 37.974 ( 0.000 -4.046 9.447) 10.278 38.189 ( -0.000 0.583 -5.497) 5.528 38.238 ( -0.000 4.664 -0.498) 4.690 38.528 ( -0.000 16.317 -3.942) 16.786 40.697 ( 0.000 -32.703 1.764) 32.750 41.364 ( 0.000 -23.601 -1.163) 23.629 44.457 ( -0.000 2.313 -0.032) 2.313 44.929 ( -0.000 6.076 -0.015) 6.076 ======================= Grid point 672 (145/146) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 0.000 -0.000 29.964) 29.964 1.688 ( 0.000 -0.000 29.964) 29.964 2.004 ( -0.000 0.000 -28.194) 28.194 2.004 ( -0.000 0.000 -28.194) 28.194 2.827 ( 0.000 -0.000 30.715) 30.715 3.225 ( -0.000 0.000 -15.791) 15.791 3.509 ( -0.000 0.000 -2.222) 2.222 3.583 ( -0.000 0.000 -3.410) 3.410 3.839 ( 0.000 -0.000 2.764) 2.764 3.839 ( 0.000 -0.000 2.764) 2.764 4.143 ( -0.000 0.000 -1.137) 1.137 4.143 ( -0.000 0.000 -1.137) 1.137 5.440 ( 0.000 -0.000 1.675) 1.675 6.089 ( -0.000 0.000 -0.121) 0.121 6.089 ( -0.000 0.000 -0.121) 0.121 6.361 ( -0.000 0.000 -0.089) 0.089 6.361 ( -0.000 0.000 -0.089) 0.089 6.639 ( -0.000 0.000 -5.626) 5.626 8.142 ( 0.000 0.000 -0.004) 0.004 8.142 ( -0.000 0.000 -0.004) 0.004 9.122 ( 0.000 -0.000 0.948) 0.948 9.122 ( 0.000 -0.000 0.948) 0.948 12.704 ( 0.000 -0.000 1.819) 1.819 13.016 ( -0.000 0.000 -0.039) 0.039 13.016 ( -0.000 0.000 -0.039) 0.039 13.280 ( 0.000 -0.000 8.572) 8.572 13.932 ( -0.000 0.000 -9.104) 9.104 14.295 ( -0.000 0.000 -0.727) 0.727 15.674 ( -0.000 0.000 -0.760) 0.760 15.674 ( -0.000 0.000 -0.760) 0.760 21.189 ( 0.000 -0.000 1.191) 1.191 21.278 ( 0.000 -0.000 0.091) 0.091 21.278 ( 0.000 -0.000 0.091) 0.091 22.538 ( 0.000 -0.000 0.980) 0.980 22.538 ( 0.000 -0.000 0.980) 0.980 22.616 ( -0.000 0.000 -0.565) 0.565 24.112 ( -0.000 0.000 -1.072) 1.072 24.112 ( -0.000 0.000 -1.072) 1.072 25.366 ( -0.000 0.000 -0.100) 0.100 25.366 ( -0.000 0.000 -0.100) 0.100 26.557 ( 0.000 -0.000 0.001) 0.001 26.557 ( -0.000 -0.000 0.001) 0.001 26.601 ( 0.000 -0.000 0.081) 0.081 26.721 ( -0.000 0.000 -0.041) 0.041 27.387 ( 0.000 -0.000 0.568) 0.568 27.387 ( 0.000 -0.000 0.568) 0.568 29.923 ( -0.000 0.000 -0.112) 0.112 30.061 ( 0.000 -0.000 0.045) 0.045 34.333 ( 0.000 -0.000 4.174) 4.174 34.333 ( 0.000 -0.000 4.174) 4.174 35.581 ( -0.000 0.000 -5.439) 5.439 35.581 ( -0.000 0.000 -5.439) 5.439 38.073 ( 0.000 -0.000 8.095) 8.095 38.073 ( 0.000 -0.000 8.095) 8.095 38.161 ( -0.000 0.000 -6.693) 6.693 38.161 ( -0.000 0.000 -6.693) 6.693 41.471 ( 0.000 -0.000 0.354) 0.354 41.915 ( -0.000 0.000 -0.431) 0.431 44.406 ( 0.000 -0.000 0.116) 0.116 44.799 ( -0.000 0.000 -0.060) 0.060 ======================= Grid point 673 (146/146) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.46e-03 