----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:33:04]------------------------- 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: [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.784682073226117 0.000000000000000 0.000000000000000 b -2.892341036613058 5.009681628230251 0.000000000000000 c 0.000000000000000 0.000000000000000 11.815497000000001 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 *2 Ba 0.33333333333333 0.66666666666667 0.78818321723760 137.327 3 Ba 0.66666666666667 0.33333333333333 0.21181678276239 137.327 *4 Ba 0.33333333333333 0.66666666666667 0.43155561736661 137.327 5 Ba 0.66666666666667 0.33333333333333 0.56844438263339 137.327 *6 Ta 0.00000000000000 0.00000000000000 0.68623517872865 180.948 7 Ta 0.00000000000000 0.00000000000000 0.31376482127135 180.948 *8 Ta 0.33333333333333 0.66666666666667 0.10371020438411 180.948 9 Ta 0.66666666666667 0.33333333333333 0.89628979561589 180.948 *10 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 11 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 12 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 *13 O 0.16816760855099 0.83183239144901 0.19113984668910 15.999 14 O 0.16816760855099 0.33633521710198 0.19113984668910 15.999 15 O 0.66366478289802 0.83183239144901 0.19113984668910 15.999 16 O 0.33633521710198 0.16816760855099 0.80886015331090 15.999 17 O 0.83183239144901 0.66366478289802 0.80886015331090 15.999 18 O 0.83183239144901 0.16816760855099 0.80886015331090 15.999 *19 O 0.16432255889746 0.83567744110253 0.61314497543045 15.999 20 O 0.16432255889746 0.32864511779493 0.61314497543045 15.999 21 O 0.67135488220507 0.83567744110253 0.61314497543045 15.999 22 O 0.32864511779493 0.16432255889746 0.38685502456955 15.999 23 O 0.83567744110253 0.67135488220507 0.38685502456955 15.999 24 O 0.83567744110253 0.16432255889746 0.38685502456955 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.784682073226117 0.000000000000000 0.000000000000000 b -2.892341036613058 5.009681628230251 0.000000000000000 c 0.000000000000000 0.000000000000000 11.815497000000001 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 *2 Ba 0.33333333333333 0.66666666666667 0.78818321723760 137.327 > 2 3 Ba 0.66666666666667 0.33333333333333 0.21181678276239 137.327 > 3 *4 Ba 0.33333333333333 0.66666666666667 0.43155561736661 137.327 > 4 5 Ba 0.66666666666667 0.33333333333333 0.56844438263339 137.327 > 5 *6 Ta 0.00000000000000 0.00000000000000 0.68623517872865 180.948 > 6 7 Ta 0.00000000000000 0.00000000000000 0.31376482127135 180.948 > 7 *8 Ta 0.33333333333333 0.66666666666667 0.10371020438411 180.948 > 8 9 Ta 0.66666666666667 0.33333333333333 0.89628979561589 180.948 > 9 *10 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 10 11 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 11 12 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 12 *13 O 0.16816760855099 0.83183239144901 0.19113984668910 15.999 > 13 14 O 0.16816760855099 0.33633521710198 0.19113984668910 15.999 > 14 15 O 0.66366478289802 0.83183239144901 0.19113984668910 15.999 > 15 16 O 0.33633521710198 0.16816760855099 0.80886015331090 15.999 > 16 17 O 0.83183239144901 0.66366478289802 0.80886015331090 15.999 > 17 18 O 0.83183239144901 0.16816760855099 0.80886015331090 15.999 > 18 *19 O 0.16432255889746 0.83567744110253 0.61314497543045 15.999 > 19 20 O 0.16432255889746 0.32864511779493 0.61314497543045 15.999 > 20 21 O 0.67135488220507 0.83567744110253 0.61314497543045 15.999 > 21 22 O 0.32864511779493 0.16432255889746 0.38685502456955 15.999 > 22 23 O 0.83567744110253 0.67135488220507 0.38685502456955 15.999 > 23 24 O 0.83567744110253 0.16432255889746 0.38685502456955 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.569364146452234 0.000000000000000 0.000000000000000 b -5.784682073226116 10.019363256460503 0.000000000000000 c 0.000000000000000 0.000000000000000 11.815497000000001 Atomic positions (fractional): *1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 4 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 1 *5 Ba 0.16666666666667 0.33333333333333 0.78818321723760 137.327 > 2 6 Ba 0.66666666666667 0.33333333333333 0.78818321723760 137.327 > 2 7 Ba 0.16666666666667 0.83333333333333 0.78818321723760 137.327 > 2 8 Ba 0.66666666666667 0.83333333333333 0.78818321723760 137.327 > 2 9 Ba 0.33333333333333 0.16666666666667 0.21181678276239 137.327 > 3 10 Ba 0.83333333333333 0.16666666666667 0.21181678276239 137.327 > 3 11 Ba 0.33333333333333 0.66666666666667 0.21181678276239 137.327 > 3 12 Ba 0.83333333333333 0.66666666666667 0.21181678276239 137.327 > 3 *13 Ba 0.16666666666667 0.33333333333333 0.43155561736661 137.327 > 4 14 Ba 0.66666666666667 0.33333333333333 0.43155561736661 137.327 > 4 15 Ba 0.16666666666667 0.83333333333333 0.43155561736661 137.327 > 4 16 Ba 0.66666666666667 0.83333333333333 0.43155561736661 137.327 > 4 17 Ba 0.33333333333333 0.16666666666667 0.56844438263339 137.327 > 5 18 Ba 0.83333333333333 0.16666666666667 0.56844438263339 137.327 > 5 19 Ba 0.33333333333333 0.66666666666667 0.56844438263339 137.327 > 5 20 Ba 0.83333333333333 0.66666666666667 0.56844438263339 137.327 > 5 *21 Ta 0.00000000000000 0.00000000000000 0.68623517872865 180.948 > 6 22 Ta 0.50000000000000 0.00000000000000 0.68623517872865 180.948 > 6 23 Ta 0.00000000000000 0.50000000000000 0.68623517872865 180.948 > 6 24 Ta 0.50000000000000 0.50000000000000 0.68623517872865 180.948 > 6 25 Ta 0.00000000000000 0.00000000000000 0.31376482127135 180.948 > 7 26 Ta 0.50000000000000 0.00000000000000 0.31376482127135 180.948 > 7 27 Ta 0.00000000000000 0.50000000000000 0.31376482127135 180.948 > 7 28 Ta 0.50000000000000 0.50000000000000 0.31376482127135 180.948 > 7 *29 Ta 0.16666666666667 0.33333333333333 0.10371020438411 180.948 > 8 30 Ta 0.66666666666667 0.33333333333333 0.10371020438411 180.948 > 8 31 Ta 0.16666666666667 0.83333333333333 0.10371020438411 180.948 > 8 32 Ta 0.66666666666667 0.83333333333333 0.10371020438411 180.948 > 8 33 Ta 0.33333333333333 0.16666666666667 0.89628979561589 180.948 > 9 34 Ta 0.83333333333333 0.16666666666667 0.89628979561589 180.948 > 9 35 Ta 0.33333333333333 0.66666666666667 0.89628979561589 180.948 > 9 36 Ta 0.83333333333333 0.66666666666667 0.89628979561589 180.948 > 9 *37 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 10 38 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 10 39 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 10 40 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 10 41 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 11 42 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 11 43 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 11 44 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 11 45 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 12 46 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 12 47 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 12 48 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 12 *49 O 0.08408380427550 0.41591619572450 0.19113984668910 15.999 > 13 50 O 0.58408380427550 0.41591619572450 0.19113984668910 15.999 > 13 51 O 0.08408380427550 0.91591619572450 0.19113984668910 15.999 > 13 52 O 0.58408380427550 0.91591619572450 0.19113984668910 15.999 > 13 53 O 0.08408380427550 0.16816760855099 0.19113984668910 15.999 > 14 54 O 0.58408380427550 0.16816760855099 0.19113984668910 15.999 > 14 55 O 0.08408380427550 0.66816760855099 0.19113984668910 15.999 > 14 56 O 0.58408380427550 0.66816760855099 0.19113984668910 15.999 > 14 57 O 0.33183239144901 0.41591619572450 0.19113984668910 15.999 > 15 58 O 0.83183239144901 0.41591619572450 0.19113984668910 15.999 > 15 59 O 0.33183239144901 0.91591619572450 0.19113984668910 15.999 > 15 60 O 0.83183239144901 0.91591619572450 0.19113984668910 15.999 > 15 61 O 0.16816760855099 0.08408380427550 0.80886015331090 15.999 > 16 62 O 0.66816760855099 0.08408380427550 0.80886015331090 15.999 > 16 63 O 0.16816760855099 0.58408380427550 0.80886015331090 15.999 > 16 64 O 0.66816760855099 0.58408380427550 0.80886015331090 15.999 > 16 65 O 0.41591619572450 0.33183239144901 0.80886015331090 15.999 > 17 66 O 0.91591619572450 0.33183239144901 0.80886015331090 15.999 > 17 67 O 0.41591619572450 0.83183239144901 0.80886015331090 15.999 > 17 68 O 0.91591619572450 0.83183239144901 0.80886015331090 15.999 > 17 69 O 0.41591619572450 0.08408380427550 0.80886015331090 15.999 > 18 70 O 0.91591619572450 0.08408380427550 0.80886015331090 15.999 > 18 71 O 0.41591619572450 0.58408380427550 0.80886015331090 15.999 > 18 72 O 0.91591619572450 0.58408380427550 0.80886015331090 15.999 > 18 *73 O 0.08216127944873 0.41783872055127 0.61314497543045 15.999 > 19 74 O 0.58216127944873 0.41783872055127 0.61314497543045 15.999 > 19 75 O 0.08216127944873 0.91783872055127 0.61314497543045 15.999 > 19 76 O 0.58216127944873 0.91783872055127 0.61314497543045 15.999 > 19 77 O 0.08216127944873 0.16432255889746 0.61314497543045 15.999 > 20 78 O 0.58216127944873 0.16432255889746 0.61314497543045 15.999 > 20 79 O 0.08216127944873 0.66432255889747 0.61314497543045 15.999 > 20 80 O 0.58216127944873 0.66432255889747 0.61314497543045 15.999 > 20 81 O 0.33567744110254 0.41783872055127 0.61314497543045 15.999 > 21 82 O 0.83567744110253 0.41783872055127 0.61314497543045 15.999 > 21 83 O 0.33567744110254 0.91783872055127 0.61314497543045 15.999 > 21 84 O 0.83567744110253 0.91783872055127 0.61314497543045 15.999 > 21 85 O 0.16432255889746 0.08216127944873 0.38685502456955 15.999 > 22 86 O 0.66432255889747 0.08216127944873 0.38685502456955 15.999 > 22 87 O 0.16432255889746 0.58216127944873 0.38685502456955 15.999 > 22 88 O 0.66432255889747 0.58216127944873 0.38685502456955 15.999 > 22 89 O 0.41783872055127 0.33567744110254 0.38685502456955 15.999 > 23 90 O 0.91783872055127 0.33567744110254 0.38685502456955 15.999 > 23 91 O 0.41783872055127 0.83567744110253 0.38685502456955 15.999 > 23 92 O 0.91783872055127 0.83567744110253 0.38685502456955 15.999 > 23 93 O 0.41783872055127 0.08216127944873 0.38685502456955 15.999 > 24 94 O 0.91783872055127 0.08216127944873 0.38685502456955 15.999 > 24 95 O 0.41783872055127 0.58216127944873 0.38685502456955 15.999 > 24 96 O 0.91783872055127 0.58216127944873 0.38685502456955 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0332800 0.0000000 0.0000000 0.0000000 5.0332800 0.0000000 0.0000000 0.0000000 4.4981608 -------------------------- Born effective charges -------------------------- 1 Ba 2.9050690 0.0000000 0.0000000 -0.0000000 2.9050690 -0.0000000 0.0000000 0.0000000 2.1401202 2 Ba 2.9112619 0.0000000 0.0000000 0.0000000 2.9112619 -0.0000000 0.0000000 0.0000000 2.4552178 3 Ba 2.9112619 0.0000000 0.0000000 0.0000000 2.9112619 -0.0000000 0.0000000 0.0000000 2.4552178 4 Ba 2.9232780 -0.0000000 0.0000000 -0.0000000 2.9232780 -0.0000000 0.0000000 0.0000000 3.4975792 5 Ba 2.9232780 -0.0000000 0.0000000 -0.0000000 2.9232780 -0.0000000 0.0000000 0.0000000 3.4975792 6 Ta 6.1844286 0.0000000 0.0000000 0.0000000 6.1844286 -0.0000000 0.0000000 0.0000000 4.7391479 7 Ta 6.1844286 0.0000000 0.0000000 0.0000000 6.1844286 -0.0000000 0.0000000 0.0000000 4.7391479 8 Ta 7.6345967 -0.0000000 0.0000000 -0.0000000 7.6345967 -0.0000000 0.0000000 0.0000000 5.9933840 9 Ta 7.6345967 -0.0000000 0.0000000 -0.0000000 7.6345967 -0.0000000 0.0000000 0.0000000 5.9933840 10 O -1.9547944 0.0000000 -0.0000000 -0.0000000 -4.3652942 1.7693155 0.0000000 1.4761194 -2.6179692 11 O -3.7626693 -1.0437770 -1.5322722 -1.0437770 -2.5574193 -0.8846578 -1.2783569 -0.7380597 -2.6179692 12 O -3.7626693 1.0437770 1.5322722 1.0437770 -2.5574193 -0.8846578 1.2783569 -0.7380597 -2.6179692 13 O -3.5137072 0.9731062 1.3048539 0.9731062 -2.3900609 -0.7533577 1.1169258 -0.6448574 -2.4550441 14 O -1.8282378 0.0000000 -0.0000000 -0.0000000 -4.0755303 1.5067155 0.0000000 1.2897149 -2.4550441 15 O -3.5137072 -0.9731062 -1.3048539 -0.9731062 -2.3900609 -0.7533577 -1.1169258 -0.6448574 -2.4550441 16 O -3.5137072 -0.9731062 -1.3048539 -0.9731062 -2.3900609 -0.7533577 -1.1169258 -0.6448574 -2.4550441 17 O -1.8282378 0.0000000 -0.0000000 -0.0000000 -4.0755303 1.5067155 0.0000000 1.2897149 -2.4550441 18 O -3.5137072 0.9731062 1.3048539 0.9731062 -2.3900609 -0.7533577 1.1169258 -0.6448574 -2.4550441 19 O -2.9185318 0.7189248 0.5956182 0.7189248 -2.0883889 -0.3438803 0.6989581 -0.4035436 -2.1544343 20 O -1.6733175 0.0000000 -0.0000000 -0.0000000 -3.3336033 0.6877607 0.0000000 0.8070873 -2.1544343 21 O -2.9185318 -0.7189248 -0.5956182 -0.7189248 -2.0883889 -0.3438803 -0.6989581 -0.4035436 -2.1544343 22 O -2.9185318 -0.7189248 -0.5956182 -0.7189248 -2.0883889 -0.3438803 -0.6989581 -0.4035436 -2.1544343 23 O -1.6733175 0.0000000 -0.0000000 -0.0000000 -3.3336033 0.6877607 0.0000000 0.8070873 -2.1544343 24 O -2.9185318 0.7189248 0.5956182 0.7189248 -2.0883889 -0.3438803 0.6989581 -0.4035436 -2.1544343 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 980 Number of blocks in projector: 657 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 373 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 175 Use standard eigh solver. Tree of FC basis block matrices: - (980, 955), data: False |-- (175, 167), data: True |-- (373, 367), data: True |-- (432, 421), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.031 Solver_block: 100 / 240 - Time: 0.887 Solver_block: 200 / 240 - Time: 0.900 Solver_block: 240 / 240 - Time: 0.421 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.395 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 980 Number of blocks in projector: 657 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 373 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 175 Use standard eigh solver. Tree of FC basis block matrices: - (980, 955), data: False |-- (175, 167), data: True |-- (373, 367), data: True |-- (432, 421), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:33:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:33:23]------------------------- 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): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.784682073226117 0.000000000000000 0.000000000000000 b -2.892341036613058 5.009681628230251 0.000000000000000 c 0.000000000000000 0.000000000000000 11.815497000000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 2 Ba 0.33333333333333 0.66666666666667 0.78818321723760 137.327 3 Ba 0.66666666666667 0.33333333333333 0.21181678276239 137.327 4 Ba 0.33333333333333 0.66666666666667 0.43155561736661 137.327 5 Ba 0.66666666666667 0.33333333333333 0.56844438263339 137.327 6 Ta 0.00000000000000 0.00000000000000 0.68623517872865 180.948 7 Ta 0.00000000000000 0.00000000000000 0.31376482127135 180.948 8 Ta 0.33333333333333 0.66666666666667 0.10371020438411 180.948 9 Ta 0.66666666666667 0.33333333333333 0.89628979561589 180.948 10 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 11 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 12 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 13 O 0.16816760855099 0.83183239144901 0.19113984668910 15.999 14 O 0.16816760855099 0.33633521710198 0.19113984668910 15.999 15 O 0.66366478289802 0.83183239144901 0.19113984668910 15.999 16 O 0.33633521710198 0.16816760855099 0.80886015331090 15.999 17 O 0.83183239144901 0.66366478289802 0.80886015331090 15.999 18 O 0.83183239144901 0.16816760855099 0.80886015331090 15.999 19 O 0.16432255889746 0.83567744110253 0.61314497543045 15.999 20 O 0.16432255889746 0.32864511779493 0.61314497543045 15.999 21 O 0.67135488220507 0.83567744110253 0.61314497543045 15.999 22 O 0.32864511779493 0.16432255889746 0.38685502456955 15.999 23 O 0.83567744110253 0.67135488220507 0.38685502456955 15.999 24 O 0.83567744110253 0.16432255889746 0.38685502456955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.569364146452234 0.000000000000000 0.000000000000000 b -5.784682073226116 10.019363256460503 0.000000000000000 c 0.000000000000000 0.000000000000000 11.815497000000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 4 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 1 5 Ba 0.16666666666667 0.33333333333333 0.78818321723760 137.327 > 5 6 Ba 0.66666666666667 0.33333333333333 0.78818321723760 137.327 > 5 7 Ba 0.16666666666667 0.83333333333333 0.78818321723760 137.327 > 5 8 Ba 0.66666666666667 0.83333333333333 0.78818321723760 137.327 > 5 9 Ba 0.33333333333333 0.16666666666667 0.21181678276239 137.327 > 9 10 Ba 0.83333333333333 0.16666666666667 0.21181678276239 137.327 > 9 11 Ba 0.33333333333333 0.66666666666667 0.21181678276239 137.327 > 9 12 Ba 0.83333333333333 0.66666666666667 0.21181678276239 137.327 > 9 13 Ba 0.16666666666667 0.33333333333333 0.43155561736661 137.327 > 13 14 Ba 0.66666666666667 0.33333333333333 0.43155561736661 137.327 > 13 15 Ba 0.16666666666667 0.83333333333333 0.43155561736661 137.327 > 13 16 Ba 0.66666666666667 0.83333333333333 0.43155561736661 137.327 > 13 17 Ba 0.33333333333333 0.16666666666667 0.56844438263339 137.327 > 17 18 Ba 0.83333333333333 0.16666666666667 0.56844438263339 137.327 > 17 19 Ba 0.33333333333333 0.66666666666667 0.56844438263339 137.327 > 17 20 Ba 0.83333333333333 0.66666666666667 0.56844438263339 137.327 > 17 21 Ta 0.00000000000000 0.00000000000000 0.68623517872865 180.948 > 21 22 Ta 0.50000000000000 0.00000000000000 0.68623517872865 180.948 > 21 23 Ta 0.00000000000000 0.50000000000000 0.68623517872865 180.948 > 21 24 Ta 0.50000000000000 0.50000000000000 0.68623517872865 180.948 > 21 25 Ta 0.00000000000000 0.00000000000000 0.31376482127135 180.948 > 25 26 Ta 0.50000000000000 0.00000000000000 0.31376482127135 180.948 > 25 27 Ta 0.00000000000000 0.50000000000000 0.31376482127135 180.948 > 25 28 Ta 0.50000000000000 0.50000000000000 0.31376482127135 180.948 > 25 29 Ta 0.16666666666667 0.33333333333333 0.10371020438411 180.948 > 29 30 Ta 0.66666666666667 0.33333333333333 0.10371020438411 180.948 > 29 31 Ta 0.16666666666667 0.83333333333333 0.10371020438411 180.948 > 29 32 Ta 0.66666666666667 0.83333333333333 0.10371020438411 180.948 > 29 33 Ta 0.33333333333333 0.16666666666667 0.89628979561589 180.948 > 33 34 Ta 0.83333333333333 0.16666666666667 0.89628979561589 180.948 > 33 35 Ta 0.33333333333333 0.66666666666667 0.89628979561589 180.948 > 33 36 Ta 0.83333333333333 0.66666666666667 0.89628979561589 180.948 > 33 37 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 37 38 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 37 39 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 37 40 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 37 41 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 41 42 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 41 43 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 41 44 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 41 45 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 45 46 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 45 47 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 45 48 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 45 49 O 0.08408380427550 0.41591619572450 0.19113984668910 15.999 > 49 50 O 0.58408380427550 0.41591619572450 0.19113984668910 15.999 > 49 51 O 0.08408380427550 0.91591619572450 0.19113984668910 15.999 > 49 52 O 0.58408380427550 0.91591619572450 0.19113984668910 15.999 > 49 53 O 0.08408380427550 0.16816760855099 0.19113984668910 15.999 > 53 54 O 0.58408380427550 0.16816760855099 0.19113984668910 15.999 > 53 55 O 0.08408380427550 0.66816760855099 0.19113984668910 15.999 > 53 56 O 0.58408380427550 0.66816760855099 0.19113984668910 15.999 > 53 57 O 0.33183239144901 0.41591619572450 0.19113984668910 15.999 > 57 58 O 0.83183239144901 0.41591619572450 0.19113984668910 15.999 > 57 59 O 0.33183239144901 0.91591619572450 0.19113984668910 15.999 > 57 60 O 0.83183239144901 0.91591619572450 0.19113984668910 15.999 > 57 61 O 0.16816760855099 0.08408380427550 0.80886015331090 15.999 > 61 62 O 0.66816760855099 0.08408380427550 0.80886015331090 15.999 > 61 63 O 0.16816760855099 0.58408380427550 0.80886015331090 15.999 > 61 64 O 0.66816760855099 0.58408380427550 0.80886015331090 15.999 > 61 65 O 0.41591619572450 0.33183239144901 0.80886015331090 15.999 > 65 66 O 0.91591619572450 0.33183239144901 0.80886015331090 15.999 > 65 67 O 0.41591619572450 0.83183239144901 0.80886015331090 15.999 > 65 68 O 0.91591619572450 0.83183239144901 0.80886015331090 15.999 > 65 69 O 0.41591619572450 0.08408380427550 0.80886015331090 15.999 > 69 70 O 0.91591619572450 0.08408380427550 0.80886015331090 15.999 > 69 71 O 0.41591619572450 0.58408380427550 0.80886015331090 15.999 > 69 72 O 0.91591619572450 0.58408380427550 0.80886015331090 15.999 > 69 73 O 0.08216127944873 0.41783872055127 0.61314497543045 15.999 > 73 74 O 0.58216127944873 0.41783872055127 0.61314497543045 15.999 > 73 75 O 0.08216127944873 0.91783872055127 0.61314497543045 15.999 > 73 76 O 0.58216127944873 0.91783872055127 0.61314497543045 15.999 > 73 77 O 