1.46e-03 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 14.414 8.322 26.825) 31.569 1.982 ( 16.119 9.306 16.225) 24.691 2.034 ( 11.479 6.627 -17.328) 21.816 2.093 ( 14.767 8.526 -25.184) 30.414 2.943 ( 3.447 1.990 13.381) 13.961 3.199 ( 1.724 0.995 -8.463) 8.694 3.497 ( -0.528 -0.305 -0.873) 1.065 3.551 ( -2.114 -1.221 -1.167) 2.706 3.858 ( 1.076 0.621 0.679) 1.416 3.870 ( 1.989 1.148 1.096) 2.545 4.139 ( -0.186 -0.107 -0.119) 0.245 4.143 ( 0.205 0.118 -0.652) 0.693 5.388 ( -4.345 -2.509 0.633) 5.057 6.075 ( -1.315 -0.759 -0.292) 1.546 6.115 ( 1.777 1.026 -0.413) 2.093 6.305 ( -3.915 -2.260 -0.437) 4.542 6.330 ( -2.740 -1.582 0.303) 3.178 6.670 ( 2.656 1.533 -1.278) 3.322 8.155 ( 1.201 0.694 0.239) 1.408 8.161 ( 1.684 0.972 -0.261) 1.961 9.090 ( -3.027 -1.748 0.348) 3.513 9.130 ( 0.106 0.061 0.152) 0.195 12.633 ( -6.311 -3.643 0.453) 7.301 12.994 ( -1.816 -1.049 0.267) 2.114 13.014 ( -0.258 -0.149 -0.297) 0.421 13.317 ( 1.447 0.836 2.789) 3.251 13.907 ( -0.280 -0.161 -3.067) 3.084 14.201 ( -7.510 -4.336 0.261) 8.676 15.688 ( 1.358 0.784 0.454) 1.633 15.693 ( 1.762 1.017 -0.767) 2.174 21.174 ( -1.301 -0.751 0.112) 1.507 21.303 ( 1.847 1.066 0.135) 2.137 21.496 ( 17.583 10.151 -0.036) 20.303 22.544 ( 0.308 0.178 -0.029) 0.356 22.548 ( 1.461 0.843 0.796) 1.865 22.624 ( 0.919 0.531 -0.311) 1.106 23.822 ( -22.199 -12.817 -2.638) 25.769 24.131 ( 2.089 1.206 1.377) 2.777 25.373 ( 0.994 0.574 0.859) 1.434 25.373 ( 0.646 0.373 -0.496) 0.896 26.382 ( -5.641 -3.257 1.841) 6.769 26.525 ( -2.850 -1.645 0.303) 3.305 26.553 ( -3.844 -2.219 -0.258) 4.446 27.112 ( 21.012 12.131 -1.388) 24.302 27.353 ( -3.106 -1.793 0.289) 3.598 27.382 ( -0.747 -0.431 -0.650) 1.080 29.717 ( -27.061 -15.624 2.135) 31.320 29.811 ( -10.066 -5.811 -0.810) 11.651 34.336 ( -0.985 -0.569 -3.408) 3.593 34.522 ( 16.185 9.344 5.699) 19.538 35.574 ( 1.027 0.593 4.961) 5.100 35.855 ( 21.729 12.545 -8.365) 26.449 38.073 ( -2.674 -1.544 -7.778) 8.368 38.136 ( 4.116 2.376 5.121) 6.986 38.149 ( 1.201 0.694 6.366) 6.516 38.255 ( 9.311 5.375 -3.537) 11.318 41.243 ( -19.593 -11.312 -0.077) 22.624 41.752 ( -13.994 -8.079 0.464) 16.166 44.420 ( 1.220 0.704 0.038) 1.409 44.834 ( 3.172 1.831 -0.020) 3.663 =================== 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 3/79860 10.0 935.757 935.757 3329.525 -0.000 0.000 -0.000 3/79860 20.0 540.046 540.046 586.288 -0.000 -0.000 -0.000 3/79860 30.0 236.764 236.764 237.591 -0.000 -0.000 -0.000 3/79860 40.0 137.986 137.986 133.050 -0.000 -0.000 -0.000 3/79860 50.0 91.275 91.275 85.366 -0.000 -0.000 -0.000 3/79860 60.0 