0.08216127944873 0.16432255889746 0.61314497543045 15.999 > 77 78 O 0.58216127944873 0.16432255889746 0.61314497543045 15.999 > 77 79 O 0.08216127944873 0.66432255889747 0.61314497543045 15.999 > 77 80 O 0.58216127944873 0.66432255889747 0.61314497543045 15.999 > 77 81 O 0.33567744110254 0.41783872055127 0.61314497543045 15.999 > 81 82 O 0.83567744110253 0.41783872055127 0.61314497543045 15.999 > 81 83 O 0.33567744110254 0.91783872055127 0.61314497543045 15.999 > 81 84 O 0.83567744110253 0.91783872055127 0.61314497543045 15.999 > 81 85 O 0.16432255889746 0.08216127944873 0.38685502456955 15.999 > 85 86 O 0.66432255889747 0.08216127944873 0.38685502456955 15.999 > 85 87 O 0.16432255889746 0.58216127944873 0.38685502456955 15.999 > 85 88 O 0.66432255889747 0.58216127944873 0.38685502456955 15.999 > 85 89 O 0.41783872055127 0.33567744110254 0.38685502456955 15.999 > 89 90 O 0.91783872055127 0.33567744110254 0.38685502456955 15.999 > 89 91 O 0.41783872055127 0.83567744110253 0.38685502456955 15.999 > 89 92 O 0.91783872055127 0.83567744110253 0.38685502456955 15.999 > 89 93 O 0.41783872055127 0.08216127944873 0.38685502456955 15.999 > 93 94 O 0.91783872055127 0.08216127944873 0.38685502456955 15.999 > 93 95 O 0.41783872055127 0.58216127944873 0.38685502456955 15.999 > 93 96 O 0.91783872055127 0.58216127944873 0.38685502456955 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0332800 0.0000000 0.0000000 0.0000000 5.0332800 0.0000000 0.0000000 0.0000000 4.4981608 -------------------------- Born effective charges -------------------------- 1 Ba 2.9050690 0.0000000 0.0000000 -0.0000000 2.9050690 -0.0000000 0.0000000 0.0000000 2.1401202 2 Ba 2.9112619 0.0000000 0.0000000 0.0000000 2.9112619 -0.0000000 0.0000000 0.0000000 2.4552178 3 Ba 2.9112619 0.0000000 0.0000000 0.0000000 2.9112619 -0.0000000 0.0000000 0.0000000 2.4552178 4 Ba 2.9232780 -0.0000000 0.0000000 -0.0000000 2.9232780 -0.0000000 0.0000000 0.0000000 3.4975792 5 Ba 2.9232780 -0.0000000 0.0000000 -0.0000000 2.9232780 -0.0000000 0.0000000 0.0000000 3.4975792 6 Ta 6.1844286 0.0000000 0.0000000 0.0000000 6.1844286 -0.0000000 0.0000000 0.0000000 4.7391479 7 Ta 6.1844286 0.0000000 0.0000000 0.0000000 6.1844286 -0.0000000 0.0000000 0.0000000 4.7391479 8 Ta 7.6345967 -0.0000000 0.0000000 -0.0000000 7.6345967 -0.0000000 0.0000000 0.0000000 5.9933840 9 Ta 7.6345967 -0.0000000 0.0000000 -0.0000000 7.6345967 -0.0000000 0.0000000 0.0000000 5.9933840 10 O -1.9547944 0.0000000 -0.0000000 -0.0000000 -4.3652942 1.7693155 0.0000000 1.4761194 -2.6179692 11 O -3.7626693 -1.0437770 -1.5322722 -1.0437770 -2.5574193 -0.8846578 -1.2783569 -0.7380597 -2.6179692 12 O -3.7626693 1.0437770 1.5322722 1.0437770 -2.5574193 -0.8846578 1.2783569 -0.7380597 -2.6179692 13 O -3.5137072 0.9731062 1.3048539 0.9731062 -2.3900609 -0.7533577 1.1169258 -0.6448574 -2.4550441 14 O -1.8282378 0.0000000 -0.0000000 -0.0000000 -4.0755303 1.5067155 0.0000000 1.2897149 -2.4550441 15 O -3.5137072 -0.9731062 -1.3048539 -0.9731062 -2.3900609 -0.7533577 -1.1169258 -0.6448574 -2.4550441 16 O -3.5137072 -0.9731062 -1.3048539 -0.9731062 -2.3900609 -0.7533577 -1.1169258 -0.6448574 -2.4550441 17 O -1.8282378 0.0000000 -0.0000000 -0.0000000 -4.0755303 1.5067155 0.0000000 1.2897149 -2.4550441 18 O -3.5137072 0.9731062 1.3048539 0.9731062 -2.3900609 -0.7533577 1.1169258 -0.6448574 -2.4550441 19 O -2.9185318 0.7189248 0.5956182 0.7189248 -2.0883889 -0.3438803 0.6989581 -0.4035436 -2.1544343 20 O -1.6733175 0.0000000 -0.0000000 -0.0000000 -3.3336033 0.6877607 0.0000000 0.8070873 -2.1544343 21 O -2.9185318 -0.7189248 -0.5956182 -0.7189248 -2.0883889 -0.3438803 -0.6989581 -0.4035436 -2.1544343 22 O -2.9185318 -0.7189248 -0.5956182 -0.7189248 -2.0883889 -0.3438803 -0.6989581 -0.4035436 -2.1544343 23 O -1.6733175 0.0000000 -0.0000000 -0.0000000 -3.3336033 0.6877607 0.0000000 0.8070873 -2.1544343 24 O -2.9185318 0.7189248 0.5956182 0.7189248 -2.0883889 -0.3438803 0.6989581 -0.4035436 -2.1544343 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, 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[ 13, 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[ 21, 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[ 29, 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[ 37, 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[ 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000006 (xxy) 0.00000006 (xxy) 0.00000006 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zy) 0.00000002 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:33:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:33:38]------------------------- 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): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.784682073226117 0.000000000000000 0.000000000000000 b -2.892341036613058 5.009681628230251 0.000000000000000 c 0.000000000000000 0.000000000000000 11.815497000000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 2 Ba 0.33333333333333 0.66666666666667 0.78818321723760 137.327 3 Ba 0.66666666666667 0.33333333333333 0.21181678276239 137.327 4 Ba 0.33333333333333 0.66666666666667 0.43155561736661 137.327 5 Ba 0.66666666666667 0.33333333333333 0.56844438263339 137.327 6 Ta 0.00000000000000 0.00000000000000 0.68623517872865 180.948 7 Ta 0.00000000000000 0.00000000000000 0.31376482127135 180.948 8 Ta 0.33333333333333 0.66666666666667 0.10371020438411 180.948 9 Ta 0.66666666666667 0.33333333333333 0.89628979561589 180.948 10 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 11 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 12 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 13 O 0.16816760855099 0.83183239144901 0.19113984668910 15.999 14 O 0.16816760855099 0.33633521710198 0.19113984668910 15.999 15 O 0.66366478289802 0.83183239144901 0.19113984668910 15.999 16 O 0.33633521710198 0.16816760855099 0.80886015331090 15.999 17 O 0.83183239144901 0.66366478289802 0.80886015331090 15.999 18 O 0.83183239144901 0.16816760855099 0.80886015331090 15.999 19 O 0.16432255889746 0.83567744110253 0.61314497543045 15.999 20 O 0.16432255889746 0.32864511779493 0.61314497543045 15.999 21 O 0.67135488220507 0.83567744110253 0.61314497543045 15.999 22 O 0.32864511779493 0.16432255889746 0.38685502456955 15.999 23 O 0.83567744110253 0.67135488220507 0.38685502456955 15.999 24 O 0.83567744110253 0.16432255889746 0.38685502456955 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.569364146452234 0.000000000000000 0.000000000000000 b -5.784682073226116 10.019363256460503 0.000000000000000 c 0.000000000000000 0.000000000000000 11.815497000000001 Atomic positions (fractional): 1 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 1 3 Ba 0.00000000000000 0.50000000000000 0.00000000000000 137.327 > 1 4 Ba 0.50000000000000 0.50000000000000 0.00000000000000 137.327 > 1 5 Ba 0.16666666666667 0.33333333333333 0.78818321723760 137.327 > 5 6 Ba 0.66666666666667 0.33333333333333 0.78818321723760 137.327 > 5 7 Ba 0.16666666666667 0.83333333333333 0.78818321723760 137.327 > 5 8 Ba 0.66666666666667 0.83333333333333 0.78818321723760 137.327 > 5 9 Ba 0.33333333333333 0.16666666666667 0.21181678276239 137.327 > 9 10 Ba 0.83333333333333 0.16666666666667 0.21181678276239 137.327 > 9 11 Ba 0.33333333333333 0.66666666666667 0.21181678276239 137.327 > 9 12 Ba 0.83333333333333 0.66666666666667 0.21181678276239 137.327 > 9 13 Ba 0.16666666666667 0.33333333333333 0.43155561736661 137.327 > 13 14 Ba 0.66666666666667 0.33333333333333 0.43155561736661 137.327 > 13 15 Ba 0.16666666666667 0.83333333333333 0.43155561736661 137.327 > 13 16 Ba 0.66666666666667 0.83333333333333 0.43155561736661 137.327 > 13 17 Ba 0.33333333333333 0.16666666666667 0.56844438263339 137.327 > 17 18 Ba 0.83333333333333 0.16666666666667 0.56844438263339 137.327 > 17 19 Ba 0.33333333333333 0.66666666666667 0.56844438263339 137.327 > 17 20 Ba 0.83333333333333 0.66666666666667 0.56844438263339 137.327 > 17 21 Ta 0.00000000000000 0.00000000000000 0.68623517872865 180.948 > 21 22 Ta 0.50000000000000 0.00000000000000 0.68623517872865 180.948 > 21 23 Ta 0.00000000000000 0.50000000000000 0.68623517872865 180.948 > 21 24 Ta 0.50000000000000 0.50000000000000 0.68623517872865 180.948 > 21 25 Ta 0.00000000000000 0.00000000000000 0.31376482127135 180.948 > 25 26 Ta 0.50000000000000 0.00000000000000 0.31376482127135 180.948 > 25 27 Ta 0.00000000000000 0.50000000000000 0.31376482127135 180.948 > 25 28 Ta 0.50000000000000 0.50000000000000 0.31376482127135 180.948 > 25 29 Ta 0.16666666666667 0.33333333333333 0.10371020438411 180.948 > 29 30 Ta 0.66666666666667 0.33333333333333 0.10371020438411 180.948 > 29 31 Ta 0.16666666666667 0.83333333333333 0.10371020438411 180.948 > 29 32 Ta 0.66666666666667 0.83333333333333 0.10371020438411 180.948 > 29 33 Ta 0.33333333333333 0.16666666666667 0.89628979561589 180.948 > 33 34 Ta 0.83333333333333 0.16666666666667 0.89628979561589 180.948 > 33 35 Ta 0.33333333333333 0.66666666666667 0.89628979561589 180.948 > 33 36 Ta 0.83333333333333 0.66666666666667 0.89628979561589 180.948 > 33 37 O 0.25000000000000 0.00000000000000 0.00000000000000 15.999 > 37 38 O 0.75000000000000 0.00000000000000 0.00000000000000 15.999 > 37 39 O 0.25000000000000 0.50000000000000 0.00000000000000 15.999 > 37 40 O 0.75000000000000 0.50000000000000 0.00000000000000 15.999 > 37 41 O 0.00000000000000 0.25000000000000 0.00000000000000 15.999 > 41 42 O 0.50000000000000 0.25000000000000 0.00000000000000 15.999 > 41 43 O 0.00000000000000 0.75000000000000 0.00000000000000 15.999 > 41 44 O 0.50000000000000 0.75000000000000 0.00000000000000 15.999 > 41 45 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 45 46 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 45 47 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 45 48 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 45 49 O 0.08408380427550 0.41591619572450 0.19113984668910 15.999 > 49 50 O 0.58408380427550 0.41591619572450 0.19113984668910 15.999 > 49 51 O 0.08408380427550 0.91591619572450 0.19113984668910 15.999 > 49 52 O 0.58408380427550 0.91591619572450 0.19113984668910 15.999 > 49 53 O 0.08408380427550 0.16816760855099 0.19113984668910 15.999 > 53 54 O 0.58408380427550 0.16816760855099 0.19113984668910 15.999 > 53 55 O 0.08408380427550 0.66816760855099 0.19113984668910 15.999 > 53 56 O 0.58408380427550 0.66816760855099 0.19113984668910 15.999 > 53 57 O 0.33183239144901 0.41591619572450 0.19113984668910 15.999 > 57 58 O 0.83183239144901 0.41591619572450 0.19113984668910 15.999 > 57 59 O 0.33183239144901 0.91591619572450 0.19113984668910 15.999 > 57 60 O 0.83183239144901 0.91591619572450 0.19113984668910 15.999 > 57 61 O 0.16816760855099 0.08408380427550 0.80886015331090 15.999 > 61 62 O 0.66816760855099 0.08408380427550 0.80886015331090 15.999 > 61 63 O 0.16816760855099 0.58408380427550 0.80886015331090 15.999 > 61 64 O 0.66816760855099 0.58408380427550 0.80886015331090 15.999 > 61 65 O 0.41591619572450 0.33183239144901 0.80886015331090 15.999 > 65 66 O 0.91591619572450 0.33183239144901 0.80886015331090 15.999 > 65 67 O 0.41591619572450 0.83183239144901 0.80886015331090 15.999 > 65 68 O 0.91591619572450 0.83183239144901 0.80886015331090 15.999 > 65 69 O 0.41591619572450 0.08408380427550 0.80886015331090 15.999 > 69 70 O 0.91591619572450 0.08408380427550 0.80886015331090 15.999 > 69 71 O 0.41591619572450 0.58408380427550 0.80886015331090 15.999 > 69 72 O 0.91591619572450 0.58408380427550 0.80886015331090 15.999 > 69 73 O 0.08216127944873 0.41783872055127 0.61314497543045 15.999 > 73 74 O 0.58216127944873 0.41783872055127 0.61314497543045 15.999 > 73 75 O 0.08216127944873 0.91783872055127 0.61314497543045 15.999 > 73 76 O 0.58216127944873 0.91783872055127 0.61314497543045 15.999 > 73 77 O 0.08216127944873 0.16432255889746 0.61314497543045 15.999 > 77 78 O 0.58216127944873 0.16432255889746 0.61314497543045 15.999 > 77 79 O 0.08216127944873 0.66432255889747 0.61314497543045 15.999 > 77 80 O 0.58216127944873 0.66432255889747 0.61314497543045 15.999 > 77 81 O 0.33567744110254 0.41783872055127 0.61314497543045 15.999 > 81 82 O 0.83567744110253 0.41783872055127 0.61314497543045 15.999 > 81 83 O 0.33567744110254 0.91783872055127 0.61314497543045 15.999 > 81 84 O 0.83567744110253 0.91783872055127 0.61314497543045 15.999 > 81 85 O 0.16432255889746 0.08216127944873 0.38685502456955 15.999 > 85 86 O 0.66432255889747 0.08216127944873 0.38685502456955 15.999 > 85 87 O 0.16432255889746 0.58216127944873 0.38685502456955 15.999 > 85 88 O 0.66432255889747 0.58216127944873 0.38685502456955 15.999 > 85 89 O 0.41783872055127 0.33567744110254 0.38685502456955 15.999 > 89 90 O 0.91783872055127 0.33567744110254 0.38685502456955 15.999 > 89 91 O 0.41783872055127 0.83567744110253 0.38685502456955 15.999 > 89 92 O 0.91783872055127 0.83567744110253 0.38685502456955 15.999 > 89 93 O 0.41783872055127 0.08216127944873 0.38685502456955 15.999 > 93 94 O 0.91783872055127 0.08216127944873 0.38685502456955 15.999 > 93 95 O 0.41783872055127 0.58216127944873 0.38685502456955 15.999 > 93 96 O 0.91783872055127 0.58216127944873 0.38685502456955 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0332800 0.0000000 0.0000000 0.0000000 5.0332800 0.0000000 0.0000000 0.0000000 4.4981608 -------------------------- Born effective charges -------------------------- 1 Ba 2.9050690 0.0000000 0.0000000 -0.0000000 2.9050690 -0.0000000 0.0000000 0.0000000 2.1401202 2 Ba 2.9112619 0.0000000 0.0000000 0.0000000 2.9112619 -0.0000000 0.0000000 0.0000000 2.4552178 3 Ba 2.9112619 0.0000000 0.0000000 0.0000000 2.9112619 -0.0000000 0.0000000 0.0000000 2.4552178 4 Ba 2.9232780 -0.0000000 0.0000000 -0.0000000 2.9232780 -0.0000000 0.0000000 0.0000000 3.4975792 5 Ba 2.9232780 -0.0000000 0.0000000 -0.0000000 2.9232780 -0.0000000 0.0000000 0.0000000 3.4975792 6 Ta 6.1844286 0.0000000 0.0000000 0.0000000 6.1844286 -0.0000000 0.0000000 0.0000000 4.7391479 7 Ta 6.1844286 0.0000000 0.0000000 0.0000000 6.1844286 -0.0000000 0.0000000 0.0000000 4.7391479 8 Ta 7.6345967 -0.0000000 0.0000000 -0.0000000 7.6345967 -0.0000000 0.0000000 0.0000000 5.9933840 9 Ta 7.6345967 -0.0000000 0.0000000 -0.0000000 7.6345967 -0.0000000 0.0000000 0.0000000 5.9933840 10 O -1.9547944 0.0000000 -0.0000000 -0.0000000 -4.3652942 1.7693155 0.0000000 1.4761194 -2.6179692 11 O -3.7626693 -1.0437770 -1.5322722 -1.0437770 -2.5574193 -0.8846578 -1.2783569 -0.7380597 -2.6179692 12 O -3.7626693 1.0437770 1.5322722 1.0437770 -2.5574193 -0.8846578 1.2783569 -0.7380597 -2.6179692 13 O -3.5137072 0.9731062 1.3048539 0.9731062 -2.3900609 -0.7533577 1.1169258 -0.6448574 -2.4550441 14 O -1.8282378 0.0000000 -0.0000000 -0.0000000 -4.0755303 1.5067155 0.0000000 1.2897149 -2.4550441 15 O -3.5137072 -0.9731062 -1.3048539 -0.9731062 -2.3900609 -0.7533577 -1.1169258 -0.6448574 -2.4550441 16 O -3.5137072 -0.9731062 -1.3048539 -0.9731062 -2.3900609 -0.7533577 -1.1169258 -0.6448574 -2.4550441 17 O -1.8282378 0.0000000 -0.0000000 -0.0000000 -4.0755303 1.5067155 0.0000000 1.2897149 -2.4550441 18 O -3.5137072 0.9731062 1.3048539 0.9731062 -2.3900609 -0.7533577 1.1169258 -0.6448574 -2.4550441 19 O -2.9185318 0.7189248 0.5956182 0.7189248 -2.0883889 -0.3438803 0.6989581 -0.4035436 -2.1544343 20 O -1.6733175 0.0000000 -0.0000000 -0.0000000 -3.3336033 0.6877607 0.0000000 0.8070873 -2.1544343 21 O -2.9185318 -0.7189248 -0.5956182 -0.7189248 -2.0883889 -0.3438803 -0.6989581 -0.4035436 -2.1544343 22 O -2.9185318 -0.7189248 -0.5956182 -0.7189248 -2.0883889 -0.3438803 -0.6989581 -0.4035436 -2.1544343 23 O -1.6733175 0.0000000 -0.0000000 -0.0000000 -3.3336033 0.6877607 0.0000000 0.8070873 -2.1544343 24 O -2.9185318 0.7189248 0.5956182 0.7189248 -2.0883889 -0.3438803 0.6989581 -0.4035436 -2.1544343 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xxy) 0.00000006 (xxy) 0.00000006 (xyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] 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: 0.59, Number of G-points: 309, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 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 2.011 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.564 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 4.817 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.200 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.089 ( 0.000 0.000 0.000) 0.000 9.089 ( 0.000 0.000 0.000) 0.000 10.460 ( 0.000 0.000 0.000) 0.000 10.460 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 0.000) 0.000 12.135 ( 0.000 0.000 0.000) 0.000 12.206 ( 0.000 0.000 0.000) 0.000 12.206 ( 0.000 0.000 0.000) 0.000 12.339 ( 0.000 0.000 0.000) 0.000 12.432 ( 0.000 0.000 0.000) 0.000 12.678 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 16.918 ( 0.000 0.000 0.000) 0.000 16.918 ( 0.000 0.000 0.000) 0.000 17.132 ( 0.000 0.000 0.000) 0.000 20.610 ( 0.000 0.000 0.000) 0.000 20.610 ( 0.000 0.000 0.000) 0.000 20.807 ( 0.000 0.000 0.000) 0.000 20.807 ( 0.000 0.000 0.000) 0.000 22.663 ( 0.000 0.000 0.000) 0.000 23.874 ( 0.000 0.000 0.000) 0.000 25.402 ( 0.000 0.000 0.000) 0.000 25.485 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 24.873 14.360 6.125) 29.367 0.590 ( 24.692 14.256 9.520) 30.060 1.113 ( 46.457 26.822 -8.829) 54.365 1.939 ( -3.679 -2.124 -17.848) 18.346 2.086 ( -3.432 -1.982 17.552) 17.993 2.334 ( 7.528 4.346 16.793) 18.909 2.341 ( 4.170 2.408 -18.303) 18.925 2.724 ( 12.358 7.135 0.886) 14.297 2.861 ( -5.140 -2.967 0.031) 5.935 3.049 ( 3.410 1.969 -7.822) 8.757 3.057 ( -1.817 -1.049 5.594) 5.975 3.131 ( 7.590 4.382 1.319) 8.863 3.144 ( 0.195 0.112 -1.697) 1.712 3.296 ( 1.126 0.650 0.048) 1.301 3.297 ( 2.999 1.731 1.651) 3.836 3.501 ( 1.083 0.625 -0.022) 1.251 3.608 ( 1.114 0.643 0.063) 1.288 3.677 ( -0.640 -0.369 -0.253) 0.781 3.947 ( -2.359 -1.362 1.006) 2.904 4.027 ( -0.051 -0.029 -0.317) 0.323 4.103 ( -1.197 -0.691 -4.715) 4.913 4.144 ( -1.822 -1.052 -1.142) 2.394 4.169 ( 2.723 1.572 2.583) 4.069 4.227 ( 8.205 4.737 2.177) 9.722 4.431 ( 5.990 3.458 -1.757) 7.137 4.466 ( 8.735 5.043 1.447) 10.189 4.555 ( 7.188 4.150 2.225) 8.593 4.898 ( 6.657 3.844 1.201) 7.781 4.968 ( 11.116 6.418 -1.457) 12.918 5.211 ( -5.077 -2.931 0.587) 5.891 5.662 ( 1.962 1.133 0.312) 2.286 5.861 ( 8.846 5.107 -0.534) 10.229 6.331 ( -2.224 -1.284 0.341) 2.591 6.877 ( -5.341 -3.084 -1.272) 6.297 7.010 ( 13.984 8.074 -3.654) 16.556 7.042 ( 7.483 4.321 1.568) 8.782 7.042 ( 8.091 4.671 1.605) 9.479 7.316 ( 12.106 6.989 -0.268) 13.981 7.998 ( -4.959 -2.863 -2.496) 6.246 8.068 ( -0.684 -0.395 1.654) 1.833 8.257 ( 3.734 2.156 0.397) 4.330 8.274 ( 5.863 3.385 2.047) 7.072 8.407 ( 13.830 7.984 -0.013) 15.969 8.986 ( -2.730 -1.576 -10.401) 10.868 9.072 ( -1.335 -0.771 5.096) 5.324 9.258 ( 8.805 5.083 4.461) 11.103 10.411 ( -4.235 -2.445 -4.666) 6.759 10.419 ( -2.653 -1.531 4.554) 5.489 11.184 ( -6.685 -3.860 -1.970) 7.967 11.225 ( -3.492 -2.016 1.972) 4.488 11.620 ( -0.645 -0.372 -1.299) 1.497 12.097 ( -6.246 -3.606 0.223) 7.216 12.132 ( -1.300 -0.750 -0.257) 1.523 12.164 ( -3.751 -2.166 -0.127) 4.333 12.362 ( 2.311 1.334 0.407) 2.700 12.562 ( 8.262 4.770 0.471) 9.552 12.676 ( 0.185 0.107 -0.223) 0.309 15.275 ( -2.303 -1.330 0.148) 2.663 15.713 ( -13.007 -7.509 1.788) 15.125 16.331 ( -26.111 -15.075 -4.517) 30.487 16.870 ( -0.607 -0.351 -1.114) 1.316 16.929 ( 0.943 0.545 0.950) 1.445 17.629 ( 21.647 12.498 -6.383) 25.797 18.645 ( -3.935 -2.272 5.581) 7.196 20.609 ( -0.042 -0.024 0.158) 0.165 20.739 ( 11.021 6.363 -0.343) 12.731 20.807 ( -0.025 -0.014 -0.137) 0.140 22.702 ( 3.215 1.856 0.588) 3.759 22.947 ( 5.242 3.026 2.997) 6.754 23.838 ( -3.019 -1.743 -0.335) 3.502 25.372 ( -2.502 -1.444 0.057) 2.889 25.454 ( -2.645 -1.527 -0.185) 3.059 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 21.697 12.527 8.354) 26.410 1.138 ( 25.314 14.615 5.507) 29.744 1.895 ( 0.245 0.141 -15.716) 15.718 1.981 ( 14.232 8.217 -0.813) 16.454 2.155 ( 18.374 10.608 2.937) 21.419 2.452 ( 10.765 6.215 -14.686) 19.241 2.505 ( 6.558 3.786 14.898) 16.712 2.726 ( -5.681 -3.280 1.975) 6.851 2.844 ( -4.624 -2.670 -2.813) 6.035 2.982 ( -3.634 -2.098 3.587) 5.520 3.146 ( -2.081 -1.201 -0.988) 2.598 3.203 ( 15.889 9.173 -0.832) 18.365 3.258 ( 0.497 0.287 -5.799) 5.827 3.267 ( -2.811 -1.623 2.029) 3.828 3.508 ( -1.431 -0.826 -0.535) 1.737 3.599 ( 17.834 10.297 3.252) 20.848 3.643 ( 2.138 1.234 2.574) 3.566 3.661 ( -2.885 -1.666 -2.490) 4.159 3.824 ( -4.968 -2.868 3.337) 6.636 3.973 ( -3.368 -1.944 1.164) 4.059 4.126 ( 1.138 0.657 -2.902) 3.186 4.182 ( 6.693 3.864 -4.674) 9.032 4.237 ( 3.281 1.894 3.153) 4.929 4.451 ( 10.068 5.813 1.827) 11.769 4.578 ( 0.076 0.044 0.548) 0.555 4.693 ( 16.483 9.516 -3.222) 19.304 4.812 ( 11.457 6.615 2.379) 13.442 5.071 ( -2.318 -1.338 1.055) 2.877 5.106 ( 11.234 6.486 2.776) 13.266 5.288 ( 12.377 7.146 -2.730) 14.551 5.727 ( 3.504 2.023 1.894) 4.468 6.122 ( 12.403 7.161 -0.127) 14.323 6.363 ( 6.136 3.542 2.369) 7.470 6.793 ( -2.089 -1.206 -4.708) 5.290 7.233 ( 9.054 5.227 -8.830) 13.684 7.266 ( 11.151 6.438 3.815) 13.429 7.441 ( 20.841 12.033 5.089) 24.598 7.566 ( 8.506 4.911 -0.671) 9.844 7.895 ( -3.841 -2.218 -5.174) 6.815 8.093 ( 2.834 1.636 1.494) 3.597 8.399 ( 4.112 2.374 6.607) 8.136 8.406 ( 9.230 5.329 2.929) 11.053 8.806 ( 18.242 10.532 -1.025) 21.089 8.990 ( 3.944 2.277 -11.806) 12.654 9.064 ( 3.835 2.214 8.449) 9.539 9.493 ( 11.502 6.641 0.584) 13.294 10.272 ( -7.547 -4.357 -8.187) 11.957 10.337 ( -4.323 -2.496 7.007) 8.603 10.977 ( -10.806 -6.239 -3.410) 12.935 11.100 ( -7.515 -4.339 3.200) 9.249 11.602 ( -0.822 -0.475 -0.362) 1.016 11.952 ( -6.172 -3.564 -1.452) 7.274 12.029 ( -8.130 -4.694 -0.194) 9.390 12.071 ( -3.929 -2.269 1.243) 4.705 12.438 ( 3.763 2.173 0.746) 4.409 12.669 ( 1.178 0.680 -0.093) 1.364 12.789 ( 9.290 5.363 -0.026) 10.727 15.198 ( -4.175 -2.410 0.248) 4.827 15.309 ( -20.480 -11.824 0.817) 23.663 15.801 ( -19.962 -11.525 -3.452) 23.308 16.851 ( -1.001 -0.578 -1.553) 1.936 16.960 ( 1.668 0.963 1.272) 2.308 17.996 ( 10.308 5.951 -9.776) 15.402 18.541 ( -4.733 -2.733 8.362) 9.990 20.609 ( 0.022 0.013 0.284) 0.285 20.805 ( -0.166 -0.096 -0.243) 0.310 21.096 ( 19.057 11.002 -1.742) 22.074 22.797 ( 4.510 2.604 1.488) 5.416 23.077 ( 5.217 3.012 3.596) 7.016 23.746 ( -4.588 -2.649 -0.290) 5.305 25.294 ( -4.087 -2.359 0.245) 4.725 25.362 ( -5.275 -3.046 -0.522) 6.113 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 16.818 9.710 5.529) 20.191 1.682 ( 20.983 12.115 5.119) 24.764 1.960 ( 5.579 3.221 -8.559) 10.712 2.119 ( 4.879 2.817 2.721) 6.256 2.383 ( 5.445 3.144 -5.490) 8.347 2.563 ( -3.382 -1.952 0.629) 3.955 2.576 ( -3.629 -2.095 1.217) 4.364 2.775 ( 1.378 0.796 6.602) 6.791 2.896 ( -3.751 -2.166 0.727) 4.392 2.991 ( 7.007 4.046 -3.140) 8.679 3.126 ( 9.088 5.247 -1.348) 10.580 3.181 ( -3.751 -2.165 -2.959) 5.245 3.196 ( 0.960 0.554 -1.305) 1.712 3.411 ( -5.128 -2.961 0.388) 5.934 3.493 ( -8.368 -4.831 -1.881) 9.844 3.599 ( 4.136 2.388 -3.003) 5.642 3.667 ( -2.786 -1.609 -3.521) 4.770 3.719 ( 5.584 3.224 -0.687) 6.484 3.830 ( 4.649 2.684 3.323) 6.313 4.117 ( 10.027 5.789 0.590) 11.594 4.179 ( 4.839 2.794 1.605) 5.813 4.231 ( -0.152 -0.088 4.322) 4.325 4.406 ( 6.953 4.014 3.087) 8.601 4.547 ( 0.142 0.082 -1.645) 1.653 4.675 ( 8.585 4.957 -1.456) 10.020 4.916 ( -1.442 -0.833 1.217) 2.063 5.122 ( 19.045 10.996 -3.013) 22.197 5.130 ( 6.038 3.486 -0.364) 6.981 5.423 ( 16.483 9.516 3.640) 19.377 5.536 ( 7.956 4.593 -2.587) 9.544 5.803 ( 2.574 1.486 4.799) 5.645 6.373 ( 8.240 4.758 0.667) 9.539 6.617 ( 14.742 8.511 5.975) 18.040 6.777 ( 0.719 0.415 -6.623) 6.675 7.408 ( 5.217 3.012 -12.178) 13.586 7.514 ( 9.349 5.397 4.583) 11.728 7.687 ( 1.976 1.141 -3.593) 4.256 7.837 ( -0.621 -0.358 -6.407) 6.447 7.929 ( 20.437 11.800 6.881) 24.582 8.193 ( 5.644 3.258 -0.028) 6.517 8.454 ( 1.313 0.758 8.540) 8.673 8.597 ( 4.156 2.400 10.675) 11.704 9.060 ( 12.041 6.952 1.850) 14.027 9.176 ( 11.348 6.552 -11.580) 17.487 9.507 ( 28.332 16.357 1.711) 32.759 9.774 ( 12.318 7.112 0.139) 14.224 10.077 ( -8.876 -5.125 -10.116) 14.401 10.228 ( -4.967 -2.867 4.929) 7.562 10.703 ( -12.536 -7.238 -2.010) 14.614 10.875 ( -11.955 -6.902 3.674) 14.285 11.587 ( -0.392 -0.226 1.547) 1.612 11.781 ( -13.516 -7.803 -0.201) 15.608 11.812 ( -5.950 -3.435 -3.458) 7.691 11.960 ( -5.529 -3.192 2.577) 6.884 12.516 ( 2.794 1.613 1.228) 3.452 12.709 ( 2.306 1.331 -1.043) 2.859 12.997 ( 8.270 4.774 0.157) 9.550 14.839 ( -19.214 -11.093 -0.317) 22.189 15.092 ( -4.707 -2.717 0.252) 5.441 15.400 ( -14.794 -8.542 -1.171) 17.123 16.827 ( -1.035 -0.598 -1.456) 1.884 17.001 ( 1.791 1.034 1.165) 2.374 18.141 ( 3.380 1.952 -8.267) 9.142 18.436 ( -4.319 -2.494 6.949) 8.554 20.611 ( 0.146 0.084 0.323) 0.364 20.799 ( -0.333 -0.192 -0.276) 0.473 21.567 ( 20.680 11.939 -2.577) 24.017 22.885 ( 2.613 1.508 0.353) 3.037 23.166 ( 2.513 1.451 3.305) 4.398 23.645 ( -3.878 -2.239 0.644) 4.524 25.195 ( -4.238 -2.447 0.190) 4.897 25.220 ( -6.722 -3.881 -0.553) 7.782 ======================= Grid point 4 (5/50) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 9.220 5.323 -0.032) 10.646 2.072 ( 12.241 7.068 3.760) 14.627 2.138 ( 7.646 4.414 1.814) 9.013 2.200 ( 1.733 1.001 0.971) 2.224 2.442 ( -4.138 -2.389 -4.301) 6.429 2.532 ( 6.306 3.641 2.401) 7.667 2.581 ( 5.271 3.043 -1.822) 6.353 2.804 ( -3.842 -2.218 -0.783) 4.505 2.820 ( -0.063 -0.036 2.657) 2.658 2.974 ( -0.234 -0.135 0.310) 0.411 3.029 ( -7.570 -4.371 0.996) 8.798 3.119 ( -0.155 -0.089 3.793) 3.797 3.158 ( -7.290 -4.209 0.365) 8.426 3.271 ( -10.051 -5.803 -0.907) 11.641 3.423 ( -9.585 -5.534 -4.426) 11.921 3.526 ( -6.568 -3.792 -7.646) 10.769 3.737 ( 18.226 10.523 -8.268) 22.611 3.982 ( 6.845 3.952 6.054) 9.956 4.009 ( 10.183 5.879 -0.192) 11.760 4.195 ( 1.190 0.687 -5.491) 5.661 4.230 ( -0.472 -0.272 3.384) 3.427 4.387 ( 8.339 4.815 6.336) 11.527 4.483 ( 0.922 0.533 -0.426) 1.147 4.571 ( -0.043 -0.025 5.107) 5.108 4.806 ( 2.553 1.474 -1.262) 3.207 4.882 ( -0.680 -0.393 0.508) 0.935 5.269 ( 6.187 3.572 -2.452) 7.553 5.508 ( 13.624 7.866 -4.887) 16.473 5.628 ( 0.204 0.118 -1.089) 1.114 5.804 ( 5.461 3.153 6.337) 8.940 5.851 ( 10.514 6.070 3.364) 12.598 6.467 ( -0.152 -0.088 -0.461) 0.493 6.821 ( 2.531 1.461 -3.363) 4.455 6.966 ( 13.876 8.011 8.919) 18.338 7.451 ( -1.452 -0.838 -12.627) 12.738 7.663 ( 3.480 2.009 3.399) 5.264 7.699 ( 1.065 0.615 -8.816) 8.901 7.842 ( -0.855 -0.494 -1.041) 1.435 8.281 ( 6.834 3.945 2.419) 8.253 8.367 ( 8.777 5.067 0.626) 10.154 8.505 ( 5.258 3.036 7.098) 9.341 8.621 ( 0.329 0.190 10.642) 10.649 9.446 ( 10.251 5.918 -7.451) 13.986 9.454 ( 19.055 11.002 3.435) 22.270 9.877 ( -6.095 -3.519 -12.515) 14.358 10.011 ( 5.641 3.257 6.878) 9.473 10.134 ( -0.974 -0.562 -9.783) 9.847 10.198 ( 28.428 16.413 1.533) 32.862 10.428 ( -10.404 -6.007 4.776) 12.928 10.559 ( -14.509 -8.377 3.497) 17.115 11.399 ( -19.630 -11.334 -0.198) 22.668 11.584 ( 0.166 0.096 2.548) 2.555 11.687 ( -4.602 -2.657 -3.845) 6.559 11.835 ( -4.625 -2.670 2.198) 5.776 12.565 ( 1.460 0.843 0.863) 1.894 12.762 ( 1.874 1.082 -0.809) 2.310 13.152 ( 4.831 2.789 0.064) 5.578 14.469 ( -11.888 -6.863 -0.369) 13.732 14.998 ( -3.173 -1.832 0.154) 3.667 15.132 ( -8.119 -4.688 -0.255) 9.379 16.807 ( -0.654 -0.377 -0.885) 1.163 17.036 ( 1.137 0.656 0.707) 1.491 18.192 ( 1.541 0.890 -4.764) 5.086 18.345 ( -3.345 -1.931 3.996) 5.558 20.615 ( 0.168 0.097 0.222) 0.295 20.792 ( -0.304 -0.176 -0.192) 0.400 21.992 ( 14.764 8.524 -1.797) 17.142 22.908 ( -0.293 -0.169 -0.722) 0.797 23.204 ( 0.933 0.539 1.542) 1.881 23.572 ( -2.474 -1.428 1.644) 3.296 25.074 ( -5.109 -2.950 -0.898) 5.967 25.114 ( -2.674 -1.544 0.602) 3.146 ======================= Grid point 5 (6/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -0.000 -0.000 0.000) 0.000 2.185 ( -0.000 -0.000 -0.000) 0.000 2.190 ( 0.000 0.000 -0.000) 0.000 2.254 ( 0.000 0.000 -0.000) 0.000 2.441 ( -0.000 -0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 -0.000) 0.000 2.759 ( 0.000 0.000 -0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 -0.000) 0.000 3.042 ( -0.000 -0.000 -0.000) 0.000 3.059 ( -0.000 -0.000 -0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.170 ( -0.000 -0.000 -0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 4.002 ( -0.000 -0.000 0.000) 0.000 4.060 ( 0.000 0.000 -0.000) 0.000 4.128 ( 0.000 0.000 -0.000) 0.000 4.194 ( 0.000 0.000 -0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 -0.000) 0.000 4.822 ( 0.000 0.000 -0.000) 0.000 4.868 ( 0.000 0.000 -0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 -0.000) 0.000 5.747 ( -0.000 -0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.426 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 -0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.396 ( 0.000 0.000 -0.000) 0.000 7.698 ( 0.000 0.000 0.000) 0.000 7.758 ( 0.000 0.000 -0.000) 0.000 7.780 ( -0.000 -0.000 0.000) 0.000 8.352 ( 0.000 0.000 -0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.633 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 -0.000) 0.000 9.717 ( -0.000 -0.000 -0.000) 0.000 9.846 ( 0.000 0.000 0.000) 0.000 10.030 ( 0.000 0.000 0.000) 0.000 10.173 ( 0.000 0.000 -0.000) 0.000 10.283 ( -0.000 -0.000 0.000) 0.000 10.292 ( 0.000 0.000 -0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 10.945 ( -0.000 -0.000 0.000) 0.000 11.596 ( 0.000 0.000 -0.000) 0.000 11.619 ( 0.000 0.000 0.000) 0.000 11.777 ( 0.000 0.000 0.000) 0.000 12.582 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 -0.000) 0.000 13.209 ( 0.000 0.000 0.000) 0.000 14.327 ( 0.000 0.000 0.000) 0.000 14.959 ( 0.000 0.000 -0.000) 0.000 15.037 ( 0.000 0.000 -0.000) 0.000 16.799 ( 0.000 0.000 -0.000) 0.000 17.050 ( 0.000 0.000 -0.000) 0.000 18.215 ( 0.000 0.000 -0.000) 0.000 18.299 ( 0.000 0.000 0.000) 0.000 20.617 ( 0.000 0.000 -0.000) 0.000 20.788 ( 0.000 0.000 -0.000) 0.000 22.176 ( 0.000 0.000 0.000) 0.000 22.899 ( 0.000 0.000 -0.000) 0.000 23.213 ( 0.000 0.000 0.000) 0.000 23.540 ( 0.000 0.000 0.000) 0.000 25.010 ( 0.000 0.000 0.000) 0.000 25.082 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/50) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 12.918 22.375 0.000) 25.836 1.127 ( 15.519 26.880 0.000) 31.038 1.805 ( 19.257 33.355 0.000) 38.515 1.910 ( 0.086 0.149 0.000) 0.172 2.079 ( 3.176 5.501 0.000) 6.352 2.414 ( 2.675 4.633 0.000) 5.350 2.451 ( 4.172 7.226 0.000) 8.343 2.763 ( -3.532 -6.118 0.000) 7.064 2.841 ( -2.007 -3.476 0.000) 4.014 3.064 ( -1.341 -2.323 0.000) 2.682 3.080 ( 7.039 12.193 0.000) 14.079 3.138 ( -0.011 -0.019 0.000) 0.022 3.244 ( -1.380 -2.390 0.000) 2.760 3.314 ( 1.250 2.165 0.000) 2.500 3.475 ( 11.248 19.482 0.000) 22.496 3.516 ( 0.217 0.375 0.000) 0.433 3.624 ( 0.631 1.093 0.000) 1.263 3.670 ( -0.314 -0.545 0.000) 0.629 3.875 ( -3.453 -5.981 0.000) 6.906 3.985 ( -3.061 -5.302 0.000) 6.122 4.131 ( 1.611 2.791 0.000) 3.223 4.151 ( 2.788 4.829 0.000) 5.575 4.220 ( 1.918 3.322 0.000) 3.836 4.359 ( 4.445 7.698 0.000) 8.889 4.584 ( 3.230 5.595 0.000) 6.461 4.611 ( 8.486 14.698 0.000) 16.971 4.733 ( 6.549 11.343 0.000) 13.097 5.060 ( 6.939 12.019 0.000) 13.879 5.074 ( -2.644 -4.579 0.000) 5.288 5.196 ( 6.088 10.545 0.000) 12.176 5.727 ( 2.455 4.253 0.000) 4.910 6.083 ( 9.445 16.359 0.000) 18.890 6.327 ( 1.543 2.673 0.000) 3.086 6.803 ( -1.919 -3.324 0.000) 3.838 7.183 ( 5.235 9.067 0.000) 10.470 7.207 ( 6.498 11.255 0.000) 12.997 7.287 ( 10.263 17.776 0.000) 20.526 7.509 ( 5.805 10.054 0.000) 11.610 7.971 ( -0.781 -1.352 0.000) 1.561 7.999 ( -1.421 -2.462 0.000) 2.843 8.384 ( 3.649 6.320 0.000) 7.297 8.395 ( 5.396 9.346 0.000) 10.791 8.638 ( 9.660 16.732 0.000) 19.321 9.008 ( 1.798 3.114 0.000) 3.596 9.023 ( -1.081 -1.873 0.000) 2.163 9.425 ( 6.271 10.863 0.000) 12.543 10.322 ( -3.642 -6.309 0.000) 7.285 10.357 ( -2.560 -4.434 0.000) 5.120 11.046 ( -5.503 -9.532 0.000) 11.006 11.138 ( -3.980 -6.894 0.000) 7.961 11.609 ( -0.407 -0.706 0.000) 0.815 11.997 ( -3.388 -5.868 0.000) 6.776 12.044 ( -4.097 -7.096 0.000) 8.194 12.114 ( -2.159 -3.739 0.000) 4.317 12.425 ( 2.676 4.635 0.000) 5.352 12.660 ( 0.831 1.439 0.000) 1.662 12.727 ( 4.522 7.833 0.000) 9.045 15.216 ( -2.598 -4.500 0.000) 5.196 15.469 ( -9.751 -16.888 0.000) 19.501 15.888 ( -13.648 -23.640 0.000) 27.297 16.870 ( -0.415 -0.719 0.000) 0.830 16.931 ( 0.176 0.304 0.000) 0.351 17.941 ( 8.263 14.312 0.000) 16.527 18.574 ( -2.486 -4.307 0.000) 4.973 20.623 ( 0.086 0.148 0.000) 0.171 20.750 ( -0.409 -0.708 0.000) 0.818 21.021 ( 10.160 17.598 0.000) 20.321 22.771 ( 2.719 4.710 0.000) 5.438 23.043 ( 3.292 5.701 0.000) 6.583 23.772 ( -2.645 -4.582 0.000) 5.291 25.318 ( -2.174 -3.765 0.000) 4.347 25.392 ( -2.698 -4.672 0.000) 5.395 ======================= Grid point 13 (8/50) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 18.166 14.371 3.041) 23.362 1.620 ( 12.142 22.930 3.760) 26.217 1.966 ( 2.382 7.816 -6.749) 10.598 2.069 ( 4.540 4.206 2.664) 6.738 2.368 ( 2.656 8.286 -7.714) 11.628 2.530 ( 6.787 0.215 7.752) 10.305 2.627 ( -4.453 -3.205 1.676) 5.737 2.706 ( -0.734 -4.132 -1.974) 4.638 2.813 ( 18.183 15.642 -2.253) 24.091 2.997 ( -4.604 2.713 0.282) 5.351 3.089 ( -1.649 -3.792 0.236) 4.142 3.155 ( -2.134 -5.643 -0.679) 6.071 3.232 ( -0.216 -1.946 -0.216) 1.970 3.472 ( -4.544 -3.268 0.017) 5.597 3.522 ( 9.973 15.142 -1.672) 18.208 3.598 ( -6.590 -3.374 -2.043) 7.681 3.638 ( 0.118 -2.323 0.107) 2.328 3.716 ( 3.120 -2.905 1.724) 4.598 3.824 ( -4.882 2.792 -0.699) 5.667 3.986 ( 12.963 6.711 4.185) 15.186 4.192 ( -0.741 3.960 -3.395) 5.268 4.238 ( 2.715 3.733 3.315) 5.683 4.358 ( 5.573 8.986 -0.529) 10.587 4.514 ( 4.770 3.832 0.297) 6.125 4.663 ( 2.205 6.239 -1.334) 6.751 4.897 ( 2.316 5.049 0.737) 5.603 4.991 ( 13.694 11.579 0.055) 17.934 5.028 ( 5.280 3.218 -0.372) 6.195 5.344 ( 8.101 15.480 2.617) 17.666 5.434 ( 9.462 6.969 -2.381) 11.990 5.813 ( 1.588 5.504 2.401) 6.212 6.420 ( 4.529 19.786 -0.046) 20.298 6.498 ( 10.804 11.680 2.638) 16.127 6.767 ( 0.898 -0.518 -4.169) 4.296 7.338 ( 3.119 4.858 -3.695) 6.854 7.462 ( 9.238 10.930 0.462) 14.319 7.651 ( 3.951 3.542 -1.206) 5.442 7.685 ( 16.038 10.042 3.704) 19.282 7.904 ( -4.675 3.512 -6.416) 8.681 8.052 ( 8.058 -2.874 4.418) 9.629 8.487 ( -1.149 8.613 5.095) 10.073 8.639 ( 10.253 12.352 0.927) 16.079 8.951 ( 4.201 6.403 5.206) 9.260 9.070 ( 6.639 6.904 -7.828) 12.370 9.205 ( 19.786 10.194 0.405) 22.262 9.678 ( 9.474 11.480 0.015) 14.885 10.165 ( -6.992 -6.157 -6.618) 11.428 10.256 ( -3.245 -5.390 4.959) 8.011 10.815 ( -9.648 -9.800 -2.055) 13.904 10.949 ( -7.534 -10.817 2.355) 13.391 11.598 ( -0.462 0.318 0.515) 0.762 11.850 ( -7.480 -10.859 -0.308) 13.189 11.878 ( -4.856 -5.060 -1.557) 7.183 12.013 ( -4.482 -4.252 1.393) 6.333 12.518 ( 1.758 5.145 0.794) 5.494 12.682 ( 1.509 0.600 -0.690) 1.765 12.912 ( 7.219 6.569 0.128) 9.761 15.047 ( -16.161 -11.733 -0.334) 19.974 15.122 ( -4.918 -8.184 0.610) 9.568 15.477 ( -10.074 -17.598 -1.168) 20.311 16.843 ( -1.535 -0.609 -1.284) 2.092 16.946 ( 2.351 -2.018 1.134) 3.299 18.141 ( 2.974 7.044 -5.089) 9.185 18.488 ( -3.517 -2.152 4.328) 5.978 20.614 ( -0.787 0.018 0.446) 0.905 20.745 ( 2.200 -3.974 -0.571) 4.578 21.440 ( 14.449 21.247 -1.143) 25.720 22.871 ( 2.803 4.555 0.443) 5.367 23.142 ( 2.560 2.958 1.947) 4.370 23.669 ( -3.304 -4.829 0.104) 5.852 25.231 ( -3.294 -3.688 0.168) 4.948 25.271 ( -4.931 -6.034 -0.354) 7.801 ======================= Grid point 14 (9/50) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 14.017 8.108 2.364) 16.365 1.958 ( 8.125 9.755 0.852) 12.724 2.159 ( 3.959 16.320 -0.024) 16.794 2.187 ( 2.901 4.292 0.829) 5.246 2.474 ( 2.376 4.114 -2.540) 5.388 2.511 ( -2.251 -0.043 -3.412) 4.088 2.559 ( 0.374 0.868 0.605) 1.123 2.738 ( 6.795 -2.672 8.319) 11.069 2.888 ( -5.231 -0.348 -2.286) 5.720 2.974 ( -1.172 -2.740 0.902) 3.114 3.035 ( -1.228 -7.284 2.156) 7.695 3.150 ( -5.241 -3.479 -0.736) 6.333 3.231 ( -5.019 -4.506 -0.686) 6.780 3.397 ( -9.275 -3.651 -1.089) 10.027 3.470 ( -2.177 -6.241 -2.874) 7.207 3.542 ( 11.342 9.920 -5.125) 15.916 3.623 ( -6.920 -3.059 -5.732) 9.492 3.806 ( 10.367 -2.396 1.872) 10.804 3.952 ( 7.589 12.859 -0.934) 14.961 4.179 ( -1.042 -1.668 1.252) 2.331 4.247 ( 6.504 1.803 2.855) 7.328 4.331 ( 1.441 9.976 2.811) 10.464 4.502 ( 3.516 6.991 3.983) 8.781 4.615 ( 0.610 8.388 -0.005) 8.411 4.819 ( 3.025 8.165 -1.506) 8.837 4.903 ( -1.350 1.695 -0.175) 2.174 5.162 ( 8.911 1.188 -1.942) 9.197 5.415 ( 12.065 16.538 -2.727) 20.652 5.552 ( 5.797 -0.093 0.189) 5.801 5.712 ( 11.159 14.645 1.811) 18.501 5.875 ( -0.996 5.169 5.748) 7.794 6.573 ( -3.958 8.829 -2.701) 10.045 6.807 ( 10.521 7.669 5.103) 13.983 6.896 ( 4.263 18.057 -2.651) 18.742 7.372 ( 0.966 -3.754 -7.280) 8.248 7.664 ( 1.128 0.754 2.314) 2.682 7.722 ( 4.600 8.444 -5.029) 10.851 7.859 ( -1.101 -1.256 -1.893) 2.524 8.014 ( 11.071 -1.637 0.871) 11.226 8.249 ( 13.456 7.172 4.621) 15.933 8.530 ( -3.033 8.721 3.684) 9.941 8.870 ( -4.583 19.355 10.218) 22.361 9.160 ( 18.522 2.892 0.191) 18.748 9.312 ( 12.732 7.446 -6.650) 16.179 9.773 ( 28.431 9.094 -3.519) 30.057 9.919 ( 0.978 0.816 -3.182) 3.428 10.016 ( 1.605 4.897 -1.608) 5.398 10.147 ( -2.745 -4.756 0.232) 5.496 10.538 ( -10.579 -8.888 0.297) 13.821 10.666 ( -10.615 -13.730 3.389) 17.682 11.528 ( -11.888 -14.623 -0.514) 18.853 11.610 ( -1.494 0.147 2.386) 2.819 11.753 ( -5.255 -2.480 -3.740) 6.910 11.886 ( -4.943 -4.158 2.366) 6.879 12.579 ( 0.038 4.122 1.316) 4.328 12.725 ( 2.640 0.163 -1.276) 2.937 13.084 ( 6.239 3.775 0.125) 7.293 14.644 ( -15.990 -7.885 -0.445) 17.834 14.999 ( -1.344 -7.549 0.445) 7.680 15.179 ( -7.593 -11.333 -0.533) 13.652 16.814 ( -0.925 -0.770 -1.288) 1.763 16.967 ( 3.444 -4.104 1.131) 5.476 18.216 ( -0.174 4.674 -4.584) 6.549 18.412 ( -4.229 0.306 3.809) 5.699 20.604 ( 0.126 -0.906 0.477) 1.032 20.743 ( 2.393 -4.440 -0.593) 5.079 21.894 ( 13.119 19.274 -1.485) 23.363 22.935 ( -0.358 3.286 -0.622) 3.364 23.189 ( 1.129 0.554 1.926) 2.300 23.577 ( -1.846 -4.475 1.091) 4.962 25.117 ( -5.085 -6.010 -0.860) 7.920 25.143 ( -2.933 -2.705 0.601) 4.035 ======================= Grid point 15 (10/50) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 5.869 2.602 -0.104) 6.421 2.125 ( 4.562 0.916 1.039) 4.768 2.215 ( -2.200 0.919 0.330) 2.408 2.344 ( 0.086 11.414 3.112) 11.831 2.439 ( -0.486 2.523 -2.923) 3.891 2.624 ( 3.340 4.823 0.871) 5.931 2.673 ( 2.238 3.652 0.080) 4.284 2.776 ( -0.282 0.324 0.471) 0.638 2.812 ( -0.927 1.879 -1.681) 2.686 2.946 ( -4.513 -3.508 1.543) 5.921 2.987 ( 1.829 0.600 -0.049) 1.925 3.047 ( 3.641 -4.123 4.757) 7.273 3.102 ( -1.701 -3.577 -0.751) 4.032 3.169 ( -10.199 -4.454 -0.984) 11.173 3.278 ( -5.760 -7.491 -3.513) 10.081 3.473 ( -4.388 -1.636 -3.717) 5.979 3.883 ( 13.083 0.546 -4.871) 13.971 3.984 ( 8.958 1.140 1.739) 9.196 4.062 ( 0.108 -6.977 2.277) 7.340 4.147 ( -0.609 -1.032 1.016) 1.571 4.283 ( -1.033 3.553 -1.867) 4.145 4.481 ( 0.959 8.791 1.091) 8.910 4.623 ( -0.786 6.314 3.426) 7.226 4.660 ( -4.564 12.571 0.335) 13.378 4.884 ( -1.240 3.651 0.297) 3.867 4.915 ( -3.207 6.210 -0.138) 6.991 5.318 ( 6.444 1.437 -1.874) 6.863 5.552 ( 0.712 -5.290 -0.616) 5.373 5.722 ( 5.438 10.789 -5.883) 13.438 5.856 ( -5.942 4.340 8.006) 10.874 6.047 ( 8.694 9.746 2.012) 13.215 6.523 ( -6.568 2.927 -2.582) 7.640 6.977 ( -0.977 10.032 0.803) 10.111 7.155 ( 4.171 13.997 5.860) 15.737 7.324 ( -0.404 -6.842 -8.423) 10.859 7.672 ( 3.041 -2.249 -3.054) 4.862 7.785 ( -2.189 -6.048 2.046) 6.749 7.842 ( -3.215 11.166 -0.885) 11.653 8.120 ( 7.952 -8.108 0.467) 11.366 8.515 ( 1.369 9.165 -0.258) 9.270 8.581 ( 3.499 3.600 3.216) 5.962 8.940 ( -10.350 21.765 5.416) 24.701 9.471 ( 11.941 -2.037 -2.201) 12.312 9.633 ( 14.108 5.755 6.562) 16.590 9.798 ( -3.090 -4.246 -13.001) 14.021 10.012 ( 0.888 -2.860 -0.089) 2.996 10.131 ( 1.732 -2.807 -5.524) 6.434 10.305 ( -5.447 -8.505 3.586) 10.717 10.331 ( -0.917 -4.109 4.570) 6.213 10.507 ( 21.973 9.097 0.955) 23.801 11.083 ( -17.965 -19.574 -0.434) 26.572 11.617 ( -0.326 2.490 2.942) 3.868 11.658 ( -3.960 0.018 -3.713) 5.429 11.785 ( -2.178 -2.216 1.236) 3.344 12.606 ( -0.909 2.865 0.563) 3.058 12.762 ( 1.777 -0.990 -0.547) 2.106 13.187 ( 2.731 0.765 0.032) 2.836 14.388 ( -7.373 -1.107 -0.209) 7.458 14.941 ( 2.374 -4.904 0.393) 5.463 14.996 ( -2.802 -7.159 -0.347) 7.696 16.798 ( -0.175 -0.518 -0.524) 0.757 16.980 ( 3.655 -5.595 0.462) 6.699 18.247 ( -1.075 3.775 -1.933) 4.375 18.355 ( -3.745 2.887 1.621) 4.999 20.600 ( 0.766 -1.470 0.195) 1.669 20.740 ( 2.395 -4.329 -0.239) 4.953 22.217 ( 3.442 13.163 -0.635) 13.621 22.934 ( -2.106 2.300 -0.531) 3.164 23.201 ( 0.580 -0.756 0.433) 1.047 23.520 ( 0.168 -3.556 1.026) 3.705 25.003 ( -1.525 -3.931 -0.386) 4.234 25.088 ( -1.143 -1.005 0.252) 1.543 ======================= Grid point 23 (11/50) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 8.572 14.847 0.000) 17.143 1.944 ( 5.581 9.666 0.000) 11.162 2.184 ( 3.697 6.404 0.000) 7.394 2.239 ( 10.153 17.586 0.000) 20.306 2.507 ( 2.515 4.356 0.000) 5.030 2.531 ( 0.809 1.402 0.000) 1.618 2.552 ( -1.244 -2.154 0.000) 2.488 2.613 ( -0.866 -1.500 0.000) 1.732 2.924 ( -0.887 -1.537 0.000) 1.774 2.978 ( -3.399 -5.887 0.000) 6.798 3.015 ( -2.997 -5.192 0.000) 5.995 3.172 ( -2.205 -3.820 0.000) 4.410 3.240 ( 0.012 0.020 0.000) 0.023 3.444 ( 5.356 9.277 0.000) 10.712 3.445 ( -5.783 -10.016 0.000) 11.566 3.587 ( -1.696 -2.937 0.000) 3.392 3.631 ( 0.128 0.221 0.000) 0.255 3.681 ( -2.497 -4.326 0.000) 4.995 3.997 ( 9.058 15.689 0.000) 18.116 4.107 ( -0.113 -0.196 0.000) 0.226 4.216 ( 0.692 1.198 0.000) 1.383 4.403 ( 5.893 10.207 0.000) 11.786 4.496 ( 3.647 6.317 0.000) 7.294 4.662 ( 4.970 8.609 0.000) 9.941 4.838 ( 6.893 11.939 0.000) 13.786 4.960 ( 0.469 0.813 0.000) 0.939 5.039 ( 3.276 5.675 0.000) 6.553 5.384 ( 11.086 19.202 0.000) 22.172 5.514 ( 1.452 2.514 0.000) 2.903 5.689 ( 9.564 16.565 0.000) 19.128 5.921 ( 2.811 4.868 0.000) 5.622 6.671 ( -0.300 -0.519 0.000) 0.600 6.721 ( 7.586 13.139 0.000) 15.172 6.991 ( 11.865 20.552 0.000) 23.731 7.387 ( 0.234 0.405 0.000) 0.468 7.667 ( 5.561 9.632 0.000) 11.122 7.677 ( 0.060 0.105 0.000) 0.121 7.786 ( -0.253 -0.438 0.000) 0.506 8.069 ( 3.912 6.775 0.000) 