66.219 66.219 60.410 -0.000 -0.000 -0.000 3/79860 70.0 51.351 51.351 45.907 -0.000 -0.000 -0.000 3/79860 80.0 41.752 41.752 36.718 -0.000 -0.000 -0.000 3/79860 90.0 35.124 35.124 30.480 -0.000 -0.000 -0.000 3/79860 100.0 30.302 30.302 26.009 -0.000 -0.000 -0.000 3/79860 110.0 26.646 26.646 22.664 -0.000 -0.000 -0.000 3/79860 120.0 23.781 23.781 20.073 -0.000 -0.000 -0.000 3/79860 130.0 21.477 21.477 18.009 -0.000 -0.000 -0.000 3/79860 140.0 19.584 19.584 16.328 -0.000 -0.000 -0.000 3/79860 150.0 17.999 17.999 14.931 -0.000 -0.000 -0.000 3/79860 160.0 16.654 16.654 13.751 -0.000 -0.000 -0.000 3/79860 170.0 15.496 15.496 12.742 -0.000 -0.000 -0.000 3/79860 180.0 14.488 14.488 11.868 -0.000 -0.000 -0.000 3/79860 190.0 13.603 13.603 11.104 -0.000 -0.000 -0.000 3/79860 200.0 12.819 12.819 10.429 -0.000 -0.000 -0.000 3/79860 210.0 12.120 12.120 9.829 -0.000 -0.000 -0.000 3/79860 220.0 11.492 11.492 9.293 -0.000 -0.000 -0.000 3/79860 230.0 10.924 10.924 8.810 -0.000 -0.000 -0.000 3/79860 240.0 10.408 10.408 8.372 -0.000 -0.000 -0.000 3/79860 250.0 9.938 9.938 7.975 -0.000 -0.000 -0.000 3/79860 260.0 9.507 9.507 7.612 -0.000 -0.000 -0.000 3/79860 270.0 9.111 9.111 7.279 -0.000 -0.000 -0.000 3/79860 280.0 8.746 8.746 6.973 -0.000 -0.000 -0.000 3/79860 290.0 8.408 8.408 6.690 -0.000 -0.000 -0.000 3/79860 300.0 8.094 8.094 6.429 -0.000 -0.000 -0.000 3/79860 310.0 7.801 7.801 6.186 -0.000 -0.000 -0.000 3/79860 320.0 7.529 7.529 5.961 -0.000 -0.000 -0.000 3/79860 330.0 7.274 7.274 5.750 -0.000 -0.000 -0.000 3/79860 340.0 7.035 7.035 5.554 -0.000 -0.000 -0.000 3/79860 350.0 6.811 6.811 5.369 -0.000 -0.000 -0.000 3/79860 360.0 6.601 6.601 5.197 -0.000 -0.000 -0.000 3/79860 370.0 6.402 6.402 5.034 -0.000 -0.000 -0.000 3/79860 380.0 6.215 6.215 4.881 -0.000 -0.000 -0.000 3/79860 390.0 6.038 6.038 4.737 -0.000 -0.000 -0.000 3/79860 400.0 5.871 5.871 4.601 -0.000 -0.000 -0.000 3/79860 410.0 5.712 5.712 4.473 -0.000 -0.000 -0.000 3/79860 420.0 5.562 5.562 4.351 -0.000 -0.000 -0.000 3/79860 430.0 5.419 5.419 4.235 -0.000 -0.000 -0.000 3/79860 440.0 5.283 5.283 4.125 -0.000 -0.000 -0.000 3/79860 450.0 5.154 5.154 4.021 -0.000 -0.000 -0.000 3/79860 460.0 5.031 5.031 3.922 -0.000 -0.000 -0.000 3/79860 470.0 4.913 4.913 3.828 -0.000 -0.000 -0.000 3/79860 480.0 4.801 4.801 3.738 -0.000 -0.000 -0.000 3/79860 490.0 4.693 4.693 3.652 -0.000 -0.000 -0.000 3/79860 500.0 4.591 4.591 3.569 -0.000 -0.000 -0.000 3/79860 510.0 4.493 4.493 3.491 -0.000 -0.000 -0.000 3/79860 520.0 4.398 4.398 3.416 -0.000 -0.000 -0.000 3/79860 530.0 4.308 4.308 3.344 -0.000 -0.000 -0.000 3/79860 540.0 