7.823 8.080 ( 6.747 11.686 0.000) 13.494 8.702 ( 4.821 8.350 0.000) 9.641 8.820 ( 6.092 10.552 0.000) 12.185 9.095 ( 5.240 9.076 0.000) 10.480 9.326 ( 6.203 10.744 0.000) 12.406 9.445 ( 11.188 19.378 0.000) 22.376 9.907 ( 4.273 7.401 0.000) 8.546 10.049 ( -1.467 -2.541 0.000) 2.934 10.139 ( -3.336 -5.778 0.000) 6.671 10.596 ( -6.708 -11.619 0.000) 13.416 10.678 ( -9.160 -15.866 0.000) 18.320 11.561 ( -10.099 -17.492 0.000) 20.198 11.616 ( 0.737 1.277 0.000) 1.474 11.790 ( -2.474 -4.285 0.000) 4.948 11.911 ( -3.245 -5.621 0.000) 6.491 12.612 ( 2.126 3.683 0.000) 4.253 12.696 ( 0.502 0.870 0.000) 1.004 13.042 ( 3.589 6.216 0.000) 7.178 14.799 ( -7.933 -13.740 0.000) 15.865 14.918 ( -5.692 -9.859 0.000) 11.384 15.190 ( -6.443 -11.160 0.000) 12.886 16.823 ( -0.765 -1.326 0.000) 1.531 16.900 ( -1.241 -2.149 0.000) 2.482 18.248 ( 2.151 3.725 0.000) 4.301 18.458 ( -0.617 -1.069 0.000) 1.235 20.603 ( -0.609 -1.055 0.000) 1.218 20.681 ( -1.280 -2.217 0.000) 2.560 21.885 ( 12.824 22.213 0.000) 25.649 22.959 ( 2.090 3.619 0.000) 4.179 23.181 ( 0.540 0.936 0.000) 1.081 23.566 ( -2.987 -5.174 0.000) 5.974 25.131 ( -4.390 -7.604 0.000) 8.780 25.156 ( -2.066 -3.579 0.000) 4.132 ======================= Grid point 24 (12/50) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 6.546 5.801 0.482) 8.759 2.080 ( 3.458 3.926 0.195) 5.236 2.256 ( -0.697 1.155 0.242) 1.370 2.469 ( -2.016 12.518 -0.665) 12.697 2.529 ( -3.164 6.007 -3.649) 7.708 2.608 ( 4.931 4.501 2.281) 7.056 2.660 ( 7.807 8.974 -1.982) 12.058 2.687 ( 7.347 -2.082 6.690) 10.153 2.866 ( -2.344 -1.983 -0.767) 3.165 2.917 ( 0.114 -1.690 -0.409) 1.743 2.921 ( 0.319 -3.729 1.199) 3.930 3.053 ( -6.891 -5.407 2.137) 9.016 3.109 ( -2.359 -6.817 -3.511) 8.023 3.256 ( -5.809 -6.947 -0.944) 9.105 3.389 ( -12.234 -1.096 0.394) 12.289 3.537 ( -4.455 -4.530 -2.741) 6.920 3.643 ( 8.982 -6.607 -1.933) 11.317 3.846 ( 9.351 6.780 1.150) 11.607 3.993 ( -1.712 -7.914 -0.058) 8.097 4.198 ( -2.237 3.740 0.042) 4.358 4.279 ( 5.287 3.919 0.480) 6.599 4.590 ( 0.862 14.572 0.153) 14.598 4.679 ( 5.765 9.685 2.256) 11.495 4.820 ( 2.498 9.222 0.013) 9.555 4.948 ( -3.987 5.664 2.528) 7.374 5.034 ( 1.001 9.356 -2.042) 9.628 5.200 ( 8.765 2.767 -2.087) 9.426 5.498 ( -0.762 -4.732 0.030) 4.794 5.740 ( 7.789 15.146 -3.098) 17.311 5.987 ( -1.014 5.495 4.568) 7.217 6.007 ( 8.229 13.873 2.910) 16.390 6.626 ( -3.135 -1.206 -5.214) 6.203 6.947 ( 6.359 4.859 3.223) 8.627 7.155 ( -0.014 -3.863 -2.232) 4.462 7.513 ( 1.289 18.093 -1.543) 18.204 7.674 ( -4.132 6.472 -0.230) 7.682 7.698 ( 0.477 -7.365 3.026) 7.977 7.905 ( 6.971 8.892 0.056) 11.299 8.134 ( -4.752 9.459 -4.991) 11.703 8.388 ( 13.423 5.556 4.182) 15.118 8.763 ( -6.841 13.376 1.412) 15.090 9.127 ( 18.704 0.398 -2.526) 18.878 9.302 ( 1.097 15.791 7.156) 17.371 9.489 ( 4.768 10.772 0.011) 11.780 9.839 ( -4.308 -4.223 -6.810) 9.097 9.875 ( 15.404 0.490 -3.763) 15.864 10.070 ( 3.289 -1.877 -7.806) 8.676 10.115 ( 3.274 -2.985 10.276) 11.191 10.337 ( -9.797 -15.301 0.983) 18.195 10.447 ( -0.230 0.638 1.453) 1.603 11.150 ( -14.355 -22.031 -0.323) 26.297 11.642 ( 0.093 1.620 1.211) 2.024 11.717 ( -2.444 -0.930 -1.943) 3.258 11.805 ( -3.139 -3.638 1.040) 4.916 12.656 ( -0.724 3.083 1.175) 3.378 12.719 ( 1.761 -0.631 -1.173) 2.208 13.147 ( 3.144 2.532 0.045) 4.037 14.536 ( -10.671 -2.799 -0.308) 11.036 14.790 ( 2.877 -11.387 0.366) 11.751 15.004 ( -4.690 -6.957 -0.156) 8.392 16.798 ( -0.677 -0.747 -0.918) 1.364 16.868 ( 1.632 -4.908 0.888) 5.248 18.300 ( -0.060 3.396 -0.942) 3.524 18.440 ( -2.007 2.036 0.742) 2.953 20.581 ( -0.439 -1.149 0.378) 1.287 20.654 ( 1.501 -4.029 -0.450) 4.323 22.287 ( 8.355 19.202 -0.310) 20.944 22.987 ( -1.612 0.502 -0.391) 1.734 23.192 ( 0.299 0.635 0.269) 0.752 23.476 ( -1.031 -5.412 0.664) 5.549 24.991 ( -3.057 -6.073 -0.236) 6.803 25.097 ( -1.416 -1.839 0.157) 2.326 ======================= Grid point 25 (13/50) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 0.908 -1.573 0.000) 1.816 2.151 ( -0.768 1.329 0.000) 1.535 2.229 ( -0.453 0.785 0.000) 0.907 2.517 ( -3.108 5.383 0.000) 6.216 2.549 ( -4.413 7.644 -0.000) 8.827 2.679 ( -1.291 2.236 -0.000) 2.582 2.728 ( -0.930 1.611 0.000) 1.860 2.795 ( -0.554 0.959 -0.000) 1.108 2.869 ( 1.544 -2.675 0.000) 3.089 2.903 ( 3.518 -6.094 0.000) 7.036 2.924 ( 0.122 -0.211 -0.000) 0.243 2.959 ( 1.417 -2.454 0.000) 2.833 3.075 ( -0.531 0.920 -0.000) 1.063 3.177 ( -3.947 6.837 -0.000) 7.895 3.187 ( 0.312 -0.541 0.000) 0.625 3.460 ( -0.276 0.477 -0.000) 0.551 3.734 ( 7.223 -12.510 -0.000) 14.445 3.818 ( 7.260 -12.574 -0.000) 14.520 4.070 ( -1.450 2.511 -0.000) 2.900 4.161 ( -2.191 3.795 0.000) 4.382 4.343 ( -0.285 0.494 0.000) 0.570 4.675 ( -5.504 9.534 0.000) 11.009 4.796 ( -4.942 8.561 0.000) 9.885 4.910 ( -6.907 11.963 0.000) 13.813 4.925 ( -0.370 0.641 -0.000) 0.741 5.087 ( -4.689 8.121 0.000) 9.378 5.327 ( 0.448 -0.775 -0.000) 0.895 5.427 ( 3.519 -6.094 -0.000) 7.037 5.911 ( -4.180 7.240 -0.000) 8.360 5.976 ( -4.016 6.957 0.000) 8.033 6.191 ( -2.377 4.117 -0.000) 4.754 6.565 ( -0.940 1.629 0.000) 1.880 7.018 ( 1.736 -3.007 -0.000) 3.472 7.131 ( 4.445 -7.699 0.000) 8.890 7.613 ( 1.709 -2.960 0.000) 3.418 7.633 ( 3.219 -5.575 -0.000) 6.438 7.705 ( -16.947 29.354 -0.000) 33.895 8.078 ( -5.885 10.193 -0.000) 11.770 8.079 ( -1.653 2.863 0.000) 3.306 8.551 ( 1.749 -3.030 -0.000) 3.498 8.770 ( -7.207 12.483 0.000) 14.414 9.332 ( 2.201 -3.813 -0.000) 4.403 9.380 ( -7.161 12.403 0.000) 14.322 9.674 ( 1.550 -2.685 0.000) 3.101 9.748 ( -0.806 1.397 -0.000) 1.613 9.935 ( 2.708 -4.691 -0.000) 5.417 9.981 ( 5.090 -8.816 0.000) 10.180 10.112 ( 4.192 -7.260 0.000) 8.383 10.322 ( 1.348 -2.335 0.000) 2.696 10.642 ( 1.123 -1.945 -0.000) 2.246 10.690 ( 6.254 -10.833 0.000) 12.509 11.646 ( -0.412 0.714 0.000) 0.824 11.696 ( -1.462 2.532 -0.000) 2.924 11.754 ( 0.467 -0.808 -0.000) 0.933 12.663 ( -1.431 2.478 -0.000) 2.861 12.732 ( 0.954 -1.652 0.000) 1.907 13.189 ( 0.208 -0.360 -0.000) 0.415 14.424 ( -2.578 4.465 -0.000) 5.156 14.766 ( 5.738 -9.939 0.000) 11.477 14.917 ( 1.380 -2.389 0.000) 2.759 16.788 ( 0.201 -0.348 0.000) 0.402 16.858 ( 3.164 -5.481 0.000) 6.329 18.316 ( -1.633 2.828 0.000) 3.266 18.432 ( -2.156 3.734 -0.000) 4.312 20.571 ( 0.591 -1.024 0.000) 1.183 20.647 ( 2.507 -4.342 -0.000) 5.014 22.479 ( -6.979 12.088 0.000) 13.958 22.955 ( 0.808 -1.399 0.000) 1.615 23.201 ( -0.995 1.724 0.000) 1.991 23.436 ( 2.680 -4.642 -0.000) 5.360 24.930 ( 1.711 -2.963 -0.000) 3.422 25.075 ( 0.185 -0.321 -0.000) 0.370 ======================= Grid point 35 (14/50) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.373 0.646 0.000) 0.746 2.163 ( 2.429 4.206 0.000) 4.857 2.241 ( -1.208 -2.093 0.000) 2.417 2.641 ( 1.511 2.617 0.000) 3.022 2.649 ( 1.920 3.325 0.000) 3.840 2.667 ( 1.997 3.459 0.000) 3.994 2.692 ( 1.852 3.208 0.000) 3.705 2.777 ( 1.512 2.620 0.000) 3.025 2.828 ( -2.166 -3.752 0.000) 4.332 2.852 ( -2.097 -3.632 0.000) 4.194 2.869 ( -2.036 -3.527 0.000) 4.072 3.039 ( 2.225 3.854 0.000) 4.450 3.042 ( 1.220 2.113 0.000) 2.440 3.191 ( -0.117 -0.203 0.000) 0.234 3.394 ( -2.081 -3.605 0.000) 4.162 3.436 ( 0.351 0.607 0.000) 0.701 3.519 ( -1.592 -2.757 0.000) 3.184 3.663 ( -7.874 -13.637 0.000) 15.747 4.085 ( 3.476 6.020 0.000) 6.952 4.241 ( 1.072 1.857 0.000) 2.144 4.318 ( -0.519 -0.898 0.000) 1.037 4.815 ( 3.445 5.966 0.000) 6.889 4.867 ( 4.275 7.405 0.000) 8.550 4.914 ( 0.671 1.163 0.000) 1.343 5.081 ( 3.179 5.506 0.000) 6.357 5.174 ( 2.150 3.723 0.000) 4.299 5.271 ( 2.390 4.139 0.000) 4.779 5.378 ( -3.800 -6.583 0.000) 7.601 5.988 ( 4.931 8.541 0.000) 9.862 6.065 ( 0.775 1.343 0.000) 1.550 6.227 ( 4.033 6.985 0.000) 8.066 6.576 ( -1.574 -2.727 0.000) 3.149 6.981 ( -0.208 -0.361 0.000) 0.417 7.032 ( -2.834 -4.909 0.000) 5.668 7.578 ( -0.375 -0.650 0.000) 0.750 7.582 ( -1.180 -2.044 0.000) 2.361 8.076 ( 4.813 8.336 0.000) 9.626 8.094 ( 8.899 15.414 0.000) 17.799 8.231 ( -0.691 -1.198 0.000) 1.383 8.495 ( 2.666 4.618 0.000) 5.332 8.988 ( 3.211 5.562 0.000) 6.422 9.107 ( 0.617 1.069 0.000) 1.235 9.574 ( 6.428 11.133 0.000) 12.856 9.701 ( 3.868 6.699 0.000) 7.735 9.776 ( -1.783 -3.089 0.000) 3.567 9.828 ( -0.964 -1.670 0.000) 1.929 9.909 ( -6.188 -10.718 0.000) 12.376 10.021 ( -4.932 -8.542 0.000) 9.864 10.222 ( 5.936 10.282 0.000) 11.872 10.512 ( -0.649 -1.124 0.000) 1.297 10.710 ( -9.972 -17.272 0.000) 19.944 11.654 ( -0.064 -0.111 0.000) 0.128 11.721 ( 0.543 0.941 0.000) 1.087 11.750 ( -1.012 -1.753 0.000) 2.024 12.694 ( 0.449 0.779 0.000) 0.899 12.708 ( -0.121 -0.209 0.000) 0.242 13.184 ( 0.578 1.001 0.000) 1.156 14.519 ( 0.185 0.320 0.000) 0.369 14.617 ( -2.786 -4.825 0.000) 5.572 14.891 ( -2.097 -3.632 0.000) 4.193 16.786 ( -0.225 -0.390 0.000) 0.451 16.797 ( -1.083 -1.876 0.000) 2.166 18.347 ( 0.712 1.234 0.000) 1.425 18.473 ( 0.556 0.963 0.000) 1.111 20.566 ( -0.090 -0.157 0.000) 0.181 20.593 ( -1.081 -1.872 0.000) 2.161 22.629 ( 8.100 14.030 0.000) 16.200 22.911 ( -4.263 -7.384 0.000) 8.526 23.244 ( 2.249 3.895 0.000) 4.497 23.369 ( -2.839 -4.917 0.000) 5.678 24.898 ( -1.526 -2.644 0.000) 3.053 25.072 ( -0.356 -0.616 0.000) 0.711 ======================= Grid point 109 (15/50) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 0.000 25.847) 25.847 0.563 ( 0.000 0.000 25.847) 25.847 1.007 ( 0.000 0.000 45.136) 45.136 1.650 ( -0.000 -0.000 -21.680) 21.680 1.650 ( 0.000 -0.000 -21.680) 21.680 2.373 ( 0.000 0.000 -10.417) 10.417 2.523 ( 0.000 0.000 16.365) 16.365 2.523 ( 0.000 -0.000 16.365) 16.365 2.838 ( 0.000 -0.000 -12.094) 12.094 3.069 ( 0.000 -0.000 10.444) 10.444 3.100 ( 0.000 -0.000 -7.476) 7.476 3.100 ( 0.000 0.000 -7.476) 7.476 3.216 ( 0.000 -0.000 -19.908) 19.908 3.255 ( 0.000 0.000 0.877) 0.877 3.255 ( 0.000 0.000 0.877) 0.877 3.500 ( 0.000 0.000 1.645) 1.645 3.573 ( 0.000 -0.000 -5.739) 5.739 3.679 ( 0.000 -0.000 1.296) 1.296 4.021 ( 0.000 -0.000 -0.086) 0.086 4.021 ( 0.000 0.000 -0.086) 0.086 4.138 ( 0.000 0.000 2.106) 2.106 4.138 ( 0.000 -0.000 2.106) 2.106 4.213 ( 0.000 0.000 1.838) 1.838 4.213 ( 0.000 -0.000 1.838) 1.838 4.390 ( 0.000 -0.000 2.389) 2.389 4.390 ( 0.000 -0.000 2.389) 2.389 4.429 ( 0.000 0.000 16.698) 16.698 4.784 ( -0.000 -0.000 -2.892) 2.892 4.784 ( 0.000 0.000 -2.892) 2.892 5.356 ( 0.000 -0.000 -0.147) 0.147 5.609 ( 0.000 0.000 -2.105) 2.105 5.760 ( 0.000 0.000 0.272) 0.272 5.760 ( 0.000 0.000 0.272) 0.272 6.361 ( 0.000 -0.000 -1.632) 1.632 6.764 ( 0.000 -0.000 -8.481) 8.481 6.764 ( 0.000 0.000 -8.481) 8.481 7.096 ( 0.000 0.000 0.767) 0.767 7.190 ( 0.000 0.000 7.141) 7.141 7.190 ( 0.000 0.000 7.141) 7.141 8.060 ( -0.000 -0.000 -6.444) 6.444 8.060 ( 0.000 0.000 -6.444) 6.444 8.129 ( 0.000 -0.000 -2.087) 2.087 8.129 ( 0.000 -0.000 -2.087) 2.087 8.198 ( 0.000 -0.000 -0.118) 0.118 9.317 ( 0.000 -0.000 17.318) 17.318 9.317 ( 0.000 0.000 17.318) 17.318 10.285 ( 0.000 -0.000 -14.182) 14.182 10.285 ( 0.000 -0.000 -14.182) 14.182 11.334 ( 0.000 -0.000 4.633) 4.633 11.334 ( -0.000 0.000 4.633) 4.633 11.808 ( 0.000 0.000 0.572) 0.572 12.153 ( 0.000 -0.000 -0.030) 0.030 12.199 ( 0.000 -0.000 -0.591) 0.591 12.199 ( 0.000 -0.000 -0.591) 0.591 12.427 ( 0.000 0.000 -0.449) 0.449 12.601 ( 0.000 0.000 -1.365) 1.365 12.701 ( 0.000 -0.000 1.279) 1.279 15.299 ( 0.000 -0.000 -0.181) 0.181 15.299 ( 0.000 -0.000 -0.181) 0.181 16.881 ( 0.000 -0.000 0.203) 0.203 16.881 ( 0.000 0.000 0.203) 0.203 16.918 ( 0.000 0.000 0.024) 0.024 16.918 ( 0.000 0.000 0.024) 0.024 20.604 ( 0.000 -0.000 -0.414) 0.414 20.604 ( 0.000 0.000 -0.414) 0.414 20.660 ( 0.000 -0.000 -0.787) 0.787 20.812 ( 0.000 -0.000 0.361) 0.361 20.812 ( 0.000 0.000 0.361) 0.361 22.701 ( 0.000 0.000 2.822) 2.822 23.973 ( 0.000 0.000 -2.810) 2.810 25.425 ( 0.000 -0.000 1.812) 1.812 25.573 ( 0.000 0.000 -1.031) 1.031 ======================= Grid point 110 (16/50) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 21.179 12.227 13.728) 28.045 0.941 ( 19.777 11.418 20.311) 30.562 1.328 ( 27.076 15.632 26.354) 40.890 1.520 ( -2.315 -1.336 -20.439) 20.613 1.906 ( 6.703 3.870 -21.516) 22.865 2.368 ( -3.350 -1.934 8.704) 9.525 2.595 ( 15.454 8.922 -4.857) 18.493 2.690 ( 8.966 5.177 10.601) 14.818 2.741 ( 0.451 0.260 -6.530) 6.551 2.912 ( -6.994 -4.038 -5.608) 9.833 3.083 ( -0.232 -0.134 -6.199) 6.205 3.165 ( -4.906 -2.832 2.274) 6.104 3.223 ( 4.629 2.672 3.591) 6.439 3.255 ( 3.911 2.258 -4.829) 6.611 3.331 ( 8.989 5.190 2.901) 10.777 3.480 ( -1.176 -0.679 0.769) 1.561 3.561 ( 0.097 0.056 -3.492) 3.494 3.661 ( 0.110 0.063 1.517) 1.522 4.014 ( -0.357 -0.206 -0.632) 0.754 4.026 ( -4.920 -2.840 -0.659) 5.719 4.049 ( -4.174 -2.410 2.042) 5.234 4.142 ( -1.507 -0.870 1.018) 2.016 4.239 ( 4.180 2.413 2.987) 5.676 4.285 ( 5.581 3.222 0.988) 6.519 4.436 ( 6.839 3.948 3.590) 8.675 4.519 ( 8.636 4.986 3.373) 10.527 4.645 ( 8.171 4.718 5.127) 10.738 4.889 ( 7.877 4.548 -2.169) 9.350 4.916 ( 10.533 6.081 -3.023) 12.532 5.267 ( -4.157 -2.400 3.538) 5.963 5.632 ( 2.029 1.172 -2.596) 3.497 5.853 ( 8.294 4.788 -0.078) 9.577 6.326 ( 0.743 0.429 -0.640) 1.071 6.815 ( 0.694 0.401 -3.832) 3.915 6.817 ( 7.728 4.462 -8.536) 12.349 7.025 ( 1.968 1.136 -1.210) 2.575 7.047 ( 24.390 14.082 -7.874) 29.243 7.396 ( 11.837 6.834 5.025) 14.562 7.926 ( -6.030 -3.481 -3.468) 7.779 7.996 ( 52.420 30.265 -32.760) 68.826 8.075 ( 2.036 1.175 -5.862) 6.316 8.188 ( 4.497 2.596 -4.011) 6.561 8.239 ( 16.156 9.328 -13.452) 23.000 8.398 ( 13.733 7.929 -0.414) 15.863 9.217 ( -3.844 -2.219 15.420) 16.046 9.371 ( 1.277 0.737 18.296) 18.355 10.171 ( -6.538 -3.774 -15.131) 16.909 10.319 ( -0.465 -0.268 -12.854) 12.865 11.215 ( -8.197 -4.733 4.380) 10.430 11.309 ( -3.225 -1.862 3.998) 5.464 11.750 ( -4.497 -2.596 4.402) 6.808 12.090 ( -6.895 -3.981 -0.401) 7.972 12.125 ( -1.800 -1.039 -0.209) 2.089 12.155 ( -3.753 -2.167 -0.539) 4.367 12.477 ( -0.346 -0.200 2.888) 2.915 12.593 ( 6.252 3.610 1.603) 7.395 12.689 ( -0.456 -0.263 1.695) 1.775 15.275 ( -2.172 -1.254 -0.136) 2.512 15.485 ( 2.198 1.269 -9.918) 10.238 16.431 ( -32.299 -18.648 6.445) 37.848 16.860 ( -1.080 -0.624 0.132) 1.254 16.940 ( 1.274 0.736 0.052) 1.472 17.228 ( 23.594 13.622 -11.552) 29.591 19.242 ( -33.735 -19.477 22.047) 44.760 20.606 ( 0.065 0.037 -0.405) 0.412 20.716 ( 9.591 5.537 -1.304) 11.151 20.810 ( -0.116 -0.067 0.354) 0.378 22.377 ( 43.276 24.985 -26.132) 56.391 22.753 ( 4.038 2.331 2.592) 5.334 23.892 ( -5.765 -3.328 -0.125) 6.658 25.397 ( -2.309 -1.333 1.960) 3.309 25.494 ( -5.269 -3.042 0.978) 6.163 ======================= Grid point 111 (17/50) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 22.592 13.043 9.489) 27.759 1.390 ( 17.474 10.088 15.360) 25.358 1.557 ( 6.420 3.707 -15.574) 17.248 1.930 ( 10.541 6.086 -2.139) 12.359 2.115 ( 18.800 10.854 -10.697) 24.200 2.360 ( 7.082 4.089 9.770) 12.741 2.652 ( -6.424 -3.709 -4.006) 8.430 2.777 ( 0.091 0.052 3.663) 3.665 2.875 ( 3.746 2.163 6.950) 8.186 3.032 ( -5.056 -2.919 1.811) 6.112 3.116 ( 14.874 8.587 -2.133) 17.307 3.143 ( 0.970 0.560 -0.805) 1.380 3.243 ( 6.251 3.609 0.752) 7.257 3.287 ( -1.002 -0.578 -1.457) 1.861 3.455 ( -0.513 -0.296 -3.795) 3.841 3.577 ( 0.303 0.175 -4.184) 4.199 3.658 ( 13.424 7.750 1.916) 15.618 3.680 ( 0.839 0.485 1.292) 1.615 3.859 ( -7.256 -4.189 -0.145) 8.380 3.978 ( -2.716 -1.568 -1.059) 3.310 4.006 ( 2.461 1.421 -7.703) 8.211 4.107 ( 1.264 0.730 1.738) 2.270 4.327 ( 2.439 1.408 3.058) 4.157 4.438 ( 7.029 4.058 -2.703) 8.555 4.614 ( -0.568 -0.328 1.567) 1.698 4.726 ( 17.075 9.858 5.519) 20.475 4.891 ( 10.203 5.890 3.454) 12.277 5.125 ( 1.932 1.115 2.165) 3.109 5.129 ( 12.796 7.388 -0.976) 14.808 5.257 ( 9.266 5.350 1.169) 10.763 5.710 ( 4.815 2.780 -3.217) 6.424 6.110 ( 12.868 7.429 -0.800) 14.880 6.434 ( 9.718 5.611 3.653) 11.801 6.753 ( -4.085 -2.359 1.432) 4.930 6.976 ( 6.581 3.800 -11.464) 13.754 7.221 ( 12.083 6.976 -5.299) 14.924 7.551 ( 22.196 12.815 3.191) 25.828 7.629 ( 6.235 3.600 2.623) 7.663 7.801 ( -4.047 -2.337 -1.125) 4.807 8.095 ( 2.959 1.708 -2.010) 3.964 8.375 ( 12.050 6.957 -3.687) 14.394 8.392 ( 9.238 5.334 -5.784) 12.134 8.809 ( 21.392 12.351 0.551) 24.707 8.945 ( 12.304 7.103 0.301) 14.210 9.294 ( 16.681 9.631 -4.674) 19.821 9.390 ( 1.279 0.739 17.981) 18.042 9.992 ( -8.809 -5.086 -15.249) 18.330 10.260 ( -4.751 -2.743 -12.858) 13.979 11.001 ( -9.733 -5.619 4.639) 12.159 11.183 ( -7.778 -4.490 3.026) 9.477 11.657 ( -2.922 -1.687 3.621) 4.949 11.924 ( -7.201 -4.157 -0.579) 8.335 12.021 ( -8.065 -4.657 -0.404) 9.322 12.071 ( -3.336 -1.926 -1.031) 3.988 12.500 ( 2.641 1.525 2.968) 4.256 12.680 ( -0.129 -0.075 0.984) 0.995 12.795 ( 9.539 5.508 0.629) 11.033 15.202 ( -4.047 -2.337 -0.007) 4.673 15.279 ( -17.152 -9.903 -2.870) 20.012 15.775 ( -22.419 -12.944 1.464) 25.928 16.830 ( -1.421 -0.821 -0.208) 1.654 16.978 ( 1.943 1.122 0.254) 2.258 17.717 ( 16.468 9.508 -9.936) 21.455 18.785 ( -12.188 -7.037 8.872) 16.636 20.608 ( 0.145 0.084 -0.340) 0.379 20.806 ( -0.267 -0.154 0.300) 0.431 21.039 ( 17.966 10.373 -2.381) 20.882 22.848 ( 3.998 2.308 2.850) 5.425 22.992 ( 15.089 8.712 -8.907) 19.568 23.750 ( -6.075 -3.507 -0.143) 7.016 25.320 ( -4.407 -2.544 2.025) 5.476 25.361 ( -6.031 -3.482 -0.047) 6.964 ======================= Grid point 112 (18/50) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 8.557 4.940 -2.455) 10.181 1.828 ( 18.699 10.796 6.521) 22.555 1.880 ( 17.386 10.038 4.870) 20.658 2.093 ( 7.230 4.174 -6.382) 10.509 2.288 ( 4.631 2.674 -0.721) 5.396 2.482 ( -7.354 -4.246 -5.956) 10.372 2.647 ( 0.544 0.314 3.795) 3.846 2.857 ( 2.990 1.726 -2.451) 4.234 2.909 ( -2.426 -1.401 1.679) 3.266 2.973 ( 3.778 2.181 2.397) 4.978 3.154 ( 5.362 3.095 4.028) 7.386 3.159 ( 1.047 0.604 2.429) 2.713 3.207 ( -4.877 -2.816 0.008) 5.632 3.406 ( -3.592 -2.074 -0.994) 4.265 3.471 ( -9.039 -5.219 0.180) 10.439 3.566 ( -7.919 -4.572 -3.856) 9.924 3.597 ( 3.154 1.821 3.248) 4.880 3.751 ( 6.391 3.690 2.558) 7.811 3.883 ( 7.113 4.107 1.559) 8.360 4.031 ( 4.530 2.616 -4.497) 6.898 4.220 ( 10.119 5.842 -8.293) 14.328 4.268 ( 11.944 6.896 2.802) 14.073 4.373 ( 5.865 3.386 -1.163) 6.872 4.545 ( -4.281 -2.472 0.184) 4.947 4.592 ( 6.023 3.477 -4.730) 8.411 4.973 ( -2.457 -1.419 2.826) 4.005 5.139 ( 16.986 9.807 3.894) 19.996 5.189 ( 4.319 2.494 4.421) 6.664 5.479 ( 17.340 10.011 0.861) 20.041 5.505 ( 8.786 5.073 0.167) 10.147 5.844 ( 6.353 3.668 -2.121) 7.636 6.388 ( 9.573 5.527 0.179) 11.056 6.670 ( -2.230 -1.288 -1.171) 2.829 6.771 ( 18.256 10.540 6.921) 22.187 7.102 ( 3.845 2.220 -12.931) 13.672 7.472 ( 6.277 3.624 -4.114) 8.335 7.660 ( 1.512 0.873 -4.833) 5.139 7.784 ( 0.621 0.358 4.869) 4.921 8.048 ( 19.434 11.220 1.821) 22.515 8.203 ( 6.368 3.677 0.944) 7.414 8.572 ( 5.564 3.212 -0.574) 6.451 8.701 ( 13.658 7.885 -1.357) 15.829 9.081 ( 6.837 3.948 6.354) 10.134 9.246 ( 12.075 6.972 11.725) 18.218 9.583 ( 20.374 11.763 6.846) 24.502 9.744 ( 17.473 10.088 -1.773) 20.253 9.779 ( -8.649 -4.994 -15.755) 18.653 10.100 ( -8.865 -5.118 -13.207) 16.709 10.790 ( -8.279 -4.780 6.577) 11.603 10.950 ( -12.385 -7.150 2.112) 14.455 11.614 ( -1.188 -0.686 0.079) 1.374 11.771 ( -5.726 -3.306 0.453) 6.628 11.775 ( -13.445 -7.762 -0.268) 15.527 11.965 ( -5.723 -3.304 -1.786) 6.845 12.572 ( 2.892 1.670 3.024) 4.505 12.686 ( 0.808 0.467 -0.897) 1.294 13.005 ( 8.230 4.752 0.421) 9.513 14.840 ( -18.636 -10.760 0.447) 21.524 15.098 ( -4.644 -2.681 0.160) 5.364 15.361 ( -14.534 -8.391 -1.718) 16.870 16.798 ( -1.258 -0.727 -0.782) 1.650 17.024 ( 1.938 1.119 0.637) 2.326 17.985 ( 7.728 4.462 -4.423) 9.960 18.563 ( -7.752 -4.475 3.646) 9.665 20.613 ( 0.244 0.141 -0.187) 0.338 20.798 ( -0.416 -0.240 0.174) 0.511 21.501 ( 20.882 12.056 -2.366) 24.228 22.907 ( 1.042 0.602 1.490) 1.915 23.204 ( 4.366 2.521 -0.603) 5.078 23.635 ( -3.496 -2.019 -1.367) 4.262 25.192 ( -6.299 -3.637 -0.110) 7.275 25.231 ( -5.086 -2.936 1.142) 5.982 ======================= Grid point 113 (19/50) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 8.826 5.096 -1.413) 10.289 2.128 ( 6.377 3.682 0.965) 7.426 2.209 ( 5.675 3.276 3.358) 7.363 2.224 ( 4.057 2.342 -0.247) 4.691 2.365 ( 1.666 0.962 -1.782) 2.623 2.496 ( 12.273 7.086 -2.680) 14.423 2.619 ( -1.185 -0.684 2.791) 3.108 2.792 ( -3.219 -1.859 -0.271) 3.727 2.802 ( -4.877 -2.816 -3.135) 6.446 2.980 ( -0.710 -0.410 0.383) 0.904 3.031 ( -9.029 -5.213 -1.470) 10.529 3.168 ( -6.591 -3.805 0.365) 7.619 3.176 ( -2.168 -1.252 -0.711) 2.602 3.247 ( -9.625 -5.557 -0.642) 11.133 3.436 ( 0.350 0.202 0.693) 0.802 3.457 ( -5.391 -3.113 8.130) 10.240 3.630 ( 14.958 8.636 -0.968) 17.300 3.976 ( 5.360 3.094 -4.436) 7.614 4.066 ( 7.315 4.223 2.260) 8.744 4.152 ( 6.933 4.003 3.640) 8.794 4.234 ( -3.823 -2.207 -3.646) 5.726 4.462 ( -1.741 -1.005 -0.000) 2.010 4.513 ( 7.370 4.255 4.066) 9.432 4.671 ( 10.560 6.097 0.719) 12.215 4.700 ( 3.005 1.735 -7.320) 8.100 4.878 ( -3.709 -2.142 0.115) 4.285 5.264 ( 2.621 1.513 2.071) 3.667 5.461 ( 10.628 6.136 0.457) 12.280 5.621 ( 1.492 0.862 0.455) 1.782 5.874 ( 14.493 8.368 0.942) 16.762 5.969 ( 3.810 2.199 4.169) 6.061 6.459 ( -2.042 -1.179 0.210) 2.367 6.722 ( 5.316 3.069 -4.468) 7.592 7.130 ( -0.008 -0.005 -4.945) 4.945 7.203 ( 16.016 9.247 1.682) 18.570 7.484 ( -0.557 -0.321 -6.844) 6.874 7.775 ( -0.807 -0.466 5.256) 5.338 7.788 ( 4.982 2.876 -3.865) 6.930 8.318 ( 5.661 3.269 0.133) 6.539 8.435 ( 10.361 5.982 2.608) 12.245 8.633 ( 0.107 0.062 6.776) 6.777 8.877 ( 1.127 0.651 8.912) 9.006 9.337 ( 14.578 8.417 -2.656) 17.042 9.517 ( 4.834 2.791 -3.347) 6.509 9.626 ( 7.023 4.055 -2.570) 8.507 9.820 ( -11.278 -6.511 -14.144) 19.226 10.106 ( 10.373 5.989 2.389) 12.213 10.217 ( 28.802 16.629 0.367) 33.260 10.619 ( -15.939 -9.202 1.236) 18.446 10.622 ( -6.425 -3.710 8.747) 11.470 11.394 ( -19.606 -11.320 -0.181) 22.640 11.582 ( -1.821 -1.052 -2.671) 3.400 11.679 ( -1.976 -1.141 2.810) 3.620 11.826 ( -5.769 -3.331 -2.759) 7.211 12.610 ( 0.420 0.242 3.480) 3.514 12.721 ( 1.950 1.126 -3.100) 3.832 13.158 ( 4.794 2.768 0.402) 5.550 14.483 ( -11.386 -6.573 1.436) 13.225 15.004 ( -3.199 -1.847 0.291) 3.706 15.099 ( -7.912 -4.568 -2.234) 9.405 16.777 ( -0.530 -0.306 -1.337) 1.470 17.060 ( 1.041 0.601 1.036) 1.587 18.111 ( 3.808 2.199 -1.990) 4.827 18.418 ( -4.831 -2.789 2.163) 5.983 20.618 ( 0.162 0.094 0.005) 0.187 20.789 ( -0.301 -0.174 0.008) 0.348 21.940 ( 15.713 9.072 -2.028) 18.257 22.907 ( -0.553 -0.319 0.625) 0.893 23.234 ( -0.754 -0.435 0.737) 1.141 23.584 ( -1.506 -0.869 -0.705) 1.876 25.062 ( -4.315 -2.491 -0.061) 4.983 25.129 ( -3.583 -2.069 0.590) 4.179 ======================= Grid point 114 (20/50) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 1.450 0.837 0.348) 1.710 2.153 ( -2.581 -1.490 -2.495) 3.886 2.180 ( 0.484 0.279 -0.382) 0.677 2.230 ( -4.926 -2.844 -1.717) 5.942 2.476 ( 1.145 0.661 2.385) 2.727 2.621 ( 0.580 0.335 -1.365) 1.520 2.682 ( -1.892 -1.092 0.563) 2.256 2.758 ( 1.256 0.725 0.296) 1.480 2.789 ( 3.274 1.890 0.425) 3.804 2.880 ( 0.345 0.199 -0.655) 0.767 3.032 ( -1.604 -0.926 -0.949) 2.081 3.033 ( -6.128 -3.538 -6.101) 9.343 3.069 ( -0.185 -0.107 0.537) 0.578 3.074 ( 2.208 1.275 0.346) 2.573 3.451 ( 3.272 1.889 10.533) 11.190 3.520 ( 6.596 3.808 6.720) 10.157 3.864 ( 2.960 1.709 -7.105) 7.884 4.020 ( -0.307 -0.177 -7.185) 7.194 4.126 ( -3.397 -1.961 0.933) 4.032 4.143 ( -1.786 -1.031 -3.556) 4.110 4.289 ( 3.733 2.155 5.859) 7.274 4.488 ( 2.305 1.331 1.628) 3.120 4.554 ( -4.655 -2.687 3.588) 6.463 4.680 ( -4.560 -2.633 6.736) 8.550 4.743 ( 1.317 0.760 -6.513) 6.688 4.853 ( -2.190 -1.264 -1.038) 2.734 5.348 ( 3.372 1.947 -2.011) 4.382 5.620 ( 0.087 0.050 1.277) 1.281 5.629 ( 4.103 2.369 -3.196) 5.715 5.918 ( -6.479 -3.741 9.141) 11.813 6.080 ( -2.042 -1.179 0.034) 2.359 6.431 ( 1.971 1.138 -0.240) 2.289 6.803 ( 1.243 0.718 -4.284) 4.518 7.044 ( -6.622 -3.823 -6.193) 9.840 7.508 ( 8.973 5.180 4.535) 11.310 7.541 ( 5.200 3.002 -10.002) 11.666 7.729 ( -2.669 -1.541 2.466) 3.947 7.862 ( 1.754 1.013 0.458) 2.077 8.390 ( 0.204 0.118 7.278) 7.282 8.514 ( -4.358 -2.516 -6.700) 8.379 8.607 ( -2.254 -1.301 9.786) 10.126 8.789 ( -7.778 -4.491 12.184) 15.137 9.495 ( -0.030 -0.017 -12.985) 12.985 9.595 ( -6.079 -3.509 -14.148) 15.794 9.671 ( 11.904 6.873 -4.414) 14.437 10.022 ( 15.264 8.813 8.852) 19.724 10.243 ( 0.107 0.062 -1.469) 1.474 10.254 ( -11.049 -6.379 -2.594) 13.019 10.503 ( -2.501 -1.444 13.393) 13.701 10.789 ( -0.890 -0.514 0.358) 1.088 10.940 ( 0.996 0.575 -0.405) 1.219 11.547 ( -0.834 -0.482 -1.900) 2.130 11.678 ( 1.856 1.072 2.564) 3.341 11.733 ( -1.625 -0.938 -3.512) 3.982 12.602 ( -0.928 -0.536 2.226) 2.470 12.756 ( 0.834 0.481 -2.706) 2.872 13.215 ( -0.022 -0.012 0.428) 0.429 14.350 ( 0.246 0.142 1.753) 1.776 14.964 ( -0.096 -0.055 0.337) 0.354 15.007 ( 0.100 0.058 -2.257) 2.260 16.776 ( 0.484 0.280 -1.623) 1.717 17.068 ( -0.373 -0.216 1.267) 1.339 18.177 ( 2.033 1.174 -2.063) 3.126 18.344 ( -1.566 -0.904 2.548) 3.124 20.618 ( -0.147 -0.085 0.096) 0.195 20.787 ( 0.128 0.074 -0.072) 0.165 22.150 ( 1.100 0.635 -1.964) 2.339 22.906 ( 0.674 0.389 0.490) 0.919 23.213 ( -0.534 -0.308 -0.096) 0.624 23.547 ( -1.595 -0.921 0.551) 1.923 25.018 ( 0.682 0.394 0.583) 0.980 25.079 ( -0.471 -0.272 -0.264) 0.604 ======================= Grid point 116 (21/50) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -12.049 -6.956 -1.473) 13.991 2.033 ( -11.558 -6.673 1.074) 13.389 2.147 ( -0.275 -0.159 2.190) 2.213 2.184 ( -1.782 -1.029 -0.783) 2.202 2.485 ( -8.568 -4.947 -1.278) 9.976 2.507 ( 0.959 0.554 0.269) 1.139 2.615 ( -0.767 -0.443 1.236) 1.521 2.716 ( -4.945 -2.855 -4.038) 6.993 2.822 ( 3.393 1.959 0.517) 3.952 2.956 ( 1.429 0.825 -0.911) 1.885 3.016 ( 5.403 3.120 -0.370) 6.250 3.098 ( 7.485 4.322 1.079) 8.710 3.158 ( 6.882 3.973 0.351) 7.955 3.275 ( 10.068 5.813 -0.464) 11.635 3.560 ( 5.952 3.437 7.171) 9.933 3.678 ( 4.361 2.518 4.678) 6.873 3.792 ( -6.847 -3.953 -10.190) 12.898 3.927 ( -12.126 -7.001 7.209) 15.749 3.973 ( -3.994 -2.306 -4.959) 6.772 4.144 ( -0.089 -0.051 -3.233) 3.235 4.302 ( -8.633 -4.984 4.229) 10.828 4.329 ( -7.469 -4.312 1.814) 8.814 4.472 ( -12.186 -7.036 1.629) 14.166 4.526 ( 1.787 1.032 -1.288) 2.433 4.744 ( -1.980 -1.143 -5.984) 6.406 4.871 ( 3.576 2.064 0.249) 4.136 5.331 ( -4.207 -2.429 2.143) 5.309 5.612 ( -10.294 -5.943 -0.787) 11.913 5.650 ( 0.637 0.368 0.399) 0.837 5.707 ( -8.036 -4.640 2.898) 9.721 5.841 ( -13.581 -7.841 2.232) 15.840 6.484 ( -0.607 -0.351 1.276) 1.456 6.812 ( 0.737 0.426 -4.513) 4.593 6.835 ( -11.213 -6.474 -2.099) 13.116 7.595 ( -1.704 -0.984 -1.808) 2.672 7.612 ( -3.927 -2.267 -2.455) 5.156 7.681 ( 1.429 0.825 -6.205) 6.420 7.905 ( 1.882 1.087 1.682) 2.749 8.255 ( -13.476 -7.780 -2.232) 15.720 8.348 ( -6.747 -3.895 3.586) 8.577 8.512 ( -5.211 -3.008 8.118) 10.105 8.596 ( -7.246 -4.184 8.780) 12.128 9.401 ( -10.519 -6.073 -1.577) 12.248 9.538 ( -1.191 -0.688 -2.617) 2.957 9.797 ( -0.492 -0.284 -11.052) 11.066 9.999 ( -0.920 -0.531 -4.200) 4.332 10.128 ( -8.383 -4.840 -2.194) 9.925 10.180 ( -26.468 -15.281 1.737) 30.612 10.530 ( 14.575 8.415 1.678) 16.913 10.574 ( 8.365 4.829 10.800) 14.489 11.400 ( 19.596 11.314 -0.172) 22.629 11.545 ( 0.669 0.387 -0.914) 1.197 11.740 ( 2.907 1.678 -1.492) 3.674 11.780 ( 5.647 3.260 0.014) 6.520 12.571 ( -1.811 -1.046 1.628) 2.650 12.756 ( -0.771 -0.445 -1.460) 1.710 13.157 ( -4.918 -2.839 0.400) 5.692 14.493 ( 11.654 6.729 1.412) 13.531 14.999 ( 3.040 1.755 0.289) 3.522 15.106 ( 8.464 4.887 -2.205) 10.019 16.798 ( 1.339 0.773 -1.507) 2.159 17.044 ( -1.665 -0.961 1.208) 2.271 18.201 ( -0.311 -0.180 -4.249) 4.265 18.349 ( 2.132 1.231 4.410) 5.050 20.612 ( -0.360 -0.208 0.005) 0.415 20.794 ( 0.469 0.271 0.008) 0.541 21.986 ( -14.107 -8.145 -2.181) 16.435 22.928 ( 0.614 0.355 0.729) 1.017 23.195 ( -1.798 -1.038 0.900) 2.263 23.538 ( 1.473 0.851 -0.809) 1.884 25.082 ( 4.249 2.453 -0.365) 4.920 25.116 ( 3.853 2.225 0.885) 4.537 ======================= Grid point 117 (22/50) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -17.562 -10.139 -0.726) 20.291 1.680 ( -18.851 -10.883 5.353) 22.415 2.024 ( -10.665 -6.157 -5.268) 13.394 2.153 ( 1.273 0.735 9.069) 9.187 2.378 ( -9.499 -5.484 -13.122) 17.102 2.408 ( 0.707 0.408 -2.172) 2.320 2.654 ( 3.683 2.127 5.947) 7.311 2.776 ( 6.857 3.959 3.778) 8.773 2.895 ( 1.973 1.139 0.813) 2.419 2.986 ( 0.946 0.546 -2.089) 2.357 3.148 ( 2.538 1.465 0.737) 3.022 3.231 ( 3.356 1.938 1.325) 4.095 3.298 ( -3.722 -2.149 3.791) 5.731 3.426 ( -6.227 -3.595 2.729) 7.690 3.512 ( 4.644 2.681 -1.565) 5.586 3.661 ( -5.963 -3.443 -3.480) 7.715 3.685 ( -1.012 -0.584 4.266) 4.423 3.751 ( -3.076 -1.776 -2.412) 4.294 3.795 ( -10.390 -5.998 5.440) 13.173 3.958 ( -11.151 -6.438 -8.955) 15.684 4.132 ( -2.300 -1.328 -4.682) 5.383 4.260 ( -3.340 -1.928 4.289) 5.768 4.308 ( -0.150 -0.086 -2.455) 2.461 4.565 ( 1.462 0.844 -0.150) 1.695 4.623 ( -8.689 -5.017 -5.453) 11.419 4.933 ( 0.599 0.346 2.434) 2.530 5.202 ( -6.321 -3.650 4.559) 8.606 5.252 ( -17.311 -9.994 7.207) 21.248 5.353 ( -18.418 -10.634 -2.199) 21.380 5.576 ( -7.443 -4.297 0.289) 8.599 5.712 ( -2.270 -1.310 -2.311) 3.494 6.364 ( -8.943 -5.163 -0.105) 10.327 6.556 ( -11.841 -6.837 1.335) 13.738 6.854 ( 2.388 1.379 -0.982) 2.927 7.405 ( -12.353 -7.132 -2.580) 14.495 7.433 ( -11.428 -6.598 -10.601) 16.926 7.719 ( 0.195 0.113 -3.473) 3.480 7.911 ( -15.931 -9.198 4.861) 19.027 7.918 ( -0.333 -0.192 0.249) 0.458 8.162 ( -8.047 -4.646 -1.309) 9.383 8.399 ( -4.507 -2.602 3.612) 6.335 8.465 ( -5.973 -3.448 2.093) 7.207 9.138 ( -8.398 -4.848 7.829) 12.463 9.449 ( -5.730 -3.308 13.498) 15.032 9.482 ( -29.077 -16.788 -0.868) 33.587 9.694 ( -12.460 -7.194 -8.655) 16.790 9.966 ( -1.001 -0.578 -14.450) 14.496 10.121 ( 6.508 3.757 -6.636) 10.025 10.820 ( 11.480 6.628 5.660) 14.414 10.862 ( 12.794 7.387 2.926) 15.060 11.582 ( 2.675 1.545 0.954) 3.233 11.780 ( 13.457 7.770 -0.255) 15.541 11.828 ( 4.506 2.601 -2.563) 5.800 11.929 ( 6.571 3.794 0.811) 7.631 12.521 ( -2.328 -1.344 1.584) 3.120 12.726 ( -1.675 -0.967 0.197) 1.945 13.001 ( -8.287 -4.784 0.408) 9.578 14.848 ( 18.112 10.457 0.414) 20.918 15.091 ( 4.584 2.646 0.159) 5.295 15.393 ( 16.303 9.412 -1.659) 18.898 16.834 ( 1.692 0.977 -1.046) 2.216 16.997 ( -2.305 -1.331 0.903) 2.811 18.135 ( -6.281 -3.626 -8.180) 10.932 18.448 ( 6.628 3.827 7.313) 10.585 20.604 ( -0.266 -0.154 -0.173) 0.353 20.805 ( 0.432 0.250 0.160) 0.524 21.566 ( -21.002 -12.126 -2.692) 24.400 22.900 ( -3.347 -1.932 1.719) 4.230 23.120 ( -4.790 -2.766 -0.260) 5.537 23.615 ( 4.879 2.817 -1.545) 5.842 25.192 ( 5.176 2.988 0.038) 5.977 25.241 ( 6.160 3.556 0.966) 7.178 ======================= Grid point 118 (23/50) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -19.584 -11.307 3.292) 22.852 1.211 ( -20.267 -11.701 12.161) 26.373 1.788 ( -8.691 -5.018 -12.336) 15.902 2.132 ( -9.761 -5.636 -13.096) 17.279 2.228 ( 3.374 1.948 8.969) 9.779 2.294 ( -21.191 -12.235 5.074) 24.990 2.674 ( -13.705 -7.912 6.666) 17.172 2.765 ( 4.787 2.764 3.814) 6.715 2.884 ( -2.467 -1.425 -1.507) 3.223 2.899 ( -0.008 -0.005 2.043) 2.043 3.144 ( 4.435 2.561 -1.906) 5.464 3.207 ( -8.837 -5.102 0.465) 10.214 3.241 ( -1.079 -0.623 -2.021) 2.374 3.340 ( -9.937 -5.737 -1.522) 11.575 3.448 ( 0.215 0.124 -5.902) 5.907 3.543 ( 0.574 0.331 -3.521) 3.583 3.581 ( -14.215 -8.207 3.205) 16.724 3.689 ( 0.332 0.192 0.722) 0.817 3.796 ( 9.898 5.715 0.896) 11.465 3.952 ( 4.872 2.813 -0.620) 5.659 4.085 ( -0.800 -0.462 -6.732) 6.795 4.192 ( -1.944 -1.122 2.335) 3.239 4.296 ( -2.347 -1.355 2.802) 3.899 4.387 ( -10.015 -5.782 -3.143) 11.983 4.590 ( -1.058 -0.611 0.991) 1.573 4.830 ( -17.990 -10.387 7.870) 22.214 4.831 ( -10.029 -5.790 3.685) 12.152 5.028 ( -10.102 -5.832 -3.967) 12.321 5.110 ( -0.434 -0.251 3.417) 3.454 5.331 ( -12.129 -7.002 0.804) 14.028 5.659 ( -2.103 -1.214 -3.171) 3.994 6.115 ( -11.773 -6.797 -0.625) 13.608 6.350 ( -5.086 -2.937 1.727) 6.122 6.904 ( 1.593 0.920 3.724) 4.153 7.105 ( -12.066 -6.966 -7.411) 15.781 7.137 ( -13.062 -7.541 -12.110) 19.342 7.511 ( -18.179 -10.496 5.821) 21.783 7.637 ( -7.683 -4.436 3.030) 9.375 7.939 ( 2.409 1.391 -2.256) 3.581 8.029 ( -3.433 -1.982 -3.716) 5.433 8.282 ( -8.311 -4.798 -3.952) 10.379 8.291 ( -5.307 -3.064 -1.438) 6.294 8.828 ( -22.665 -13.085 -0.100) 26.171 9.127 ( 1.920 1.109 12.729) 12.920 9.185 ( -30.526 -17.624 -20.503) 40.778 9.356 ( -2.487 -1.436 19.277) 19.490 10.047 ( 5.540 3.198 -17.276) 18.422 10.255 ( 4.524 2.612 -9.582) 10.913 11.066 ( 9.585 5.534 3.256) 11.537 11.110 ( 8.723 5.036 3.864) 10.789 11.668 ( 4.482 2.588 3.741) 6.386 11.941 ( 5.348 3.087 -1.873) 6.453 12.026 ( 8.031 4.637 -0.386) 9.281 12.061 ( 4.514 2.606 0.191) 5.216 12.475 ( -1.324 -0.765 2.717) 3.118 12.686 ( -1.937 -1.118 1.153) 2.516 12.796 ( -8.702 -5.024 0.628) 10.067 15.195 ( 4.116 2.376 -0.007) 4.753 15.266 ( 16.336 9.432 -2.338) 19.008 15.857 ( 24.024 13.870 0.719) 27.750 16.871 ( 1.485 0.857 -0.443) 1.770 16.945 ( -2.093 -1.208 0.489) 2.465 17.857 ( -19.062 -11.005 -14.298) 26.247 18.676 ( 14.127 8.156 12.800) 20.734 20.601 ( -0.036 -0.021 -0.320) 0.322 20.812 ( 0.177 0.102 0.280) 0.346 21.081 ( -19.596 -11.314 -2.729) 22.792 22.778 ( -7.834 -4.523 -0.639) 9.069 22.947 ( -10.441 -6.028 -4.087) 12.730 23.748 ( 6.287 3.630 -0.633) 7.287 25.310 ( 4.695 2.710 1.566) 5.642 25.378 ( 5.534 3.195 0.338) 6.399 ======================= Grid point 119 (24/50) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -14.773 -8.529 13.815) 21.951 0.834 ( -11.083 -6.399 25.121) 28.193 1.504 ( -36.355 -20.990 20.655) 46.786 1.656 ( -4.117 -2.377 -18.322) 18.928 1.883 ( -11.024 -6.365 -19.710) 23.463 2.354 ( 6.841 3.950 15.219) 17.147 2.560 ( -0.872 -0.503 -4.106) 4.228 2.599 ( -17.264 -9.967 -7.039) 21.141 2.810 ( -2.800 -1.617 4.092) 5.216 2.915 ( 7.434 4.292 -7.475) 11.383 3.147 ( -1.096 -0.633 -0.080) 1.268 3.162 ( -1.325 -0.765 -4.577) 4.826 3.211 ( -3.459 -1.997 0.356) 4.010 3.264 ( 1.964 1.134 -2.456) 3.343 3.278 ( -9.282 -5.359 5.693) 12.137 3.478 ( 1.315 0.759 0.649) 1.652 3.557 ( 0.564 0.326 -3.228) 3.293 3.670 ( -0.756 -0.437 1.368) 1.623 4.020 ( 7.354 4.246 3.454) 9.167 4.021 ( 0.929 0.537 -0.740) 1.304 4.083 ( -0.193 -0.111 -3.626) 3.632 4.182 ( 0.483 0.279 2.356) 2.421 4.210 ( -5.093 -2.940 -0.464) 5.899 4.244 ( -1.423 -0.821 4.663) 4.944 4.466 ( -7.864 -4.540 1.893) 9.275 4.503 ( -9.291 -5.364 4.862) 11.779 4.595 ( -7.653 -4.418 5.893) 10.621 4.846 ( -5.710 -3.297 -3.240) 7.347 4.965 ( -11.653 -6.728 -2.029) 13.607 5.252 ( 4.275 2.468 3.634) 6.130 5.623 ( -1.043 -0.602 -2.606) 2.871 5.868 ( -8.596 -4.963 -0.038) 9.926 6.315 ( 0.935 0.540 -0.790) 1.338 6.837 ( -6.395 -3.692 -4.746) 8.778 6.857 ( -11.787 -6.805 -8.144) 15.861 6.999 ( 2.975 1.718 -0.203) 3.442 7.084 ( -21.916 -12.653 -6.701) 26.179 7.399 ( -11.579 -6.685 4.880) 14.233 7.954 ( -47.902 -27.656 -32.452) 64.130 8.000 ( -1.901 -1.098 -5.034) 5.492 8.017 ( 4.221 2.437 -2.294) 5.387 8.140 ( -3.973 -2.294 -5.935) 7.502 8.307 ( -21.984 -12.692 -16.679) 30.374 8.395 ( -14.231 -8.216 -0.481) 16.440 9.221 ( 4.741 2.737 15.623) 16.554 9.346 ( 0.316 0.183 19.499) 19.503 10.179 ( 5.564 3.213 -15.593) 16.865 10.316 ( 0.657 0.379 -12.205) 12.229 11.256 ( 6.644 3.836 3.704) 8.519 11.266 ( 4.872 2.813 4.575) 7.251 11.765 ( 3.419 1.974 3.848) 5.513 12.084 ( 6.855 3.958 -0.434) 7.928 12.130 ( 1.816 1.049 -0.240) 2.111 12.159 ( 3.627 2.094 -0.523) 4.221 12.477 ( 0.967 0.558 3.075) 3.272 12.578 ( -5.256 -3.035 1.825) 6.338 12.694 ( -0.464 -0.268 1.570) 1.659 15.271 ( 2.328 1.344 -0.135) 2.692 15.481 ( -1.143 -0.660 -9.052) 9.147 16.487 ( 28.695 16.567 4.422) 33.428 16.899 ( 0.853 0.492 0.603) 1.155 16.905 ( -1.223 -0.706 -0.421) 1.474 17.267 ( -28.432 -16.415 -14.220) 35.778 19.210 ( 37.550 21.679 24.282) 49.695 20.602 ( 0.103 0.059 -0.392) 0.410 20.723 ( -10.576 -6.106 -1.409) 12.293 20.814 ( -0.026 -0.015 0.341) 0.342 22.317 ( -38.838 -22.423 -24.355) 51.033 22.756 ( -4.731 -2.732 2.330) 5.939 23.891 ( 5.797 3.347 -0.268) 6.699 25.395 ( 2.551 1.473 1.907) 3.509 25.497 ( 4.865 2.809 0.969) 5.701 ======================= Grid point 121 (25/50) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 19.169 11.343 17.518) 28.337 1.155 ( 19.979 19.812 5.352) 28.641 1.638 ( -4.235 10.850 -15.485) 19.376 1.968 ( 1.502 23.491 4.348) 23.938 2.058 ( 7.107 21.438 -11.325) 25.266 2.308 ( 2.794 -2.150 12.448) 12.938 2.647 ( 3.707 -0.444 0.299) 3.746 2.782 ( -1.220 2.480 -1.983) 3.402 2.824 ( 1.365 -3.067 5.019) 6.038 2.986 ( 11.437 14.232 -1.754) 18.342 3.116 ( -1.439 2.000 1.546) 2.909 3.134 ( -2.028 2.316 -2.678) 4.080 3.223 ( -1.175 -2.235 -1.983) 3.210 3.299 ( 1.545 3.883 -3.655) 5.552 3.447 ( 0.836 0.254 -3.993) 4.088 3.533 ( 7.533 8.512 3.217) 11.813 3.575 ( 4.398 3.914 -1.995) 6.217 3.678 ( 0.478 1.802 1.624) 2.473 3.882 ( -3.700 -10.879 0.294) 11.494 3.965 ( -3.468 -4.788 -0.571) 5.940 4.059 ( -1.418 2.863 -3.746) 4.924 4.185 ( -4.060 3.477 0.573) 5.376 4.260 ( 4.906 1.794 2.649) 5.857 4.365 ( 6.363 4.911 -0.330) 8.045 4.561 ( 2.344 4.901 0.220) 5.438 4.710 ( 6.470 16.354 6.237) 18.661 4.785 ( 8.194 8.910 3.715) 12.662 5.029 ( 10.430 10.242 -2.302) 14.798 5.099 ( 0.954 2.229 0.526) 2.481 5.217 ( 1.356 6.887 2.329) 7.395 5.680 ( 3.623 2.648 -3.476) 5.676 6.086 ( 8.940 16.722 0.240) 18.963 6.351 ( 4.689 3.328 2.326) 6.203 6.847 ( -5.559 2.130 3.868) 7.099 6.979 ( 1.505 10.650 -11.469) 15.723 7.107 ( 9.200 8.221 -7.394) 14.384 7.385 ( 10.842 17.803 2.919) 21.048 7.583 ( 5.319 9.343 3.967) 11.460 7.898 ( -7.607 0.656 -3.166) 8.266 8.007 ( 3.762 -3.232 -2.049) 5.366 8.275 ( 7.752 7.376 -6.197) 12.366 8.347 ( 9.324 8.341 -2.655) 12.789 8.602 ( 8.844 19.744 -4.824) 22.166 8.935 ( 10.757 29.133 -13.512) 33.868 9.191 ( 6.142 4.593 5.487) 9.430 9.366 ( 1.858 0.037 19.179) 19.269 10.062 ( -5.518 -6.334 -16.017) 18.086 10.285 ( -1.767 -3.494 -11.559) 12.204 11.084 ( -7.407 -8.149 3.876) 11.674 11.201 ( -1.970 -8.451 3.564) 9.381 11.689 ( -2.883 -3.415 4.382) 6.259 11.973 ( -4.119 -6.626 -1.088) 7.877 12.038 ( -4.283 -6.956 -0.593) 8.190 12.117 ( -1.592 -3.052 -0.182) 3.447 12.480 ( 1.509 1.125 2.872) 3.434 12.690 ( 1.559 1.201 2.414) 3.114 12.725 ( 3.872 8.165 -0.163) 9.038 15.215 ( -2.399 -4.554 -0.066) 5.148 15.390 ( -5.792 -11.952 -4.739) 14.101 15.944 ( -19.421 -25.664 3.288) 32.352 16.880 ( -3.384 1.301 0.856) 3.725 16.924 ( 2.879 -1.587 -0.652) 3.351 17.673 ( 8.212 24.602 -13.703) 29.333 18.828 ( -5.505 -17.625 12.974) 22.567 20.622 ( 0.860 0.086 -0.050) 0.866 20.736 ( -1.231 -0.090 -1.092) 1.648 21.003 ( 8.782 17.216 -1.193) 19.363 22.783 ( 10.686 8.643 -2.234) 13.925 22.873 ( 6.899 12.566 -6.806) 15.869 23.786 ( -3.701 -6.509 -0.110) 7.488 25.341 ( -2.013 -4.181 1.935) 5.028 25.405 ( -3.765 -5.402 0.348) 6.593 ======================= Grid point 122 (26/50) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 16.311 8.682 11.329) 21.675 1.671 ( 13.590 15.219 0.428) 20.408 1.790 ( 9.302 17.204 -5.962) 20.446 2.075 ( 0.953 8.414 -8.661) 12.113 2.260 ( 2.234 2.786 2.021) 4.103 2.520 ( 0.954 -2.897 -3.647) 4.754 2.654 ( 2.276 10.863 -0.358) 11.105 2.757 ( 2.327 -1.048 4.838) 5.470 2.909 ( 4.180 1.808 7.866) 9.089 3.027 ( -2.417 4.118 2.590) 5.432 3.106 ( 0.704 -3.266 0.697) 3.413 3.148 ( -1.462 -1.754 1.725) 2.862 3.247 ( -1.707 -1.998 0.711) 2.723 3.439 ( -1.594 -0.750 -2.552) 3.101 3.524 ( 9.245 14.060 -0.071) 16.828 3.565 ( -3.665 0.358 -0.106) 3.683 3.624 ( -4.822 -6.004 -0.975) 7.762 3.751 ( 2.443 -2.609 1.444) 3.854 3.797 ( -2.232 0.459 -0.901) 2.450 3.991 ( 15.802 4.657 -4.574) 17.097 4.068 ( -0.184 5.070 -7.600) 9.138 4.255 ( 4.705 11.193 0.555) 12.154 4.353 ( 2.721 4.135 1.421) 5.150 4.517 ( 4.767 3.210 -1.338) 5.901 4.599 ( -0.321 1.849 -2.821) 3.388 4.940 ( 3.218 5.630 2.303) 6.882 5.054 ( 11.271 4.652 4.278) 12.922 5.112 ( 3.996 9.392 5.990) 11.835 5.365 ( 13.040 13.841 -1.361) 19.064 5.408 ( 6.875 8.912 0.848) 11.287 5.789 ( 5.269 3.640 -4.295) 7.711 6.428 ( 5.483 21.535 0.415) 22.226 6.582 ( 13.316 10.570 5.321) 17.814 6.769 ( -4.810 3.659 4.486) 7.526 7.103 ( 0.836 7.958 -13.392) 15.600 7.379 ( 11.091 8.461 -6.033) 15.198 7.679 ( -1.128 1.478 -2.180) 2.865 7.785 ( 14.210 8.552 3.737) 17.000 7.823 ( 1.209 4.911 2.464) 5.626 8.079 ( 6.904 -1.220 -2.062) 7.308 8.527 ( 9.993 8.590 -7.454) 15.139 8.602 ( 9.104 11.853 2.916) 15.228 9.029 ( 13.764 14.799 0.373) 20.214 9.071 ( 7.858 3.917 9.266) 12.765 9.410 ( 4.319 2.423 15.569) 16.338 9.614 ( 14.049 17.180 -3.750) 22.507 9.884 ( -7.600 -4.110 -15.320) 17.589 10.177 ( -5.529 -5.347 -12.015) 14.266 10.867 ( -7.863 -7.865 5.452) 12.386 11.024 ( -7.030 -11.259 2.885) 13.583 11.632 ( -1.255 -0.938 1.736) 2.339 11.826 ( -5.450 -5.179 -1.098) 7.598 11.846 ( -7.471 -11.481 -0.699) 13.716 12.030 ( -4.550 -3.641 -0.465) 5.846 12.545 ( 3.142 2.692 1.089) 4.279 12.698 ( -0.894 1.735 1.858) 2.694 12.914 ( 7.648 6.208 0.078) 9.851 15.037 ( -15.242 -11.490 -0.451) 19.093 15.126 ( -4.300 -7.956 -0.295) 9.049 15.460 ( -12.172 -16.405 -0.060) 20.428 16.829 ( -3.018 0.284 0.121) 3.034 16.959 ( 3.544 -2.743 -0.040) 4.481 17.971 ( 4.548 13.293 -6.959) 15.679 18.623 ( -4.866 -7.767 5.139) 10.508 20.622 ( -0.897 0.635 0.160) 1.111 20.727 ( 2.690 -4.721 -0.753) 5.486 21.400 ( 13.031 22.585 -1.773) 26.135 22.907 ( 1.904 3.495 2.360) 4.627 23.128 ( 7.554 4.550 -2.903) 9.284 23.658 ( -3.570 -5.435 -1.110) 6.596 25.243 ( -4.214 -4.913 0.796) 6.521 25.274 ( -4.601 -5.165 0.494) 6.935 ======================= Grid point 123 (27/50) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 7.690 7.413 0.645) 10.700 1.992 ( 11.707 7.614 3.845) 14.485 2.161 ( 8.032 11.281 0.631) 13.862 2.206 ( 4.634 8.508 -2.017) 9.896 2.391 ( 8.427 8.194 -2.201) 11.959 2.408 ( -4.631 -1.680 -4.733) 6.831 2.647 ( -1.306 -0.037 4.738) 4.915 2.809 ( -1.386 -2.996 -2.787) 4.321 2.871 ( -5.044 -1.324 1.270) 5.367 2.990 ( -2.076 -3.178 0.861) 3.892 3.106 ( 2.109 -5.273 0.514) 5.702 3.152 ( -3.924 -1.780 3.544) 5.579 3.221 ( -5.131 -4.562 -0.767) 6.908 3.374 ( -10.027 -4.226 -0.002) 10.881 3.438 ( -4.179 -2.419 -0.929) 4.918 3.498 ( 8.724 10.030 1.428) 13.370 3.551 ( -7.547 -4.650 1.411) 8.977 3.806 ( 9.623 -3.037 -1.333) 10.179 3.992 ( 9.539 9.227 3.641) 13.762 4.135 ( 1.008 4.515 -3.021) 5.526 4.264 ( 2.269 -0.823 -2.660) 3.592 4.417 ( 6.454 6.966 2.936) 9.940 4.530 ( 6.045 6.810 -1.118) 9.174 4.583 ( 3.573 12.536 -1.593) 13.132 