4.221 4.221 3.275 -0.000 -0.000 -0.000 3/79860 550.0 4.138 4.138 3.208 -0.000 -0.000 -0.000 3/79860 560.0 4.058 4.058 3.145 -0.000 -0.000 -0.000 3/79860 570.0 3.981 3.981 3.083 -0.000 -0.000 -0.000 3/79860 580.0 3.907 3.907 3.025 -0.000 -0.000 -0.000 3/79860 590.0 3.835 3.835 2.968 -0.000 -0.000 -0.000 3/79860 600.0 3.766 3.766 2.913 -0.000 -0.000 -0.000 3/79860 610.0 3.700 3.700 2.861 -0.000 -0.000 -0.000 3/79860 620.0 3.636 3.636 2.810 -0.000 -0.000 -0.000 3/79860 630.0 3.574 3.574 2.761 -0.000 -0.000 -0.000 3/79860 640.0 3.514 3.514 2.714 -0.000 -0.000 -0.000 3/79860 650.0 3.456 3.456 2.668 -0.000 -0.000 -0.000 3/79860 660.0 3.400 3.400 2.624 -0.000 -0.000 -0.000 3/79860 670.0 3.346 3.346 2.582 -0.000 -0.000 -0.000 3/79860 680.0 3.293 3.293 2.540 -0.000 -0.000 -0.000 3/79860 690.0 3.243 3.243 2.501 -0.000 -0.000 -0.000 3/79860 700.0 3.193 3.193 2.462 -0.000 -0.000 -0.000 3/79860 710.0 3.146 3.146 2.424 -0.000 -0.000 -0.000 3/79860 720.0 3.099 3.099 2.388 -0.000 -0.000 -0.000 3/79860 730.0 3.054 3.054 2.353 -0.000 -0.000 -0.000 3/79860 740.0 3.011 3.011 2.318 -0.000 -0.000 -0.000 3/79860 750.0 2.968 2.968 2.285 -0.000 -0.000 -0.000 3/79860 760.0 2.927 2.927 2.253 -0.000 -0.000 -0.000 3/79860 770.0 2.887 2.887 2.222 -0.000 -0.000 -0.000 3/79860 780.0 2.848 2.848 2.191 -0.000 -0.000 -0.000 3/79860 790.0 2.810 2.810 2.161 -0.000 -0.000 -0.000 3/79860 800.0 2.773 2.773 2.133 -0.000 -0.000 -0.000 3/79860 810.0 2.737 2.737 2.104 -0.000 -0.000 -0.000 3/79860 820.0 2.702 2.702 2.077 -0.000 -0.000 -0.000 3/79860 830.0 2.668 2.668 2.050 -0.000 -0.000 -0.000 3/79860 840.0 2.635 2.635 2.024 -0.000 -0.000 -0.000 3/79860 850.0 2.602 2.602 1.999 -0.000 -0.000 -0.000 3/79860 860.0 2.571 2.571 1.975 -0.000 -0.000 -0.000 3/79860 870.0 2.540 2.540 1.951 -0.000 -0.000 -0.000 3/79860 880.0 2.510 2.510 1.927 -0.000 -0.000 -0.000 3/79860 890.0 2.480 2.480 1.904 -0.000 -0.000 -0.000 3/79860 900.0 2.451 2.451 1.882 -0.000 -0.000 -0.000 3/79860 910.0 2.423 2.423 1.860 -0.000 -0.000 -0.000 3/79860 920.0 2.396 2.396 1.839 -0.000 -0.000 -0.000 3/79860 930.0 2.369 2.369 1.818 -0.000 -0.000 -0.000 3/79860 940.0 2.343 2.343 1.798 -0.000 -0.000 -0.000 3/79860 950.0 2.317 2.317 1.778 -0.000 -0.000 -0.000 3/79860 960.0 2.292 2.292 1.758 -0.000 -0.000 -0.000 3/79860 970.0 2.268 2.268 1.739 -0.000 -0.000 -0.000 3/79860 980.0 2.244 2.244 1.721 -0.000 -0.000 -0.000 3/79860 990.0 2.221 2.221 1.702 -0.000 -0.000 -0.000 3/79860 1000.0 2.198 2.198 1.685 -0.000 -0.000 -0.000 3/79860 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:42:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|