4.709 ( 4.006 8.732 -7.072) 11.929 4.939 ( -4.320 0.379 2.497) 5.004 5.195 ( 6.937 0.020 3.915) 7.965 5.400 ( 7.066 13.186 1.220) 15.010 5.564 ( 5.230 0.808 1.047) 5.395 5.756 ( 13.519 16.381 1.591) 21.299 5.929 ( 6.008 4.073 -2.412) 7.649 6.549 ( -6.311 3.332 1.865) 7.377 6.812 ( -0.245 20.063 -0.992) 20.089 7.010 ( 16.014 11.720 10.023) 22.232 7.145 ( -1.353 2.774 -12.292) 12.674 7.555 ( -1.563 5.492 -5.846) 8.172 7.723 ( 6.204 4.751 -4.635) 9.085 7.811 ( -2.224 2.714 3.698) 5.098 8.124 ( 14.972 -8.355 5.762) 18.087 8.240 ( 10.312 6.493 -4.820) 13.104 8.660 ( -2.312 6.517 5.802) 9.027 8.946 ( 15.299 10.909 -1.453) 18.846 9.237 ( 3.812 13.813 2.531) 14.551 9.363 ( 9.867 5.235 13.907) 17.838 9.650 ( -4.124 -4.510 -13.646) 14.952 9.756 ( 25.694 4.555 -1.021) 26.114 9.920 ( -4.996 -2.134 -10.127) 11.492 10.103 ( 7.388 11.719 0.060) 13.853 10.669 ( -6.098 -7.811 7.506) 12.432 10.741 ( -11.006 -13.240 2.359) 17.378 11.520 ( -11.758 -15.259 -0.198) 19.264 11.627 ( -2.894 -0.091 -2.397) 3.759 11.706 ( -2.986 -2.870 1.318) 4.346 11.895 ( -6.120 -4.158 -1.564) 7.562 12.619 ( 1.486 2.663 1.818) 3.550 12.703 ( 0.241 1.084 -0.559) 1.243 13.088 ( 6.408 3.514 0.189) 7.311 14.649 ( -15.364 -7.748 0.903) 17.231 15.003 ( -1.325 -7.968 -0.212) 8.080 15.158 ( -8.165 -9.870 -1.019) 12.850 16.789 ( -1.513 -0.301 -0.649) 1.674 16.989 ( 3.844 -4.369 0.558) 5.846 18.122 ( 1.408 8.018 -2.887) 8.638 18.487 ( -5.008 -2.611 2.238) 6.075 20.613 ( -0.228 -0.389 0.212) 0.498 20.728 ( 3.049 -5.138 -0.482) 5.994 21.855 ( 12.622 21.249 -1.416) 24.755 22.941 ( -1.343 2.899 1.128) 3.388 23.219 ( 1.614 -0.953 0.321) 1.901 23.572 ( -0.666 -4.320 -1.428) 4.599 25.106 ( -4.960 -4.945 -0.084) 7.004 25.160 ( -3.352 -3.901 0.763) 5.200 ======================= Grid point 124 (28/50) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 5.446 3.498 -0.051) 6.472 2.147 ( 2.063 0.202 0.626) 2.165 2.215 ( -3.036 0.016 -0.471) 3.072 2.345 ( -4.121 7.164 -2.770) 8.716 2.432 ( 7.063 4.643 1.986) 8.683 2.633 ( -0.340 2.927 -0.499) 2.988 2.664 ( 3.707 5.861 -0.070) 6.935 2.767 ( -0.150 0.956 -1.828) 2.068 2.789 ( 0.068 2.196 0.133) 2.201 2.944 ( -4.774 -3.483 -0.624) 5.942 2.976 ( -1.554 -1.739 -1.453) 2.748 3.051 ( -2.998 -5.339 -2.386) 6.572 3.125 ( -4.442 -2.603 0.753) 5.203 3.169 ( -8.753 -2.374 0.478) 9.081 3.339 ( 4.152 -6.770 8.534) 11.658 3.465 ( 1.897 0.300 3.139) 3.680 3.785 ( 9.130 3.135 -3.247) 10.185 3.936 ( 6.278 -1.745 -4.036) 7.665 4.099 ( 2.234 -8.001 -0.472) 8.321 4.156 ( -1.997 0.672 -0.526) 2.172 4.275 ( 1.658 5.588 1.733) 6.081 4.522 ( -1.019 6.915 2.243) 7.341 4.676 ( -0.068 10.118 2.520) 10.427 4.730 ( -3.210 4.682 1.247) 5.812 4.846 ( -4.830 9.524 -1.238) 10.750 4.884 ( 0.864 3.388 -2.781) 4.468 5.294 ( 4.390 1.793 0.021) 4.742 5.554 ( 2.922 -1.444 0.816) 3.360 5.640 ( 2.385 5.287 -1.854) 6.089 6.020 ( -2.385 4.448 5.809) 7.695 6.083 ( 5.300 8.653 0.994) 10.196 6.454 ( -2.626 0.371 -3.208) 4.162 6.943 ( -3.971 10.683 -1.406) 11.483 7.125 ( -5.419 9.045 -7.715) 13.066 7.348 ( 9.369 4.212 8.768) 13.505 7.577 ( 0.677 6.600 -5.579) 8.668 7.781 ( -3.668 1.837 0.995) 4.221 7.857 ( 2.217 4.451 -1.218) 5.120 8.211 ( 9.939 -14.449 6.561) 18.725 8.452 ( 5.946 1.935 -7.143) 9.493 8.633 ( -5.713 3.501 7.743) 10.240 9.159 ( -12.170 17.503 10.457) 23.745 9.443 ( 13.066 -0.641 -6.259) 14.502 9.501 ( 4.036 2.347 -10.214) 11.231 9.647 ( -4.505 -7.729 -14.339) 16.901 9.814 ( 13.467 8.422 6.945) 17.336 10.190 ( 10.663 3.214 0.823) 11.167 10.375 ( -10.933 -12.485 1.039) 16.628 10.508 ( 7.637 0.754 2.346) 8.024 10.530 ( 11.211 2.665 8.101) 14.086 11.076 ( -17.810 -19.752 -0.088) 26.595 11.583 ( -2.616 0.969 -2.898) 4.023 11.678 ( 0.078 1.149 2.339) 2.607 11.762 ( -4.062 -2.994 -2.874) 5.807 12.635 ( -1.752 1.887 2.384) 3.509 12.733 ( 1.926 0.147 -2.304) 3.007 13.192 ( 2.832 0.573 0.270) 2.902 14.404 ( -6.845 -1.087 1.496) 7.091 14.937 ( 2.546 -6.812 -1.050) 7.348 14.983 ( -3.432 -4.545 -0.309) 5.704 16.773 ( -0.079 -0.005 -1.218) 1.220 17.001 ( 3.482 -5.887 1.023) 6.916 18.199 ( -0.152 5.724 -1.651) 5.959 18.400 ( -3.959 1.008 1.723) 4.434 20.607 ( 0.386 -1.260 0.323) 1.357 20.731 ( 2.946 -4.649 -0.474) 5.525 22.194 ( 3.464 14.961 -1.070) 15.394 22.938 ( -1.891 3.235 0.857) 3.844 23.202 ( -0.175 -2.651 -0.423) 2.690 23.531 ( 0.369 -4.239 -0.150) 4.258 25.007 ( -1.102 -2.956 0.749) 3.242 25.086 ( -1.535 -2.014 -0.434) 2.569 ======================= Grid point 125 (29/50) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -5.903 -4.230 0.075) 7.263 2.117 ( -3.373 -1.976 0.470) 3.937 2.207 ( -0.246 2.368 -0.397) 2.414 2.276 ( -8.899 6.627 -2.153) 11.302 2.511 ( -0.350 3.326 2.838) 4.386 2.608 ( -8.965 -2.905 -0.997) 9.477 2.651 ( -1.916 0.349 -0.789) 2.101 2.751 ( -4.819 -4.379 -1.803) 6.757 2.831 ( 0.583 3.494 -1.165) 3.729 2.887 ( 4.599 -1.403 -0.320) 4.819 2.976 ( 1.197 0.144 -1.214) 1.711 3.008 ( 1.600 -0.508 0.107) 1.682 3.122 ( 3.723 4.719 1.040) 6.100 3.175 ( 8.502 7.020 -0.254) 11.029 3.418 ( 9.443 -4.291 7.849) 13.007 3.577 ( 8.331 0.906 4.314) 9.425 3.839 ( -3.220 -4.982 -8.137) 10.069 3.919 ( 1.886 -8.282 -2.439) 8.837 4.067 ( -4.096 -3.072 1.067) 5.230 4.124 ( 0.535 1.206 -0.991) 1.650 4.326 ( -0.588 -1.163 1.783) 2.209 4.496 ( -9.430 3.068 2.422) 10.208 4.611 ( -10.926 3.361 1.924) 11.592 4.691 ( -9.785 5.403 2.929) 11.555 4.839 ( -3.402 4.802 -3.944) 7.085 4.885 ( -3.935 6.784 -1.581) 8.001 5.347 ( -0.576 -1.976 0.258) 2.074 5.581 ( 4.260 -2.777 1.872) 5.419 5.706 ( -1.994 4.235 -6.074) 7.668 5.872 ( -13.685 -3.043 7.792) 16.039 6.027 ( -12.258 -2.334 0.577) 12.492 6.549 ( 3.581 9.373 -0.961) 10.079 6.911 ( -6.370 1.417 -1.909) 6.799 7.070 ( -15.540 15.222 -4.089) 22.135 7.441 ( 4.450 -6.023 1.171) 7.579 7.665 ( 0.900 -1.541 0.131) 1.789 7.760 ( -2.072 7.437 -2.611) 8.150 7.902 ( 0.076 2.274 1.564) 2.761 8.181 ( 3.885 -15.028 6.027) 16.651 8.398 ( -8.971 -7.149 -8.705) 14.400 8.568 ( -6.527 5.175 7.135) 10.968 9.020 ( -19.124 14.375 9.148) 25.613 9.444 ( -3.710 -7.791 -5.300) 10.127 9.517 ( 0.288 -3.574 -9.713) 10.353 9.734 ( 8.086 0.310 -9.759) 12.677 10.008 ( -4.162 -6.262 4.160) 8.593 10.215 ( 2.152 -0.459 -1.429) 2.623 10.285 ( 4.885 3.264 0.303) 5.883 10.476 ( 5.804 -0.496 12.805) 14.068 10.489 ( -19.338 -18.801 0.339) 26.973 11.088 ( 25.487 5.956 0.004) 26.173 11.566 ( -1.359 2.109 -1.752) 3.060 11.709 ( 1.202 -0.012 -0.841) 1.467 11.737 ( 3.215 2.852 -0.794) 4.370 12.611 ( -2.584 1.140 1.376) 3.142 12.755 ( 0.577 -0.287 -1.371) 1.515 13.191 ( -1.996 -2.234 0.269) 3.008 14.410 ( 4.811 5.648 1.491) 7.567 14.927 ( 4.304 -5.679 -0.912) 7.184 14.991 ( 5.993 0.584 -0.450) 6.038 16.786 ( 1.005 0.745 -1.336) 1.830 16.991 ( 2.577 -6.624 1.143) 7.199 18.233 ( -1.396 3.641 -2.383) 4.570 18.374 ( -1.562 3.475 2.452) 4.531 20.601 ( 0.541 -1.430 0.285) 1.555 20.738 ( 2.962 -4.265 -0.434) 5.211 22.211 ( -12.951 4.620 -1.103) 13.795 22.953 ( -0.755 3.912 0.961) 4.098 23.190 ( 0.922 -1.659 -0.485) 1.959 23.504 ( 1.362 -3.043 -0.156) 3.337 25.020 ( 4.163 -0.224 0.967) 4.279 25.077 ( 1.785 0.087 -0.655) 1.904 ======================= Grid point 126 (30/50) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -14.799 -4.449 1.502) 15.526 1.945 ( -14.906 -1.831 1.128) 15.060 2.145 ( -9.983 -1.596 -1.363) 10.201 2.222 ( -4.717 5.153 3.442) 7.788 2.435 ( -4.508 -0.807 -3.796) 5.948 2.464 ( -7.394 -5.227 -8.018) 12.095 2.646 ( 0.871 3.544 4.815) 6.042 2.655 ( 4.176 -1.680 2.950) 5.382 2.917 ( 2.684 5.389 -1.082) 6.116 2.961 ( 1.244 0.369 1.731) 2.163 3.023 ( 8.958 -1.448 0.154) 9.076 3.159 ( 8.193 2.049 0.264) 8.450 3.253 ( 5.563 3.262 0.988) 6.525 3.404 ( 8.338 6.945 -0.370) 10.857 3.558 ( 8.866 -3.354 4.516) 10.500 3.658 ( -13.825 -8.537 0.465) 16.255 3.689 ( -0.035 -1.067 -0.981) 1.450 3.739 ( -0.874 -7.815 -0.406) 7.874 3.999 ( -11.099 2.297 1.270) 11.406 4.102 ( -3.515 -4.260 -2.258) 5.967 4.181 ( -9.252 -4.058 -2.948) 10.525 4.311 ( -8.090 3.184 0.375) 8.702 4.448 ( -11.051 1.765 0.732) 11.214 4.589 ( -4.968 4.178 -1.780) 6.731 4.780 ( -8.381 1.857 -4.826) 9.848 4.916 ( 0.026 3.179 1.304) 3.436 5.244 ( -5.642 -6.553 3.683) 9.399 5.484 ( -17.255 -6.021 1.772) 18.361 5.566 ( -5.991 -4.781 1.951) 7.909 5.687 ( -13.573 0.965 -0.166) 13.609 5.780 ( -6.414 0.583 -1.685) 6.657 6.626 ( -9.527 11.866 1.762) 15.319 6.744 ( -12.436 -1.683 1.331) 12.620 6.938 ( -11.722 9.521 -1.413) 15.167 7.388 ( -1.183 -10.727 -3.991) 11.506 7.583 ( -6.454 -4.884 -3.891) 8.981 7.751 ( -4.670 2.072 -5.362) 7.407 7.929 ( 0.439 -0.523 3.099) 3.173 8.065 ( -4.727 -8.313 3.996) 10.364 8.119 ( -9.122 -9.086 -3.437) 13.326 8.498 ( -7.613 5.414 1.984) 9.550 8.816 ( -19.973 12.399 5.899) 24.237 9.201 ( -8.269 -12.154 4.179) 15.283 9.468 ( -4.757 -6.790 6.563) 10.574 9.728 ( -4.614 -6.336 -15.281) 17.174 9.836 ( -19.804 -12.344 -1.689) 23.397 10.029 ( 3.693 -0.892 -3.487) 5.156 10.066 ( -9.203 -0.555 -2.671) 9.599 10.651 ( 14.500 3.279 5.056) 15.702 10.673 ( 14.795 4.916 5.740) 16.613 11.535 ( 20.278 2.994 -0.202) 20.499 11.577 ( 0.200 2.358 -0.498) 2.418 11.759 ( 4.534 -0.017 -2.663) 5.258 11.867 ( 6.210 4.624 0.776) 7.782 12.570 ( -3.252 0.783 0.705) 3.418 12.748 ( -1.093 -0.217 0.351) 1.169 13.085 ( -6.370 -3.851 0.171) 7.446 14.661 ( 14.404 9.498 0.904) 17.278 14.991 ( 7.722 -3.164 -0.220) 8.348 15.172 ( 13.320 2.075 -1.007) 13.518 16.821 ( 1.557 1.660 -0.887) 2.443 16.961 ( 1.505 -6.170 0.801) 6.401 18.209 ( -4.350 0.226 -4.770) 6.460 18.420 ( 2.189 5.038 4.103) 6.857 20.599 ( 0.512 -0.564 0.139) 0.775 20.745 ( 2.833 -4.443 -0.405) 5.285 21.893 ( -23.375 -1.864 -1.551) 23.501 22.960 ( -2.904 2.224 1.278) 3.875 23.169 ( -2.229 -0.937 0.447) 2.459 23.541 ( 4.913 -0.303 -1.560) 5.163 25.121 ( 5.902 1.404 -0.424) 6.081 25.151 ( 6.056 1.146 1.092) 6.260 ======================= Grid point 127 (31/50) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -20.020 0.244 7.264) 21.299 1.580 ( -25.424 1.285 2.105) 25.543 1.892 ( -12.016 -6.728 -6.767) 15.344 2.192 ( -3.938 -2.903 1.318) 5.067 2.251 ( -5.449 -2.700 -7.788) 9.881 2.446 ( -1.830 3.402 -1.952) 4.329 2.711 ( 1.462 2.054 4.707) 5.340 2.757 ( 6.371 -2.034 3.587) 7.589 2.915 ( -12.158 -6.666 4.854) 14.691 3.020 ( -1.150 6.852 2.307) 7.321 3.097 ( -1.375 -2.639 2.209) 3.707 3.181 ( 1.585 -3.383 1.979) 4.228 3.257 ( -0.824 -1.254 1.781) 2.329 3.441 ( 3.001 1.422 -2.838) 4.368 3.562 ( -10.932 -2.525 -2.098) 11.415 3.605 ( -0.123 -1.619 -0.259) 1.644 3.635 ( -6.397 2.398 -0.223) 6.835 3.684 ( 2.585 -2.295 -1.176) 3.651 3.813 ( -5.114 5.016 0.814) 7.209 3.880 ( -3.409 -3.509 -4.535) 6.671 4.110 ( -2.010 -1.053 -7.114) 7.467 4.256 ( -5.975 1.088 1.773) 6.326 4.338 ( -4.237 1.540 0.150) 4.510 4.512 ( -8.357 -2.181 -0.957) 8.690 4.629 ( -4.541 -0.654 -3.032) 5.499 4.914 ( -3.973 1.468 1.917) 4.649 5.056 ( -8.781 -7.703 4.534) 12.530 5.145 ( -14.067 -2.449 8.447) 16.590 5.282 ( -18.244 2.211 -3.038) 18.627 5.468 ( -11.026 -5.576 0.281) 12.359 5.728 ( -4.074 2.612 -4.043) 6.306 6.431 ( -22.242 7.241 0.309) 23.393 6.496 ( -13.202 0.561 3.757) 13.737 6.882 ( -0.590 -1.948 4.493) 4.933 7.203 ( -8.694 -7.123 -10.740) 15.546 7.342 ( -14.050 -3.613 -8.709) 16.921 7.699 ( -4.111 -1.670 -0.377) 4.453 7.749 ( -14.823 -4.960 5.731) 16.649 7.944 ( -1.878 -3.101 -2.840) 4.606 7.986 ( -1.005 -2.578 0.260) 2.779 8.407 ( -8.862 4.299 -3.331) 10.397 8.566 ( -18.348 5.347 0.139) 19.111 9.022 ( -8.576 -6.275 7.660) 13.100 9.133 ( -14.314 -10.563 1.972) 17.899 9.421 ( -7.413 -1.864 15.715) 17.475 9.595 ( -21.630 -1.972 -6.349) 22.628 9.950 ( 4.920 -1.906 -16.189) 17.027 10.180 ( 6.849 1.722 -9.229) 11.621 10.893 ( 12.263 0.695 4.508) 13.084 10.980 ( 13.092 4.467 3.563) 14.285 11.621 ( 2.546 1.709 2.012) 3.667 11.847 ( 13.786 0.580 -0.442) 13.806 11.853 ( 6.456 -0.255 -2.500) 6.928 12.016 ( 5.759 3.473 0.663) 6.757 12.519 ( -3.391 0.910 0.856) 3.614 12.718 ( -1.900 -0.065 1.944) 2.719 12.910 ( -9.156 -3.306 0.028) 9.735 15.045 ( 17.429 8.064 -0.491) 19.211 15.112 ( 8.542 -0.727 -0.185) 8.575 15.491 ( 22.135 0.294 -0.142) 22.137 16.868 ( 1.436 2.128 0.251) 2.579 16.925 ( 0.524 -4.190 -0.163) 4.226 18.054 ( -12.166 -4.601 -8.976) 15.803 18.559 ( 7.876 5.964 7.067) 12.147 20.609 ( 0.239 1.213 0.068) 1.239 20.744 ( 2.386 -4.891 -0.649) 5.481 21.428 ( -25.955 -2.792 -1.965) 26.179 22.894 ( -5.933 1.036 2.289) 6.444 23.083 ( -7.810 -0.316 -2.378) 8.170 23.652 ( 7.010 0.965 -1.304) 7.196 25.238 ( 5.846 1.486 0.743) 6.078 25.284 ( 7.300 0.687 0.526) 7.351 ======================= Grid point 132 (32/50) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 9.248 10.543 5.536) 15.077 1.938 ( 6.774 10.699 0.569) 12.676 2.134 ( 9.084 13.968 -2.674) 16.876 2.269 ( 1.598 11.333 -2.652) 11.748 2.340 ( 3.758 6.192 -5.187) 8.909 2.456 ( -0.573 -0.366 -3.342) 3.410 2.648 ( -1.477 -3.526 4.126) 5.625 2.755 ( 5.214 -2.448 5.826) 8.193 2.931 ( -2.012 -0.570 1.603) 2.634 2.993 ( -4.378 -6.295 0.807) 7.710 3.014 ( -0.479 -4.522 0.372) 4.563 3.178 ( -2.215 -4.669 1.209) 5.308 3.270 ( -3.882 -3.810 0.624) 5.475 3.460 ( -5.638 -2.964 1.979) 6.670 3.493 ( 3.218 8.127 3.526) 9.425 3.559 ( -8.398 0.880 -3.350) 9.084 3.603 ( 0.181 -5.156 0.611) 5.195 3.676 ( -2.486 -2.475 -1.606) 3.858 3.991 ( 3.855 14.454 0.399) 14.965 4.102 ( 10.564 3.087 -2.650) 11.320 4.158 ( 2.749 3.393 -4.151) 6.025 4.435 ( 10.147 4.024 -1.052) 10.966 4.453 ( 3.636 10.026 2.122) 10.874 4.653 ( 4.624 7.402 -0.760) 8.761 4.735 ( 2.764 11.957 -6.195) 13.747 5.044 ( 9.546 0.300 3.022) 10.018 5.070 ( -5.073 9.388 2.999) 11.084 5.431 ( 7.552 14.551 3.451) 16.754 5.509 ( 1.627 3.685 -0.159) 4.032 5.711 ( 11.795 17.555 1.682) 21.216 5.838 ( 6.394 1.435 -6.051) 8.920 6.691 ( -2.411 5.463 2.999) 6.682 6.839 ( 12.514 7.112 8.392) 16.662 7.013 ( 7.200 21.554 2.015) 22.813 7.253 ( -1.778 7.075 -9.721) 12.154 7.540 ( 7.724 7.195 -5.841) 12.064 7.735 ( -0.311 5.224 -3.854) 6.499 7.887 ( 0.186 -1.292 6.225) 6.360 7.931 ( -0.828 8.865 -0.724) 8.933 8.119 ( 9.711 5.252 -3.273) 11.515 8.671 ( 16.244 4.443 -4.628) 17.464 8.843 ( -2.878 14.522 6.320) 16.097 9.143 ( 11.817 4.891 7.132) 14.644 9.409 ( 13.838 13.510 0.812) 19.357 9.538 ( -3.218 16.274 9.451) 19.092 9.711 ( -4.196 -2.330 -15.706) 16.423 9.978 ( -1.436 3.365 -4.668) 5.930 10.093 ( 3.045 2.847 -4.011) 5.784 10.682 ( -6.175 -11.114 6.360) 14.216 10.746 ( -6.709 -15.707 3.938) 17.528 11.550 ( -10.059 -15.921 -0.740) 18.847 11.628 ( 1.428 -1.837 0.133) 2.331 11.738 ( -4.245 -3.568 -2.270) 5.992 11.926 ( -2.876 -6.348 -0.004) 6.969 12.595 ( 3.162 2.226 -0.613) 3.915 12.736 ( -0.853 1.624 2.411) 3.030 13.039 ( 3.764 6.122 -0.208) 7.189 14.804 ( -8.613 -12.584 0.418) 15.255 14.914 ( -4.739 -10.689 -0.363) 11.698 15.190 ( -6.849 -10.758 0.005) 12.753 16.835 ( -3.518 0.111 1.017) 3.664 16.890 ( 1.390 -3.555 -0.948) 3.933 18.186 ( 1.438 7.818 -3.979) 8.890 18.502 ( -0.147 -4.280 2.613) 5.016 20.611 ( 0.681 -1.764 0.715) 2.021 20.667 ( -2.631 -1.209 -1.175) 3.125 21.872 ( 12.371 23.454 -0.915) 26.532 22.982 ( 1.336 3.640 1.728) 4.245 23.176 ( 2.298 0.528 -0.360) 2.385 23.543 ( -2.314 -5.721 -1.761) 6.418 25.131 ( -4.220 -6.234 0.061) 7.529 25.166 ( -2.606 -5.184 0.668) 5.841 ======================= Grid point 133 (33/50) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.769 4.144 1.082) 6.410 2.104 ( 4.444 3.949 2.249) 6.356 2.253 ( -0.571 0.579 -0.629) 1.028 2.408 ( 1.919 9.125 -3.370) 9.915 2.478 ( -1.379 8.354 -2.161) 8.739 2.603 ( 10.848 9.700 -1.757) 14.658 2.668 ( 3.023 3.220 1.515) 4.669 2.790 ( 0.691 0.303 2.560) 2.669 2.840 ( -5.374 -1.847 -1.037) 5.776 2.911 ( -1.123 -3.023 0.184) 3.230 2.993 ( 3.828 -4.953 2.594) 6.776 3.062 ( -2.799 -7.592 -0.749) 8.127 3.119 ( -6.120 -2.798 4.692) 8.203 3.253 ( -7.254 -6.037 0.877) 9.478 3.392 ( -11.698 -0.364 -0.326) 11.708 3.458 ( -3.533 -3.697 -3.177) 6.020 3.602 ( 8.357 -8.062 -1.506) 11.709 3.866 ( 7.750 12.931 0.681) 15.091 3.984 ( -2.010 -11.908 -0.368) 12.082 4.194 ( -0.384 2.190 -0.823) 2.371 4.284 ( 4.009 4.174 0.116) 5.789 4.614 ( 1.601 12.045 1.491) 12.242 4.725 ( 8.958 10.872 1.620) 14.180 4.794 ( 2.937 8.268 -1.325) 8.874 4.907 ( 2.428 6.594 -5.228) 8.758 5.076 ( -6.586 14.367 3.289) 16.143 5.219 ( 7.630 2.481 4.096) 9.009 5.508 ( -0.769 -3.711 0.864) 3.887 5.660 ( 4.051 10.641 -3.167) 11.818 5.985 ( 8.914 1.208 -5.741) 10.671 6.074 ( 8.919 13.124 2.924) 16.135 6.574 ( -10.038 0.699 1.068) 10.119 7.000 ( -0.631 0.696 2.094) 2.295 7.218 ( 6.799 2.993 7.537) 10.583 7.459 ( 1.967 23.970 -1.709) 24.111 7.691 ( -4.788 11.167 -0.959) 12.187 7.815 ( 1.750 -0.582 -1.054) 2.124 7.864 ( 5.899 0.633 1.361) 6.087 8.000 ( -0.574 5.212 -2.910) 5.996 8.347 ( 9.392 3.492 -7.147) 12.308 8.836 ( -9.246 10.327 6.439) 15.284 9.046 ( 22.534 1.446 -3.280) 22.818 9.387 ( 5.846 -1.988 -2.278) 6.582 9.543 ( 0.213 3.127 -8.248) 8.823 9.680 ( -6.538 14.207 4.495) 16.272 9.785 ( 0.795 1.164 -3.429) 3.707 9.926 ( 15.880 5.424 0.065) 16.781 10.331 ( 10.733 8.251 2.358) 13.742 10.402 ( -8.823 -17.049 3.825) 19.574 10.517 ( -4.933 -9.649 6.417) 12.594 11.141 ( -14.481 -21.857 -0.365) 26.221 11.639 ( -2.284 0.663 -3.962) 4.621 11.673 ( 1.062 -0.310 1.309) 1.714 11.803 ( -4.339 -4.622 -1.408) 6.494 12.661 ( 1.853 1.557 -0.352) 2.446 12.726 ( -1.294 0.973 1.360) 2.114 13.147 ( 3.330 2.364 -0.091) 4.085 14.545 ( -10.334 -2.691 0.940) 10.720 14.788 ( 2.597 -11.375 -0.535) 11.680 15.004 ( -4.766 -6.471 0.207) 8.039 16.785 ( -1.755 -0.034 -0.147) 1.761 16.881 ( 2.635 -5.474 0.191) 6.078 18.266 ( 0.060 5.826 -1.500) 6.016 18.463 ( -1.824 -0.006 0.906) 2.036 20.594 ( -0.561 -1.376 0.776) 1.677 20.636 ( 1.644 -3.568 -0.975) 4.048 22.283 ( 8.206 20.600 0.043) 22.174 23.008 ( -1.875 2.357 2.191) 3.724 23.178 ( -0.223 -2.028 -1.531) 2.551 23.467 ( 0.168 -5.974 -1.316) 6.119 25.002 ( -3.040 -5.067 1.204) 6.030 25.089 ( -1.623 -3.023 -0.918) 3.552 ======================= Grid point 134 (34/50) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.838 -1.582 0.234) 1.805 2.163 ( -1.857 0.981 0.936) 2.300 2.229 ( -0.310 1.100 0.002) 1.142 2.500 ( -6.351 8.764 -1.826) 10.976 2.544 ( 2.881 5.953 0.481) 6.631 2.690 ( -3.083 1.922 0.608) 3.684 2.708 ( -4.223 -1.565 -2.493) 5.147 2.767 ( 0.903 0.131 -1.587) 1.831 2.821 ( -3.792 -5.703 -0.102) 6.850 2.902 ( 5.547 1.023 -0.164) 5.643 2.930 ( -4.949 3.217 -0.374) 5.914 3.034 ( 1.106 -1.462 0.702) 1.963 3.117 ( 3.344 -1.199 5.562) 6.600 3.174 ( -2.249 7.505 -0.143) 7.836 3.213 ( 1.735 -4.195 2.651) 5.257 3.444 ( 4.757 -2.864 -2.200) 5.972 3.704 ( 12.100 -5.922 -1.146) 13.520 3.792 ( -2.189 -14.688 -2.816) 15.115 4.065 ( 2.826 2.543 0.287) 3.813 4.176 ( -3.638 3.080 0.732) 4.822 4.336 ( -0.040 0.089 -0.408) 0.420 4.688 ( -5.632 8.742 1.206) 10.468 4.837 ( -5.244 6.249 2.095) 8.423 4.902 ( -2.317 7.036 -1.061) 7.483 4.911 ( -5.903 4.040 -0.783) 7.196 5.118 ( -7.504 12.783 2.751) 15.075 5.326 ( 2.077 1.059 -0.107) 2.334 5.468 ( 3.585 -4.943 3.829) 7.208 5.784 ( -0.191 8.060 -6.819) 10.560 6.047 ( -8.828 -4.024 1.800) 9.867 6.164 ( -1.163 0.516 -2.334) 2.658 6.543 ( 2.918 7.687 -1.687) 8.394 6.975 ( -1.572 1.630 1.360) 2.642 7.302 ( 3.040 -5.171 10.095) 11.742 7.630 ( -0.477 0.064 3.941) 3.970 7.667 ( -15.163 26.459 -3.570) 30.704 7.776 ( 1.062 -3.483 6.944) 7.841 7.986 ( -5.551 6.157 -5.307) 9.843 8.048 ( 4.606 3.599 -3.893) 7.023 8.433 ( -1.325 -3.357 -8.436) 9.176 8.779 ( -8.340 9.891 4.110) 13.575 9.318 ( 1.172 -7.120 -7.757) 10.594 9.370 ( 3.099 -1.431 0.691) 3.483 9.509 ( -0.886 -4.307 -18.566) 19.080 9.666 ( -5.173 12.216 6.702) 14.862 9.977 ( 11.591 7.661 9.899) 17.059 10.073 ( -4.786 -11.492 0.442) 12.456 10.290 ( 8.484 1.419 2.558) 8.974 10.362 ( -0.718 -7.443 8.051) 10.988 10.600 ( -7.463 -11.603 -2.801) 14.078 10.709 ( 12.754 -5.611 1.792) 14.049 11.618 ( -1.558 2.507 -2.111) 3.629 11.705 ( -1.171 -1.297 -0.183) 1.757 11.714 ( 1.435 0.425 -2.302) 2.746 12.669 ( -2.202 1.332 0.796) 2.694 12.735 ( 1.365 0.073 -0.103) 1.371 13.189 ( 0.278 -0.552 -0.008) 0.618 14.439 ( -2.155 4.268 1.133) 4.914 14.756 ( 5.011 -9.438 -0.765) 10.713 14.923 ( 1.580 -2.368 0.422) 2.878 16.777 ( 0.546 0.454 -0.729) 1.017 16.870 ( 2.752 -6.112 0.779) 6.748 18.304 ( -1.529 4.028 -0.896) 4.401 18.441 ( -1.995 2.444 0.626) 3.217 20.577 ( 0.253 -1.285 0.530) 1.413 20.639 ( 2.837 -3.927 -0.638) 4.887 22.485 ( -7.218 13.092 0.439) 14.956 22.990 ( 0.683 -0.445 3.126) 3.230 23.164 ( -0.463 0.929 -3.271) 3.432 23.427 ( 2.250 -5.755 -0.669) 6.216 24.951 ( 1.766 -2.427 1.821) 3.511 25.055 ( 0.288 -0.966 -1.749) 2.019 ======================= Grid point 136 (35/50) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -7.243 -1.540 1.296) 7.517 2.090 ( -5.626 -0.485 1.429) 5.825 2.247 ( -1.044 1.324 -0.614) 1.794 2.449 ( -9.334 8.846 -1.460) 12.942 2.520 ( -7.490 -5.694 -6.706) 11.554 2.570 ( -9.708 -2.247 -0.968) 10.011 2.638 ( -3.773 1.598 3.790) 5.582 2.710 ( -2.832 3.321 3.065) 5.334 2.844 ( 7.771 0.283 -1.540) 7.928 2.934 ( -1.224 0.420 0.651) 1.448 2.958 ( 0.782 -0.240 2.735) 2.855 3.021 ( 8.073 1.598 -0.651) 8.256 3.187 ( 4.440 -0.205 2.854) 5.282 3.295 ( 10.841 -0.362 2.608) 11.156 3.384 ( 8.192 7.384 0.317) 11.034 3.527 ( 8.381 -4.904 -4.563) 10.729 3.634 ( 0.697 -12.836 -2.370) 13.071 3.855 ( -2.993 0.981 1.832) 3.644 3.989 ( 1.669 -4.092 -0.054) 4.420 4.186 ( -1.846 3.321 -1.071) 3.948 4.272 ( -7.059 -2.213 -0.069) 7.398 4.595 ( -13.431 6.249 0.095) 14.814 4.680 ( -14.340 1.373 3.222) 14.762 4.796 ( -10.452 3.168 -1.586) 11.036 4.891 ( -4.756 1.900 -3.003) 5.937 5.073 ( -8.082 9.026 1.241) 12.179 5.280 ( -5.705 -5.737 4.151) 9.093 5.514 ( 3.670 -2.730 1.671) 4.870 5.732 ( -15.189 -4.785 -4.184) 16.465 5.838 ( -2.650 5.326 -5.541) 8.130 6.037 ( -15.882 2.121 3.898) 16.490 6.687 ( 5.707 0.853 -1.059) 5.867 6.949 ( -6.693 5.015 4.501) 9.498 7.248 ( -1.235 -7.152 5.180) 8.917 7.481 ( -20.092 10.037 -1.521) 22.511 7.649 ( -6.972 5.204 -2.790) 9.136 7.817 ( 6.335 -2.878 8.689) 11.132 7.879 ( -8.304 -1.166 -2.813) 8.845 8.093 ( -3.822 0.465 -6.964) 7.957 8.266 ( -10.590 -2.771 -5.243) 12.137 8.733 ( -9.221 10.902 1.319) 14.340 9.164 ( -7.632 -17.425 1.831) 19.111 9.254 ( -11.202 7.901 1.695) 13.812 9.489 ( -0.954 2.175 -6.129) 6.573 9.717 ( -3.368 -0.979 -7.824) 8.574 9.902 ( 3.364 -3.460 -2.934) 5.648 10.054 ( -18.860 -18.681 5.152) 27.041 10.240 ( -5.336 3.189 2.646) 6.756 10.382 ( 15.553 1.405 1.984) 15.742 10.493 ( 10.573 1.621 7.872) 13.281 11.150 ( 25.897 0.833 -0.282) 25.912 11.619 ( -1.586 2.861 -1.484) 3.592 11.690 ( 2.144 -1.576 -2.307) 3.522 11.799 ( 5.489 2.075 -0.258) 5.874 12.636 ( -2.920 1.243 -0.156) 3.177 12.751 ( 0.407 -0.394 1.128) 1.262 13.145 ( -3.806 -1.623 -0.100) 4.139 14.553 ( 7.817 7.469 0.972) 10.855 14.778 ( 8.242 -7.664 -0.557) 11.269 15.008 ( 8.196 0.531 0.189) 8.216 16.810 ( 1.679 1.737 -0.301) 2.434 16.858 ( 2.718 -5.333 0.347) 5.995 18.287 ( -3.634 1.041 -1.756) 4.168 18.448 ( -0.172 2.937 1.161) 3.163 20.581 ( 1.026 -0.006 0.418) 1.108 20.652 ( 2.814 -3.539 -0.616) 4.564 22.291 ( -21.365 2.418 0.041) 21.501 23.021 ( -0.336 1.717 2.440) 3.002 23.170 ( 0.503 0.028 -1.687) 1.761 23.448 ( 4.681 -1.624 -1.406) 5.150 25.010 ( 6.316 -0.594 1.405) 6.497 25.083 ( 3.137 0.401 -1.121) 3.356 ======================= Grid point 144 (36/50) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 0.279 0.383 0.300) 0.561 2.177 ( 2.402 3.406 1.167) 4.328 2.241 ( -1.029 -1.517 -0.043) 1.834 2.579 ( -0.298 7.772 -3.066) 8.360 2.631 ( 2.448 4.013 -1.171) 4.844 2.673 ( 3.647 -0.270 0.133) 3.659 2.733 ( -3.489 -2.293 -1.813) 4.552 2.769 ( 7.158 2.181 1.134) 7.568 2.794 ( 2.035 -0.919 2.708) 3.510 2.884 ( -3.913 -2.321 0.800) 4.620 2.968 ( -2.031 -0.691 5.244) 5.666 3.023 ( 5.323 1.623 -0.885) 5.635 3.053 ( -5.886 1.253 1.339) 6.165 3.197 ( 0.397 -0.848 0.513) 1.068 3.338 ( -4.771 -5.151 -5.180) 8.725 3.431 ( 10.519 -4.014 -0.124) 11.260 3.483 ( -11.468 6.090 -2.218) 13.173 3.683 ( -5.162 -15.803 0.736) 16.641 4.066 ( 1.828 5.002 -0.825) 5.389 4.243 ( 1.735 2.933 0.476) 3.441 4.317 ( -0.141 -0.840 -0.159) 0.866 4.813 ( 3.454 6.025 0.028) 6.945 4.880 ( 2.313 1.850 -0.504) 3.004 4.929 ( 3.155 6.681 1.907) 7.631 5.029 ( 3.377 5.048 -2.527) 6.578 5.269 ( 4.996 3.738 0.844) 6.297 5.322 ( -0.983 4.420 7.672) 8.909 5.406 ( -2.693 -4.166 4.904) 6.975 5.897 ( -1.124 13.248 -6.591) 14.839 5.975 ( 11.181 -1.839 -8.333) 14.066 6.163 ( -3.978 -4.756 -4.190) 7.483 6.619 ( -0.224 3.361 2.787) 4.372 7.040 ( 0.622 3.192 6.715) 7.461 7.178 ( -1.453 -5.186 10.276) 11.601 7.634 ( 1.297 2.384 5.369) 6.016 7.703 ( -1.695 -3.750 7.492) 8.548 7.972 ( 6.639 5.846 -8.021) 11.941 8.049 ( 0.862 8.337 -7.731) 11.403 8.168 ( 3.373 8.930 -0.944) 9.592 8.401 ( 3.445 2.801 -6.986) 8.277 8.981 ( 6.986 2.122 0.377) 7.311 9.091 ( -3.523 3.707 -1.482) 5.325 9.355 ( 1.252 1.418 -11.426) 11.582 9.475 ( -3.009 -6.010 -15.667) 17.048 9.856 ( 5.047 1.722 7.960) 9.581 9.919 ( 1.776 10.157 6.895) 12.404 10.107 ( 0.548 -9.519 5.608) 11.062 10.157 ( -6.828 9.381 10.618) 15.728 10.310 ( 1.285 -2.199 6.489) 6.971 10.450 ( 5.293 1.017 -5.806) 7.922 10.693 ( -13.569 -20.572 -0.577) 24.651 11.663 ( -1.053 1.681 -1.038) 2.239 11.674 ( 2.706 0.114 -2.136) 3.449 11.724 ( -2.293 -3.075 -1.903) 4.282 12.690 ( 1.607 1.487 0.094) 2.192 12.729 ( -1.200 -0.790 1.083) 1.799 13.181 ( 0.591 0.999 -0.152) 1.171 14.529 ( -0.229 0.239 0.714) 0.787 14.617 ( -2.278 -4.650 -0.040) 5.179 14.895 ( -2.148 -3.616 0.317) 4.218 16.788 ( -1.980 0.162 0.085) 1.988 16.798 ( 0.704 -2.359 0.101) 2.464 18.343 ( 0.842 1.813 -0.297) 2.021 18.472 ( 0.432 0.495 -0.113) 0.667 20.570 ( 0.178 -0.593 0.353) 0.713 20.589 ( -1.316 -1.330 -0.336) 1.901 22.646 ( 8.370 14.699 1.247) 16.961 22.944 ( -4.569 -7.946 2.746) 9.569 23.211 ( 2.095 4.334 -2.682) 5.511 23.348 ( -2.529 -5.369 -1.589) 6.144 24.923 ( -1.459 -2.349 2.198) 3.533 25.047 ( -0.526 -1.045 -2.255) 2.540 ======================= Grid point 218 (37/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 -0.000 0.000) 0.000 0.992 ( 0.000 0.000 0.000) 0.000 1.264 ( 0.000 -0.000 -0.000) 0.000 1.264 ( 0.000 0.000 -0.000) 0.000 1.677 ( 0.000 -0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 -0.000 -0.000) 0.000 2.774 ( 0.000 -0.000 -0.000) 0.000 2.774 ( 0.000 0.000 -0.000) 0.000 2.946 ( -0.000 -0.000 0.000) 0.000 2.946 ( -0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 -0.000 0.000) 0.000 3.263 ( 0.000 -0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 -0.000 0.000) 0.000 3.534 ( 0.000 -0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 -0.000 0.000) 0.000 4.019 ( -0.000 -0.000 0.000) 0.000 4.169 ( 0.000 -0.000 0.000) 0.000 4.169 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 -0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 -0.000 0.000) 0.000 4.447 ( -0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 -0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 -0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 -0.000 0.000) 0.000 6.666 ( 0.000 -0.000 0.000) 0.000 6.666 ( 0.000 -0.000 0.000) 0.000 7.106 ( -0.000 0.000 -0.000) 0.000 7.269 ( 0.000 -0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 -0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.197 ( -0.000 0.000 0.000) 0.000 9.599 ( 0.000 -0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 10.040 ( 0.000 -0.000 0.000) 0.000 10.040 ( 0.000 0.000 0.000) 0.000 11.392 ( 0.000 -0.000 0.000) 0.000 11.392 ( 0.000 0.000 0.000) 0.000 11.816 ( 0.000 0.000 0.000) 0.000 12.153 ( 0.000 0.000 0.000) 0.000 12.190 ( -0.000 0.000 0.000) 0.000 12.190 ( -0.000 -0.000 0.000) 0.000 12.420 ( -0.000 -0.000 0.000) 0.000 12.586 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 -0.000 0.000) 0.000 15.296 ( 0.000 -0.000 0.000) 0.000 15.296 ( 0.000 0.000 0.000) 0.000 16.883 ( 0.000 -0.000 0.000) 0.000 16.883 ( 0.000 0.000 0.000) 0.000 16.919 ( -0.000 0.000 0.000) 0.000 16.919 ( 0.000 0.000 0.000) 0.000 20.599 ( 0.000 -0.000 0.000) 0.000 20.599 ( 0.000 0.000 0.000) 0.000 20.650 ( 0.000 0.000 0.000) 0.000 20.817 ( 0.000 0.000 0.000) 0.000 20.817 ( 0.000 0.000 0.000) 0.000 22.740 ( 0.000 0.000 0.000) 0.000 23.935 ( 0.000 0.000 0.000) 0.000 25.452 ( 0.000 0.000 0.000) 0.000 25.557 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 220 (38/50) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 5.380 3.106 -19.321) 20.295 1.186 ( 11.359 6.558 19.539) 23.534 1.380 ( 8.883 5.129 -24.207) 26.291 1.441 ( 12.428 7.175 20.462) 24.993 1.865 ( 15.201 8.776 6.531) 18.728 2.379 ( 6.651 3.840 -0.744) 7.716 2.511 ( 20.027 11.563 -0.413) 23.129 2.654 ( -7.456 -4.305 -11.338) 14.237 2.700 ( -3.169 -1.830 5.296) 6.437 2.991 ( 0.171 0.099 -1.740) 1.752 3.014 ( 5.267 3.041 10.365) 12.018 3.112 ( 4.700 2.713 -5.818) 7.956 3.214 ( -4.098 -2.366 2.315) 5.267 3.227 ( -1.536 -0.887 -1.566) 2.366 3.381 ( 12.009 6.933 -0.847) 13.892 3.501 ( -3.030 -1.749 -0.163) 3.502 3.522 ( 0.455 0.263 -0.035) 0.527 3.685 ( -0.140 -0.081 0.292) 0.333 4.009 ( -1.021 -0.590 0.202) 1.196 4.022 ( -2.523 -1.456 1.115) 3.119 4.067 ( -7.495 -4.327 -0.530) 8.670 4.176 ( -0.659 -0.381 1.855) 2.005 4.249 ( 3.320 1.917 -3.057) 4.903 4.276 ( 3.711 2.142 0.688) 4.340 4.542 ( 6.639 3.833 -2.876) 8.188 4.545 ( 9.194 5.308 3.312) 11.121 4.695 ( 6.207 3.583 -1.562) 7.335 4.822 ( 7.229 4.173 -2.496) 8.712 4.900 ( 11.760 6.789 2.566) 13.819 5.309 ( -3.185 -1.839 -0.493) 3.710 5.592 ( 1.084 0.626 -0.323) 1.293 5.860 ( 8.048 4.646 0.574) 9.311 6.312 ( 3.616 2.088 -0.493) 4.204 6.734 ( 5.679 3.279 1.977) 6.849 6.768 ( 7.819 4.514 0.461) 9.040 6.895 ( 47.795 27.594 1.229) 55.202 7.010 ( -3.874 -2.237 -0.599) 4.513 7.456 ( 11.109 6.414 0.059) 12.827 7.677 ( 42.482 24.527 -1.327) 49.072 7.914 ( -3.609 -2.084 3.222) 5.268 7.968 ( 1.226 0.708 -2.572) 2.936 8.127 ( 3.417 1.973 -1.948) 4.401 8.196 ( 6.723 3.882 1.751) 7.958 8.392 ( 13.887 8.018 -0.122) 16.036 9.555 ( -3.584 -2.069 -9.591) 10.445 9.556 ( -2.957 -1.707 9.273) 9.882 10.013 ( -2.503 -1.445 -9.416) 9.850 10.022 ( -1.660 -0.959 9.517) 9.708 11.287 ( -7.869 -4.543 1.236) 9.171 11.342 ( -4.351 -2.512 -1.360) 5.204 11.795 ( -2.453 -1.416 0.389) 2.859 12.083 ( -6.895 -3.981 -0.257) 7.965 12.125 ( -2.154 -1.244 0.179) 2.493 12.149 ( -3.621 -2.090 0.143) 4.183 12.495 ( 2.081 1.202 0.016) 2.403 12.601 ( 4.269 2.465 -0.390) 4.945 12.716 ( 0.304 0.176 0.145) 0.380 15.271 ( -2.198 -1.269 -0.147) 2.542 15.394 ( 2.001 1.155 0.079) 2.311 16.513 ( -29.944 -17.288 1.414) 34.605 16.874 ( -0.865 -0.500 1.156) 1.528 16.930 ( 1.095 0.632 -0.993) 1.608 17.130 ( 20.586 11.885 0.701) 23.781 19.450 ( -39.105 -22.577 -0.557) 45.158 20.599 ( -0.000 -0.000 -0.145) 0.145 20.702 ( 9.244 5.337 0.237) 10.676 20.817 ( -0.060 -0.035 0.124) 0.142 22.098 ( 45.856 26.475 -1.634) 52.975 22.791 ( 3.945 2.277 0.053) 4.555 23.875 ( -4.809 -2.777 -0.074) 5.554 25.426 ( -2.190 -1.265 -0.127) 2.532 25.495 ( -4.882 -2.819 0.158) 5.640 ======================= Grid point 222 (39/50) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 12.130 7.003 -12.366) 18.684 1.485 ( 16.298 9.410 0.467) 18.826 1.644 ( 11.838 6.835 -11.055) 17.580 1.758 ( 14.464 8.351 18.166) 24.677 2.218 ( 12.699 7.332 9.495) 17.469 2.478 ( -7.027 -4.057 -10.810) 13.517 2.591 ( 3.787 2.186 12.045) 12.815 2.852 ( 13.488 7.787 -1.640) 15.660 2.930 ( 5.751 3.320 -0.831) 6.693 2.998 ( 1.856 1.072 -5.763) 6.148 3.125 ( 1.061 0.613 1.671) 2.072 3.183 ( 1.966 1.135 -4.786) 5.297 3.195 ( 2.830 1.634 4.947) 5.929 3.252 ( 18.272 10.549 1.850) 21.179 3.402 ( -4.596 -2.654 -0.658) 5.348 3.522 ( -0.664 -0.384 -0.929) 1.205 3.661 ( 10.321 5.959 -2.211) 12.121 3.696 ( -0.016 -0.009 0.152) 0.153 3.825 ( -11.552 -6.670 -1.839) 13.465 3.952 ( -4.509 -2.603 -0.763) 5.262 3.969 ( -0.864 -0.499 3.327) 3.473 4.178 ( 2.816 1.626 3.547) 4.812 4.341 ( 1.303 0.752 -1.332) 2.010 4.374 ( 6.854 3.957 -2.248) 8.227 4.616 ( -0.568 -0.328 -1.144) 1.319 4.861 ( 16.886 9.749 5.587) 20.282 4.907 ( 8.855 5.112 -2.143) 10.447 5.052 ( 12.943 7.473 -5.811) 16.036 5.147 ( 5.833 3.368 0.175) 6.738 5.313 ( 7.690 4.440 2.394) 9.197 5.640 ( 3.266 1.885 -1.847) 4.199 6.103 ( 12.066 6.966 0.301) 13.936 6.435 ( 8.616 4.974 -4.499) 10.918 6.844 ( -2.943 -1.699 6.274) 7.135 6.905 ( 8.804 5.083 6.569) 12.104 7.106 ( 12.776 7.376 -5.010) 15.580 7.573 ( 22.116 12.769 -0.646) 25.546 7.647 ( 2.836 1.637 0.958) 3.411 7.854 ( -0.134 -0.077 4.014) 4.017 8.015 ( 4.262 2.460 -3.062) 5.796 8.295 ( 11.283 6.514 -3.327) 13.447 8.307 ( 8.399 4.849 -2.179) 9.940 8.820 ( 22.959 13.255 0.466) 26.515 8.897 ( 40.682 23.488 3.913) 47.138 9.458 ( -3.969 -2.291 -14.780) 15.474 9.512 ( 0.562 0.325 13.528) 13.544 9.920 ( -5.471 -3.159 -14.588) 15.897 9.957 ( -3.975 -2.295 14.920) 15.610 11.083 ( -9.187 -5.304 1.903) 10.777 11.191 ( -8.696 -5.020 -2.351) 10.313 11.705 ( -4.721 -2.726 0.486) 5.473 11.920 ( -6.642 -3.835 0.052) 7.670 12.018 ( -7.959 -4.595 0.212) 9.192 12.059 ( -3.963 -2.288 0.106) 4.577 12.517 ( 1.525 0.880 -1.012) 2.031 12.697 ( 0.979 0.565 0.254) 1.159 12.806 ( 8.573 4.950 0.025) 9.900 15.198 ( -3.989 -2.303 -0.248) 4.612 15.240 ( -14.150 -8.169 -0.274) 16.341 15.830 ( -25.687 -14.831 2.696) 29.784 16.844 ( -1.659 -0.958 1.374) 2.357 16.968 ( 2.121 1.225 -1.092) 2.682 17.651 ( 20.155 11.636 3.717) 23.568 18.851 ( -16.731 -9.660 -2.742) 19.513 20.600 ( 0.150 0.087 -0.264) 0.316 20.813 ( -0.270 -0.156 0.223) 0.384 21.027 ( 18.391 10.618 1.395) 21.281 22.812 ( 15.247 8.803 -4.829) 18.256 22.912 ( 8.961 5.174 1.140) 10.410 23.738 ( -6.488 -3.746 -0.258) 7.496 25.345 ( -5.698 -3.290 -1.459) 6.740 25.363 ( -5.172 -2.986 1.660) 6.199 ======================= Grid point 224 (40/50) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 13.328 7.695 -4.434) 16.016 1.878 ( 13.632 7.870 -11.726) 19.628 1.927 ( 14.877 8.589 3.765) 17.586 2.094 ( 14.266 8.236 12.715) 20.809 2.336 ( -5.085 -2.936 -7.807) 9.769 2.342 ( 1.431 0.826 3.796) 4.140 2.705 ( 0.926 0.534 1.256) 1.649 2.864 ( -6.550 -3.782 -3.972) 8.543 2.875 ( -3.337 -1.927 2.670) 4.689 2.997 ( 0.289 0.167 -1.606) 1.640 3.167 ( -6.066 -3.502 -1.878) 7.252 3.226 ( -0.379 -0.219 2.018) 2.065 3.276 ( 1.212 0.699 5.623) 5.794 3.405 ( 3.625 2.093 2.441) 4.846 3.484 ( -7.034 -4.061 0.050) 8.123 3.570 ( -1.764 -1.019 3.989) 4.479 3.732 ( 5.269 3.042 8.597) 10.532 3.761 ( 3.834 2.213 -2.193) 4.940 3.839 ( 12.447 7.186 -7.397) 16.164 3.943 ( 11.663 6.734 -4.481) 14.193 4.068 ( 9.526 5.500 -0.961) 11.042 4.306 ( 6.833 3.945 0.579) 7.911 4.329 ( -0.768 -0.443 -3.038) 3.165 4.533 ( 6.233 3.599 0.642) 7.226 4.554 ( -3.659 -2.113 0.736) 4.289 4.987 ( -1.618 -0.934 -1.635) 2.483 5.244 ( 15.248 8.803 4.905) 18.277 5.253 ( 4.781 2.761 0.515) 5.545 5.434 ( 19.183 11.075 -5.274) 22.770 5.542 ( 8.106 4.680 2.711) 9.744 5.744 ( 5.887 3.399 -4.988) 8.432 6.372 ( 10.383 5.995 -0.917) 12.024 6.691 ( 11.829 6.830 -10.339) 17.131 6.749 ( -4.548 -2.626 6.782) 8.578 7.142 ( 11.944 6.896 13.441) 19.258 7.418 ( 11.631 6.715 -2.141) 13.600 7.611 ( -2.683 -1.549 2.720) 4.122 7.883 ( 0.909 0.525 3.306) 3.469 7.997 ( 12.712 7.339 -4.082) 15.235 8.202 ( 13.227 7.637 -2.159) 15.425 8.501 ( 8.586 4.957 -4.652) 10.951 8.599 ( 13.192 7.616 -7.233) 16.862 9.336 ( 10.582 6.109 -6.447) 13.815 9.378 ( 3.263 1.884 18.067) 18.456 9.491 ( 16.726 9.657 -5.046) 19.962 9.712 ( 6.532 3.771 -5.863) 9.553 9.824 ( 6.642 3.835 -6.073) 9.783 9.862 ( -2.097 -1.211 15.399) 15.589 10.877 ( -8.456 -4.882 0.811) 9.797 10.941 ( -13.003 -7.508 -2.885) 15.290 11.604 ( -3.687 -2.129 -0.726) 4.319 11.774 ( -13.383 -7.727 0.213) 15.455 11.790 ( -4.536 -2.619 0.727) 5.288 11.937 ( -6.376 -3.681 -0.206) 7.365 12.572 ( 2.929 1.691 -2.546) 4.233 12.706 ( -0.024 -0.014 2.010) 2.010 13.009 ( 8.190 4.729 -0.170) 9.459 14.850 ( -17.440 -10.069 0.284) 20.140 15.097 ( -4.519 -2.609 -0.254) 5.224 15.355 ( -16.171 -9.336 1.230) 18.713 16.803 ( -1.762 -1.018 1.201) 2.363 17.021 ( 2.298 1.327 -0.908) 2.805 17.985 ( 9.265 5.349 4.290) 11.527 18.570 ( -8.751 -5.052 -3.062) 10.559 20.606 ( 0.360 0.208 -0.309) 0.518 20.804 ( -0.512 -0.295 0.262) 0.646 21.499 ( 21.176 12.226 2.252) 24.555 22.928 ( 1.294 0.747 -0.119) 1.499 23.154 ( 6.922 3.996 -2.968) 8.526 23.605 ( -4.423 -2.554 -0.822) 5.173 25.193 ( -6.480 -3.741 0.032) 7.482 25.249 ( -5.241 -3.026 0.303) 6.060 ======================= Grid point 226 (41/50) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 11.185 6.458 -0.034) 12.915 2.107 ( 6.912 3.991 -4.053) 8.952 2.176 ( 3.637 2.100 -1.047) 4.328 2.206 ( -4.045 -2.335 -2.723) 5.407 2.424 ( 10.225 5.904 5.873) 13.187 2.475 ( 11.393 6.578 -0.047) 13.155 2.639 ( -3.535 -2.041 -0.736) 4.148 2.726 ( -3.026 -1.747 -3.363) 4.850 2.807 ( -2.176 -1.256 1.552) 2.953 2.967 ( -3.740 -2.159 -1.818) 4.686 3.006 ( -4.598 -2.655 0.311) 5.318 3.136 ( -7.586 -4.380 -2.159) 9.022 3.167 ( -6.463 -3.731 -0.369) 7.472 3.257 ( -9.928 -5.732 1.086) 11.515 3.561 ( 4.847 2.798 9.890) 11.363 3.631 ( -3.235 -1.867 4.037) 5.500 3.676 ( 8.248 4.762 3.648) 10.199 3.884 ( 2.438 1.408 -0.909) 2.959 4.065 ( 5.257 3.035 -4.439) 7.520 4.129 ( -2.525 -1.458 -2.542) 3.868 4.282 ( 10.679 6.166 5.752) 13.607 4.462 ( 7.140 4.123 -8.059) 11.529 4.488 ( -1.107 -0.639 1.919) 2.306 4.580 ( 17.984 10.383 -6.916) 21.888 4.637 ( 2.379 1.373 2.585) 3.772 4.886 ( -6.183 -3.570 -0.376) 7.149 5.327 ( 0.992 0.573 2.517) 2.765 5.518 ( 7.416 4.282 4.499) 9.673 5.640 ( 0.863 0.498 1.031) 1.434 5.841 ( 14.564 8.409 -4.601) 17.435 5.933 ( 10.202 5.890 -5.868) 13.161 6.498 ( -2.126 -1.227 1.401) 2.827 6.694 ( 2.013 1.162 3.376) 4.099 6.905 ( 6.137 3.543 -8.423) 11.007 7.422 ( 10.457 6.038 11.662) 16.787 7.468 ( -3.191 -1.843 5.200) 6.374 7.700 ( 6.383 3.685 -3.894) 8.336 7.874 ( -1.555 -0.898 3.655) 4.073 8.226 ( 8.975 5.182 -3.478) 10.931 8.499 ( 9.379 5.415 -1.495) 10.933 8.691 ( 7.110 4.105 -5.862) 10.088 8.850 ( 8.915 5.147 -10.823) 14.937 9.340 ( -5.235 -3.022 7.489) 9.624 9.395 ( -3.375 -1.948 -1.875) 4.324 9.684 ( 0.535 0.309 0.736) 0.961 9.797 ( 11.418 6.592 11.684) 17.616 10.122 ( 9.346 5.396 -0.441) 10.800 10.215 ( 27.516 15.886 -0.716) 31.781 10.597 ( -16.413 -9.476 -3.073) 19.199 10.714 ( -4.988 -2.880 -1.131) 5.870 11.395 ( -19.571 -11.299 0.207) 22.600 11.543 ( -1.552 -0.896 -0.758) 1.946 11.709 ( -2.506 -1.447 0.094) 2.895 11.787 ( -5.928 -3.423 -0.011) 6.846 12.636 ( 2.291 1.322 -4.033) 4.823 12.698 ( -0.570 -0.329 3.768) 3.825 13.163 ( 4.865 2.809 -0.066) 5.618 14.508 ( -11.142 -6.433 0.345) 12.871 15.005 ( -3.065 -1.770 -0.156) 3.543 15.072 ( -8.287 -4.785 0.284) 9.573 16.769 ( -1.129 -0.652 0.710) 1.485 17.067 ( 1.483 0.856 -0.530) 1.792 18.119 ( 3.186 1.839 2.566) 4.485 18.423 ( -4.227 -2.440 -1.811) 5.206 20.615 ( 0.359 0.207 -0.222) 0.470 20.792 ( -0.471 -0.272 0.192) 0.577 21.935 ( 15.111 8.725 1.643) 17.526 22.926 ( -0.898 -0.519 0.826) 1.326 23.225 ( -0.030 -0.017 -1.380) 1.381 23.551 ( -0.406 -0.235 -1.748) 1.810 25.069 ( -3.822 -2.207 0.635) 4.459 25.133 ( -4.392 -2.536 -0.348) 5.084 ======================= Grid point 228 (42/50) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -0.000 -0.000 -0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.175 ( -0.000 -0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.506 ( -0.000 -0.000 -0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.694 ( -0.000 -0.000 0.000) 0.000 2.765 ( 0.000 0.000 0.000) 0.000 2.797 ( -0.000 -0.000 0.000) 0.000 2.871 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.018 ( -0.000 -0.000 0.000) 0.000 3.075 ( -0.000 -0.000 -0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 -0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.589 ( -0.000 -0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.843 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 -0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 -0.000) 0.000 6.406 ( -0.000 -0.000 0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 -0.000) 0.000 7.423 ( -0.000 -0.000 0.000) 0.000 7.550 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 7.840 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 -0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 -0.000) 0.000 8.991 ( 0.000 0.000 -0.000) 0.000 9.249 ( 0.000 0.000 -0.000) 0.000 9.293 ( -0.000 -0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.181 ( -0.000 -0.000 -0.000) 0.000 10.219 ( 0.000 0.000 -0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 10.794 ( -0.000 -0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.709 ( 0.000 0.000 0.000) 0.000 12.668 ( 0.000 0.000 0.000) 0.000 12.686 ( 0.000 0.000 -0.000) 0.000 13.221 ( 0.000 0.000 0.000) 0.000 14.374 ( 0.000 0.000 0.000) 0.000 14.968 ( 0.000 0.000 0.000) 0.000 14.976 ( 0.000 0.000 0.000) 0.000 16.755 ( 0.000 0.000 0.000) 0.000 17.084 ( 0.000 0.000 0.000) 0.000 18.154 ( 0.000 0.000 0.000) 0.000 18.374 ( 0.000 0.000 0.000) 0.000 20.620 ( 0.000 0.000 0.000) 0.000 20.786 ( 0.000 0.000 0.000) 0.000 22.124 ( 0.000 0.000 0.000) 0.000 22.912 ( 0.000 0.000 0.000) 0.000 23.211 ( 0.000 0.000 0.000) 0.000 23.554 ( 0.000 0.000 0.000) 0.000 25.026 ( 0.000 0.000 0.000) 0.000 25.075 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 242 (43/50) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 9.888 17.127 0.000) 19.776 1.342 ( 6.733 11.661 -0.000) 13.465 1.503 ( 7.736 13.400 0.000) 15.473 1.641 ( 5.137 8.897 -0.000) 10.274 2.172 ( 9.402 16.285 0.000) 18.804 2.538 ( -1.899 -3.290 0.000) 3.798 2.615 ( -0.715 -1.238 0.000) 1.429 2.663 ( 9.986 17.297 -0.000) 19.973 2.878 ( 9.428 16.329 0.000) 18.855 3.032 ( 2.131 3.691 0.000) 4.262 3.084 ( 4.038 6.994 0.000) 8.076 3.164 ( 0.512 0.887 -0.000) 1.024 3.168 ( -1.112 -1.926 0.000) 2.224 3.196 ( 1.245 2.156 0.000) 2.489 3.417 ( -2.719 -4.709 0.000) 5.438 3.529 ( 0.176 0.305 0.000) 0.352 3.604 ( 5.590 9.682 0.000) 11.180 3.704 ( 2.148 3.720 0.000) 4.296 3.883 ( -6.607 -11.444 0.000) 13.215 3.968 ( -2.429 -4.207 0.000) 4.857 4.007 ( -0.495 -0.857 0.000) 0.989 4.190 ( 0.039 0.068 0.000) 0.079 4.298 ( 1.747 3.027 0.000) 3.495 4.346 ( 3.386 5.865 0.000) 6.772 4.578 ( 0.610 1.056 0.000) 1.220 4.793 ( 10.047 17.402 0.000) 20.094 4.831 ( 4.783 8.284 0.000) 9.566 5.005 ( 7.010 12.142 0.000) 14.020 5.084 ( 5.051 8.748 0.000) 10.101 5.257 ( 0.657 1.137 0.000) 1.313 5.633 ( 1.683 2.915 0.000) 3.366 6.090 ( 9.482 16.423 0.000) 18.964 6.396 ( 4.414 7.645 0.000) 8.828 6.824 ( 3.242 5.615 0.000) 6.484 6.953 ( -1.020 -1.767 0.000) 2.040 6.959 ( 7.290 12.626 -0.000) 14.580 7.402 ( 12.531 21.705 0.000) 25.063 7.621 ( 4.009 6.944 0.000) 8.018 7.882 ( -0.729 -1.263 0.000) 1.459 7.944 ( 0.397 0.687 0.000) 0.793 8.207 ( 5.161 8.939 0.000) 10.322 8.335 ( 6.649 11.516 0.000) 13.298 8.485 ( 17.881 30.970 0.000) 35.761 8.776 ( 20.062 34.748 0.000) 40.124 9.496 ( -1.913 -3.313 0.000) 3.826 9.503 ( -1.363 -2.361 -0.000) 2.726 9.956 ( -2.672 -4.628 -0.000) 5.344 9.977 ( -1.915 -3.316 0.000) 3.829 11.139 ( -5.294 -9.170 0.000) 10.588 11.241 ( -4.378 -7.582 0.000) 8.755 11.736 ( -2.384 -4.130 0.000) 4.769 11.964 ( -4.218 -7.306 0.000) 8.436 12.028 ( -4.105 -7.109 0.000) 8.209 12.112 ( -1.686 -2.921 0.000) 3.373 12.508 ( 0.433 0.749 0.000) 0.865 12.722 ( 4.882 8.456 0.000) 9.765 12.724 ( 0.507 0.878 -0.000) 1.013 15.214 ( -2.533 -4.387 0.000) 5.066 15.336 ( -5.134 -8.893 0.000) 10.269 15.981 ( -17.098 -29.615 0.000) 34.197 16.898 ( 0.168 0.290 0.000) 0.335 16.909 ( -0.433 -0.750 0.000) 0.866 17.525 ( 13.482 23.351 0.000) 26.963 18.969 ( -11.721 -20.301 0.000) 23.442 20.622 ( 0.442 0.766 0.000) 0.885 20.721 ( -0.284 -0.491 0.000) 0.567 20.989 ( 9.111 15.781 0.000) 18.222 22.695 ( 14.955 25.904 0.000) 29.911 22.863 ( 2.520 4.365 0.000) 5.040 23.776 ( -3.822 -6.620 0.000) 7.644 25.377 ( -2.111 -3.656 -0.000) 4.222 25.397 ( -3.761 -6.515 0.000) 7.522 ======================= Grid point 244 (44/50) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 3.229 16.809 -5.670) 18.031 1.731 ( 15.904 15.183 -2.353) 22.114 1.817 ( 8.460 10.366 -7.303) 15.243 1.893 ( 16.821 8.187 14.743) 23.818 2.339 ( 0.496 1.455 1.678) 2.275 2.419 ( -5.513 -1.724 -4.170) 7.124 2.694 ( 3.971 7.101 3.135) 8.719 2.820 ( -1.718 -6.051 0.172) 6.292 2.992 ( -4.036 -0.407 -0.371) 4.073 3.051 ( -2.990 2.031 -1.466) 3.900 3.140 ( 1.827 -4.442 1.308) 4.978 3.232 ( 0.266 1.721 -1.811) 2.513 3.257 ( 6.125 8.153 6.203) 11.936 3.379 ( 3.565 3.942 -2.181) 5.745 3.496 ( 5.931 3.983 -0.017) 7.144 3.601 ( 0.885 6.098 1.754) 6.406 3.616 ( 0.074 -1.158 0.343) 1.210 3.704 ( 7.601 2.099 -4.161) 8.916 3.807 ( -3.148 -0.953 2.063) 3.883 3.902 ( 0.476 0.703 -4.648) 4.725 3.985 ( 3.839 2.489 2.618) 5.271 4.278 ( 4.221 9.204 0.162) 10.127 4.356 ( 0.960 2.645 -0.970) 2.976 4.491 ( 4.766 7.122 0.075) 8.570 4.582 ( 0.298 -1.242 1.066) 1.664 4.953 ( 2.168 3.539 -1.139) 4.304 5.114 ( 9.418 -0.499 0.193) 9.434 5.214 ( 5.337 16.775 3.549) 17.958 5.302 ( 12.904 13.988 -5.223) 19.735 5.444 ( 9.228 8.294 2.104) 12.584 5.701 ( 2.865 3.021 -2.152) 4.687 6.432 ( 5.277 23.098 0.036) 23.693 6.634 ( 8.492 15.092 -5.398) 18.139 6.861 ( -5.356 3.664 4.217) 7.739 7.001 ( 7.783 3.417 7.004) 11.014 7.267 ( 13.759 9.041 -3.095) 16.752 7.649 ( -2.597 -1.062 1.591) 3.225 7.821 ( 16.092 11.160 -1.019) 19.610 7.892 ( 0.097 3.346 2.849) 4.395 8.011 ( 7.297 -1.218 -2.759) 7.895 8.405 ( 8.004 8.390 -3.193) 12.027 8.615 ( 7.715 19.308 -1.927) 20.881 9.036 ( 24.275 13.646 1.558) 27.891 9.323 ( 5.941 6.277 1.023) 8.703 9.432 ( -1.150 -1.352 -1.194) 2.139 9.629 ( 11.973 16.222 0.867) 20.181 9.843 ( -3.394 -3.188 -5.198) 6.978 9.898 ( -3.171 -2.816 6.860) 8.065 10.947 ( -6.751 -7.880 0.808) 10.408 11.038 ( -8.744 -10.447 -1.518) 13.708 11.649 ( -3.456 -2.560 -0.231) 4.308 11.824 ( -3.964 -5.408 0.390) 6.717 11.839 ( -7.327 -11.780 0.129) 13.873 12.018 ( -5.404 -3.427 -0.069) 6.400 12.544 ( 2.143 1.859 -1.035) 3.021 12.734 ( -1.122 2.358 0.780) 2.725 12.913 ( 7.899 5.811 -0.178) 9.808 15.035 ( -14.619 -10.670 0.295) 18.101 15.116 ( -3.355 -7.720 -0.501) 8.432 15.474 ( -13.235 -17.866 1.087) 22.260 16.847 ( -3.823 0.678 1.377) 4.120 16.945 ( 4.330 -3.240 -1.220) 5.544 17.918 ( 9.303 13.255 2.401) 16.371 18.661 ( -8.274 -8.343 -1.728) 11.876 20.617 ( -1.371 1.046 -0.536) 1.806 20.726 ( 3.633 -5.270 0.673) 6.436 21.390 ( 13.826 22.395 0.950) 26.336 22.935 ( 1.127 4.127 -0.524) 4.310 23.069 ( 8.695 8.120 -1.407) 11.980 23.637 ( -4.241 -5.984 -0.302) 7.341 25.252 ( -5.424 -5.691 -0.224) 7.865 25.285 ( -3.544 -4.885 0.388) 6.048 ======================= Grid point 246 (45/50) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 6.787 10.869 -1.608) 12.915 2.034 ( 7.025 7.022 -4.875) 11.064 2.117 ( 9.749 9.603 0.063) 13.684 2.247 ( 10.574 7.180 7.200) 14.670 2.314 ( -1.168 1.847 -3.543) 4.162 2.401 ( 4.622 5.800 1.508) 7.568 2.709 ( -3.060 -2.710 -0.040) 4.088 2.736 ( -3.702 -0.965 -3.717) 5.334 2.881 ( -5.612 -0.571 0.877) 5.708 3.007 ( -2.806 -3.463 0.166) 4.460 3.049 ( -4.443 -4.021 -3.832) 7.112 3.171 ( -5.880 -6.022 -1.107) 8.489 3.250 ( -3.245 -2.650 1.751) 4.541 3.388 ( -10.623 -3.778 0.881) 11.309 3.503 ( 2.011 -1.320 7.180) 7.572 3.597 ( 7.968 9.634 6.268) 13.985 3.629 ( -4.621 -9.509 2.503) 10.865 3.765 ( 8.439 -3.339 -1.302) 9.169 4.030 ( 5.526 7.961 -1.397) 9.791 4.108 ( 8.148 3.738 -0.284) 8.969 4.164 ( 8.307 5.027 -3.494) 10.319 4.374 ( 6.953 9.273 -4.496) 12.432 4.515 ( 5.319 13.669 -4.815) 15.438 4.554 ( -1.125 5.532 1.656) 5.883 4.664 ( 2.177 8.143 4.158) 9.399 4.952 ( -3.825 0.287 -1.280) 4.044 5.267 ( 7.211 0.557 1.695) 7.428 5.454 ( 7.106 9.662 3.250) 12.426 5.588 ( 5.279 0.866 0.572) 5.380 5.746 ( 11.977 17.258 -3.262) 21.259 5.813 ( 8.114 3.388 -5.179) 10.205 6.622 ( -6.390 8.322 2.500) 10.786 6.844 ( -4.138 19.549 4.648) 20.516 6.887 ( 1.929 10.731 -10.868) 15.395 7.239 ( 14.478 4.020 10.056) 18.080 7.550 ( 2.533 6.813 4.819) 8.721 7.607 ( 4.812 1.522 -2.544) 5.652 7.909 ( -1.844 2.164 3.600) 4.588 8.119 ( 8.903 5.069 -4.001) 10.998 8.170 ( 15.320 -7.786 -2.203) 17.325 8.637 ( 7.331 9.698 -7.320) 14.191 8.949 ( 6.438 20.585 -2.918) 21.765 9.332 ( 1.101 -3.278 -0.043) 3.458 9.393 ( 0.633 -1.009 1.851) 2.201 9.602 ( 12.565 0.797 -0.719) 12.611 9.723 ( 3.363 1.908 4.203) 5.711 9.879 ( 10.408 4.921 6.889) 13.417 10.090 ( 11.392 14.558 -1.844) 18.578 10.734 ( -12.550 -13.187 -2.381) 18.359 10.761 ( -5.856 -6.632 -0.402) 8.856 11.523 ( -11.798 -15.623 0.520) 19.584 11.582 ( -3.654 -0.936 -1.040) 3.913 11.729 ( -2.146 -3.176 0.283) 3.844 11.869 ( -6.971 -3.742 -0.009) 7.912 12.608 ( 2.710 1.860 -2.272) 3.996 12.728 ( -1.914 1.719 2.028) 3.276 13.089 ( 6.660 3.321 -0.144) 7.444 14.668 ( -14.765 -7.575 0.445) 16.601 14.993 ( -1.192 -8.810 -0.451) 8.902 15.152 ( -8.969 -8.938 0.544) 12.674 16.794 ( -2.471 -0.143 1.063) 2.694 16.985 ( 4.658 -4.562 -0.900) 6.582 18.118 ( 2.834 7.399 2.574) 8.331 18.491 ( -5.526 -2.475 -1.817) 6.322 20.608 ( -0.064 -0.235 -0.548) 0.599 20.731 ( 3.030 -5.344 0.669) 6.179 21.854 ( 12.779 21.300 1.350) 24.876 22.967 ( -1.580 3.173 0.772) 3.628 23.199 ( 2.419 -0.018 -1.800) 3.015 23.536 ( -0.910 -4.253 -1.223) 4.518 25.111 ( -4.559 -4.276 0.475) 6.269 25.167 ( -3.910 -4.930 -0.227) 6.296 ======================= Grid point 248 (46/50) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 6.132 3.902 0.229) 7.272 2.140 ( 0.771 0.920 -1.209) 1.704 2.203 ( -2.120 1.150 -0.252) 2.425 2.278 ( -3.847 8.051 -2.331) 9.222 2.498 ( 5.902 3.195 3.516) 7.577 2.612 ( 2.034 4.334 -1.421) 4.994 2.658 ( 0.509 3.634 -0.607) 3.720 2.732 ( 5.864 2.959 -0.716) 6.607 2.800 ( -2.281 -0.010 0.965) 2.477 2.926 ( -4.390 -3.557 -2.670) 6.249 2.947 ( -2.616 -2.278 1.106) 3.641 3.018 ( -1.616 -2.369 -0.848) 2.991 3.135 ( -6.358 -1.837 0.042) 6.618 3.169 ( -10.017 -1.969 0.028) 10.209 3.517 ( 2.925 -9.313 2.774) 10.148 3.550 ( 5.949 -5.123 5.139) 9.383 3.747 ( 3.527 0.758 -0.077) 3.609 3.874 ( 2.374 -1.736 -0.428) 2.972 4.071 ( 2.219 -0.704 -0.642) 2.415 4.132 ( -0.910 0.661 -1.390) 1.788 4.329 ( 3.935 0.403 1.945) 4.408 4.553 ( 0.142 6.458 -0.774) 6.506 4.653 ( 0.377 12.712 -3.431) 13.173 4.741 ( -1.299 8.146 2.866) 8.733 4.796 ( 4.403 7.396 -4.634) 9.776 4.870 ( -4.943 6.761 0.729) 8.407 5.322 ( -0.543 -0.309 2.109) 2.200 5.598 ( 2.381 0.580 3.221) 4.047 5.618 ( 0.127 0.643 -0.645) 0.920 6.029 ( 11.626 4.185 -5.464) 13.511 6.061 ( 3.707 11.021 -2.230) 11.839 6.470 ( -9.595 -2.573 4.800) 11.033 6.961 ( 0.535 1.635 -3.042) 3.494 6.980 ( -9.831 25.888 0.604) 27.698 7.467 ( 3.504 5.323 -3.259) 7.158 7.557 ( -1.433 4.078 10.307) 11.177 7.765 ( 3.735 3.293 -3.608) 6.149 7.874 ( -3.173 0.894 3.263) 4.638 8.286 ( 12.319 -11.035 -0.314) 16.542 8.318 ( 7.733 -2.816 -3.233) 8.842 8.799 ( 1.255 6.248 -4.032) 7.541 9.183 ( -0.728 11.130 -2.284) 11.385 9.267 ( -1.698 -0.655 -4.456) 4.814 9.348 ( -5.262 2.401 4.347) 7.235 9.641 ( 2.888 -3.390 3.993) 5.982 9.960 ( 15.825 8.023 5.959) 18.717 10.199 ( 5.848 3.645 0.652) 6.922 10.345 ( -13.854 -12.428 -3.547) 18.946 10.497 ( 22.791 6.815 -0.908) 23.806 10.645 ( 0.418 -3.890 -1.093) 4.063 11.082 ( -17.586 -18.985 0.530) 25.884 11.548 ( -1.453 1.358 -0.293) 2.010 11.681 ( -0.862 -1.284 -0.603) 1.660 11.738 ( -3.831 -1.501 0.474) 4.142 12.665 ( 1.831 1.499 -3.084) 3.887 12.704 ( -2.187 0.768 2.994) 3.786 13.195 ( 3.020 0.436 -0.033) 3.051 14.428 ( -6.765 -1.345 0.204) 6.900 14.915 ( 2.092 -7.609 -0.289) 7.896 14.985 ( -3.302 -3.131 0.239) 4.557 16.763 ( -0.941 0.022 0.400) 1.023 17.010 ( 4.167 -5.843 -0.337) 7.185 18.192 ( -0.979 5.009 1.036) 5.208 18.412 ( -3.001 1.183 -0.726) 3.306 20.608 ( 0.598 -0.916 -0.233) 1.119 20.728 ( 2.753 -5.076 0.279) 5.781 22.188 ( 2.529 15.300 0.602) 15.520 22.958 ( -2.812 3.757 0.636) 4.735 23.189 ( 0.260 -3.653 -0.497) 3.696 23.516 ( 2.098 -3.442 -1.032) 4.161 25.026 ( -1.271 -2.117 0.638) 2.550 25.073 ( -1.553 -3.137 -0.506) 3.536 ======================= Grid point 264 (47/50) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 4.869 8.433 0.000) 9.737 2.011 ( 5.002 8.663 0.000) 10.004 2.070 ( 8.871 15.365 -0.000) 17.742 2.148 ( 9.313 16.131 0.000) 18.626 2.344 ( 0.964 1.670 0.000) 1.928 2.412 ( 0.844 1.463 0.000) 1.689 2.701 ( -2.616 -4.531 0.000) 5.232 2.796 ( 1.350 2.339 0.000) 2.700 2.974 ( -1.451 -2.513 0.000) 2.902 2.999 ( -4.647 -8.048 0.000) 9.294 3.025 ( -1.078 -1.867 0.000) 2.156 3.230 ( -0.697 -1.207 -0.000) 1.394 3.235 ( -5.520 -9.560 0.000) 11.039 3.465 ( -2.198 -3.808 0.000) 4.397 3.525 ( -2.174 -3.765 0.000) 4.348 3.571 ( -1.884 -3.264 0.000) 3.769 3.630 ( 2.988 5.175 0.000) 5.976 3.632 ( -2.158 -3.738 0.000) 4.317 3.999 ( 5.780 10.011 -0.000) 11.559 4.045 ( 8.145 14.107 0.000) 16.290 4.096 ( 3.457 5.989 0.000) 6.915 4.410 ( 2.966 5.138 0.000) 5.933 4.539 ( 7.494 12.981 0.000) 14.989 4.609 ( 3.421 5.925 0.000) 6.841 4.664 ( 5.222 9.044 0.000) 10.443 5.063 ( 2.822 4.888 0.000) 5.645 5.118 ( 2.948 5.106 0.000) 5.896 5.476 ( 5.290 9.162 0.000) 10.579 5.511 ( 2.744 4.753 0.000) 5.488 5.738 ( 11.883 20.581 0.000) 23.765 5.752 ( 1.436 2.487 -0.000) 2.871 6.745 ( 0.891 1.543 0.000) 1.781 6.995 ( 10.428 18.063 -0.000) 20.857 7.035 ( 2.385 4.131 0.000) 4.770 7.090 ( 10.792 18.692 0.000) 21.584 7.467 ( 6.430 11.136 -0.000) 12.859 7.634 ( 0.197 0.341 0.000) 0.394 7.968 ( 0.557 0.964 -0.000) 1.114 7.968 ( 1.906 3.301 0.000) 3.812 8.045 ( 4.487 7.771 0.000) 8.973 8.617 ( 7.152 12.388 0.000) 14.305 8.957 ( 7.633 13.221 0.000) 15.266 9.364 ( 0.089 0.154 -0.000) 0.178 9.371 ( -1.904 -3.297 0.000) 3.807 9.403 ( 12.406 21.488 0.000) 24.813 9.699 ( -0.919 -1.592 -0.000) 1.839 9.866 ( 0.184 0.318 0.000) 0.368 10.057 ( 9.010 15.605 0.000) 18.019 10.775 ( -9.055 -15.684 0.000) 18.110 10.780 ( -5.039 -8.728 -0.000) 10.078 11.540 ( -9.350 -16.195 0.000) 18.700 11.617 ( -1.582 -2.740 0.000) 3.164 11.727 ( -2.206 -3.822 0.000) 4.413 11.917 ( -3.690 -6.391 0.000) 7.380 12.591 ( 1.590 2.755 0.000) 3.181 12.765 ( 0.268 0.464 0.000) 0.536 13.036 ( 3.595 6.226 0.000) 7.189 14.811 ( -7.273 -12.597 0.000) 14.546 14.908 ( -5.923 -10.259 0.000) 11.846 15.190 ( -6.300 -10.912 0.000) 12.600 16.857 ( -0.939 -1.627 -0.000) 1.878 16.869 ( -1.103 -1.911 0.000) 2.206 18.137 ( 4.837 8.379 0.000) 9.675 18.532 ( -2.679 -4.640 0.000) 5.358 20.626 ( -0.433 -0.750 -0.000) 0.866 20.645 ( -1.227 -2.124 0.000) 2.453 21.860 ( 13.638 23.623 0.000) 27.277 23.006 ( 1.779 3.081 0.000) 3.558 23.171 ( 1.011 1.752 0.000) 2.023 23.518 ( -3.114 -5.393 0.000) 6.227 25.132 ( -3.444 -5.964 0.000) 6.887 25.174 ( -3.394 -5.878 0.000) 6.788 ======================= Grid point 266 (48/50) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 3.558 4.105 -0.275) 5.439 2.134 ( 2.187 3.546 -1.187) 4.332 2.235 ( 0.375 1.700 -0.077) 1.742 2.390 ( 7.166 7.987 2.675) 11.059 2.450 ( -1.116 9.563 -0.147) 9.629 2.571 ( 10.254 9.843 -0.990) 14.248 2.681 ( 2.015 1.834 -0.441) 2.760 2.788 ( -5.428 3.186 -2.843) 6.907 2.826 ( -5.978 -4.976 -0.059) 7.778 2.923 ( -0.534 -0.287 1.069) 1.229 3.000 ( -0.952 -3.776 -0.876) 3.992 3.039 ( -4.802 -5.278 -1.886) 7.380 3.203 ( -1.777 -1.355 1.421) 2.649 3.321 ( -7.871 -6.419 2.609) 10.487 3.390 ( -3.657 -5.139 3.513) 7.220 3.419 ( -2.165 -9.754 -1.739) 10.142 3.592 ( 8.415 -7.680 1.033) 11.440 3.878 ( 0.524 7.089 -0.003) 7.108 3.986 ( 2.113 -6.821 0.401) 7.152 4.176 ( -0.104 4.147 -0.332) 4.162 4.277 ( 5.049 4.149 -0.636) 6.565 4.610 ( 4.363 12.782 -1.355) 13.574 4.766 ( 3.963 12.131 1.615) 12.864 4.785 ( 4.878 12.098 -5.640) 14.211 4.814 ( 2.756 5.508 3.275) 6.975 5.094 ( -5.566 13.195 -0.675) 14.337 5.314 ( 5.237 5.123 2.111) 7.624 5.538 ( 1.487 -2.334 1.101) 2.979 5.632 ( 3.212 5.370 1.628) 6.466 5.839 ( 9.192 0.802 -5.138) 10.561 6.099 ( 6.542 13.581 -1.022) 15.109 6.629 ( -8.837 -3.580 3.241) 10.070 7.034 ( -4.305 6.163 -0.814) 7.562 7.341 ( 10.738 6.696 -0.813) 12.681 7.446 ( -0.835 27.733 1.011) 27.764 7.650 ( -0.728 4.933 -0.951) 5.076 7.714 ( 7.823 8.313 2.254) 11.635 7.937 ( -0.568 -3.807 0.509) 3.883 8.022 ( 1.353 0.041 1.427) 1.967 8.219 ( 7.103 4.589 -2.335) 8.773 8.852 ( 3.520 11.170 -7.000) 13.644 9.141 ( 7.685 -3.449 10.792) 13.690 9.286 ( -3.171 -3.718 -2.343) 5.419 9.332 ( 1.170 -2.130 -5.723) 6.218 9.734 ( 4.140 12.722 -3.223) 13.761 9.813 ( 3.314 10.051 4.821) 11.630 10.029 ( 17.754 8.431 6.746) 20.780 10.295 ( 6.494 5.516 -3.444) 9.190 10.434 ( -10.892 -15.568 -1.310) 19.045 10.607 ( -3.968 -9.224 -0.547) 10.056 11.141 ( -13.651 -21.705 0.408) 25.644 11.590 ( -1.303 1.149 -0.096) 1.740 11.677 ( -0.546 -1.788 -0.552) 1.949 11.786 ( -4.307 -4.351 0.350) 6.132 12.648 ( 1.920 2.164 -0.892) 3.027 12.753 ( -1.877 0.452 0.854) 2.111 13.145 ( 3.501 2.311 -0.053) 4.196 14.562 ( -10.064 -2.934 0.341) 10.489 14.775 ( 2.247 -10.906 -0.388) 11.142 15.009 ( -4.624 -6.395 0.138) 7.892 16.793 ( -2.824 -0.001 0.803) 2.936 16.875 ( 3.664 -5.454 -0.770) 6.615 18.256 ( 0.906 5.870 0.666) 5.977 18.468 ( -2.146 -0.199 -0.467) 2.205 20.596 ( -0.771 -0.894 -0.767) 1.408 20.633 ( 1.942 -3.971 0.839) 4.500 22.288 ( 8.433 21.120 0.309) 22.743 23.053 ( -1.330 5.324 0.749) 5.539 23.145 ( -1.209 -5.400 -0.533) 5.559 23.439 ( 0.426 -5.452 -0.754) 5.520 25.029 ( -2.379 -3.734 0.585) 4.466 25.067 ( -2.367 -4.724 -0.507) 5.308 ======================= Grid point 268 (49/50) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 107 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 0.899 -1.557 0.000) 1.797 2.176 ( -1.031 1.785 0.000) 2.061 2.229 ( -0.647 1.121 0.000) 1.294 2.475 ( -6.235 10.800 0.000) 12.470 2.559 ( -0.725 1.256 0.000) 1.451 2.653 ( 0.951 -1.648 -0.000) 1.903 2.713 ( -3.547 6.143 0.000) 7.094 2.746 ( 1.069 -1.852 0.000) 2.138 2.843 ( 0.531 -0.920 -0.000) 1.063 2.876 ( -1.196 2.071 0.000) 2.391 2.935 ( -1.146 1.984 0.000) 2.291 3.029 ( -0.057 0.098 0.000) 0.113 3.173 ( -3.971 6.878 0.000) 7.942 3.178 ( -1.937 3.355 -0.000) 3.874 3.296 ( 6.792 -11.763 -0.000) 13.583 3.378 ( 5.662 -9.807 0.000) 11.324 3.723 ( 5.372 -9.305 0.000) 10.744 3.724 ( 3.230 -5.594 -0.000) 6.460 4.077 ( 0.630 -1.092 0.000) 1.261 4.179 ( -2.978 5.157 0.000) 5.955 4.332 ( 0.268 -0.464 -0.000) 0.536 4.709 ( -4.784 8.286 0.000) 9.568 4.851 ( -1.353 2.344 -0.000) 2.706 4.891 ( -5.560 9.630 0.000) 11.120 4.898 ( -3.163 5.478 -0.000) 6.325 5.159 ( -8.921 15.452 -0.000) 17.842 5.324 ( -0.443 0.768 0.000) 0.887 5.547 ( 0.713 -1.235 0.000) 1.427 5.682 ( -1.569 2.718 0.000) 3.139 6.077 ( 1.931 -3.344 0.000) 3.861 6.104 ( 3.023 -5.236 -0.000) 6.046 6.525 ( -5.512 9.547 0.000) 11.024 7.022 ( -3.289 5.697 0.000) 6.578 7.462 ( -2.254 3.904 0.000) 4.508 7.625 ( -3.689 6.389 0.000) 7.378 7.628 ( -8.347 14.457 -0.000) 16.694 7.846 ( -2.774 4.805 0.000) 5.548 7.909 ( -1.460 2.528 -0.000) 2.919 8.024 ( 2.873 -4.977 0.000) 5.746 8.322 ( 0.543 -0.941 0.000) 1.086 8.923 ( -3.304 5.722 -0.000) 6.607 9.142 ( 2.459 -4.260 0.000) 4.919 9.249 ( 0.647 -1.121 0.000) 1.294 9.390 ( 5.086 -8.809 0.000) 10.172 9.799 ( -10.893 18.867 0.000) 21.786 10.035 ( 3.964 -6.866 0.000) 7.929 10.139 ( -0.070 0.122 0.000) 0.141 10.264 ( -1.394 2.415 0.000) 2.789 10.470 ( 5.017 -8.690 0.000) 10.034 10.565 ( 5.121 -8.870 0.000) 10.242 10.745 ( 5.005 -8.670 0.000) 10.011 11.590 ( -1.417 2.454 0.000) 2.834 11.661 ( 0.377 -0.653 0.000) 0.754 11.720 ( 0.351 -0.608 0.000) 0.702 12.686 ( -0.372 0.644 0.000) 0.744 12.728 ( -0.733 1.269 -0.000) 1.466 13.189 ( 0.410 -0.710 0.000) 0.820 14.455 ( -2.185 3.785 0.000) 4.370 14.746 ( 4.942 -8.559 0.000) 9.883 14.929 ( 1.448 -2.509 0.000) 2.897 16.768 ( -0.316 0.547 0.000) 0.632 16.879 ( 3.498 -6.059 0.000) 6.996 18.292 ( -2.480 4.295 0.000) 4.960 18.449 ( -1.099 1.903 0.000) 2.198 20.585 ( 0.606 -1.049 0.000) 1.212 20.629 ( 2.354 -4.077 0.000) 4.708 22.491 ( -7.981 13.824 0.000) 15.963 23.067 ( -3.837 6.645 -0.000) 7.673 23.085 ( 3.710 -6.425 0.000) 7.419 23.418 ( 3.450 -5.976 0.000) 6.900 24.988 ( 0.851 -1.474 0.000) 1.702 25.019 ( 1.219 -2.111 0.000) 2.437 ======================= Grid point 288 (50/50) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.131 0.227 0.000) 0.262 2.195 ( 1.458 2.525 0.000) 2.915 2.239 ( -0.496 -0.859 0.000) 0.992 2.542 ( 4.070 7.049 0.000) 8.140 2.617 ( 2.611 4.522 0.000) 5.221 2.670 ( -1.981 -3.431 0.000) 3.962 2.710 ( 0.873 1.511 0.000) 1.745 2.777 ( 4.084 7.074 0.000) 8.168 2.858 ( -2.559 -4.433 0.000) 5.119 2.880 ( -1.083 -1.875 -0.000) 2.165 3.008 ( 2.080 3.603 0.000) 4.161 3.012 ( 2.082 3.606 0.000) 4.164 3.117 ( -4.905 -8.495 0.000) 9.809 3.219 ( 1.184 2.050 0.000) 2.367 3.226 ( -4.759 -8.242 -0.000) 9.517 3.438 ( 0.796 1.379 -0.000) 1.593 3.447 ( 0.467 0.808 0.000) 0.933 3.687 ( -8.270 -14.323 0.000) 16.539 4.062 ( 2.066 3.579 0.000) 4.133 4.252 ( 1.911 3.310 0.000) 3.823 4.314 ( -0.120 -0.208 0.000) 0.240 4.815 ( 3.362 5.823 0.000) 6.724 4.869 ( 0.595 1.031 0.000) 1.191 4.956 ( 4.063 7.037 0.000) 8.126 4.997 ( 3.595 6.227 0.000) 7.191 5.274 ( 2.798 4.847 0.000) 5.596 5.374 ( -2.621 -4.540 0.000) 5.242 5.624 ( 7.064 12.235 -0.000) 14.128 5.709 ( 1.109 1.921 0.000) 2.219 5.870 ( 2.771 4.799 0.000) 5.541 6.108 ( -7.098 -12.294 0.000) 14.195 6.654 ( 3.166 5.484 0.000) 6.332 7.151 ( 2.846 4.930 0.000) 5.692 7.341 ( -2.613 -4.526 0.000) 5.226 7.706 ( 2.268 3.929 0.000) 4.537 7.756 ( 0.653 1.132 -0.000) 1.307 7.880 ( 0.998 1.729 0.000) 1.996 7.915 ( 2.271 3.933 0.000) 4.541 8.183 ( 6.710 11.623 0.000) 13.421 8.305 ( 1.891 3.275 -0.000) 3.781 9.024 ( 1.186 2.054 -0.000) 2.372 9.036 ( -1.664 -2.882 0.000) 3.328 9.224 ( 0.829 1.435 0.000) 1.657 9.282 ( -1.705 -2.954 0.000) 3.410 9.901 ( 2.354 4.077 0.000) 4.708 10.121 ( 5.286 9.156 0.000) 10.573 10.164 ( -1.156 -2.002 0.000) 2.311 10.231 ( 6.944 12.027 0.000) 13.887 10.369 ( 1.303 2.256 0.000) 2.605 10.380 ( -7.182 -12.440 -0.000) 14.364 10.697 ( -12.257 -21.229 0.000) 24.513 11.621 ( 0.993 1.721 0.000) 1.987 11.656 ( -0.423 -0.733 0.000) 0.847 11.711 ( -1.496 -2.591 0.000) 2.992 12.693 ( 1.300 2.251 0.000) 2.599 12.741 ( -0.849 -1.471 0.000) 1.699 13.179 ( 0.583 1.010 0.000) 1.166 14.538 ( -0.119 -0.206 0.000) 0.238 14.616 ( -2.356 -4.080 0.000) 4.711 14.899 ( -2.110 -3.655 0.000) 4.220 16.789 ( -0.598 -1.036 0.000) 1.197 16.800 ( -0.634 -1.097 0.000) 1.267 18.339 ( 1.273 2.205 0.000) 2.546 18.470 ( 0.095 0.164 0.000) 0.190 20.579 ( -0.540 -0.935 -0.000) 1.080 20.581 ( -0.523 -0.906 0.000) 1.047 22.663 ( 8.866 15.357 0.000) 17.733 22.989 ( -5.554 -9.619 0.000) 11.107 23.168 ( 3.187 5.521 0.000) 6.375 23.326 ( -3.112 -5.390 0.000) 6.224 24.973 ( -0.906 -1.569 0.000) 1.812 24.996 ( -1.144 -1.981 0.000) 2.287 =================== 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 3/28800 10.0 1154.537 1154.537 1016.072 -0.000 0.000 -0.000 3/28800 20.0 203.710 203.710 155.176 -0.000 0.000 -0.000 3/28800 30.0 69.739 69.739 50.468 -0.000 0.000 -0.000 3/28800 40.0 37.208 37.208 25.590 -0.000 0.000 -0.000 3/28800 50.0 24.698 24.698 16.271 -0.000 0.000 -0.000 3/28800 60.0 18.408 18.408 11.730 -0.000 0.000 -0.000 3/28800 70.0 14.712 14.712 9.137 -0.000 0.000 -0.000 3/28800 80.0 12.314 12.314 7.491 -0.000 0.000 -0.000 3/28800 90.0 10.643 10.643 6.366 -0.000 0.000 -0.000 3/28800 100.0 9.413 9.413 5.552 -0.000 0.000 -0.000 3/28800 110.0 8.467 8.467 4.936 -0.000 0.000 -0.000 3/28800 120.0 7.715 7.715 4.452 -0.000 0.000 -0.000 3/28800 130.0 7.100 7.100 4.061 -0.000 0.000 -0.000 3/28800 140.0 6.586 6.586 3.738 -0.000 0.000 -0.000 3/28800 150.0 6.147 6.147 3.466 -0.000 0.000 -0.000 3/28800 160.0 5.768 5.768 3.233 -0.000 0.000 -0.000 3/28800 170.0 5.436 5.436 3.030 -0.000 0.000 -0.000 3/28800 180.0 5.143 5.143 2.853 -0.000 0.000 -0.000 3/28800 190.0 4.881 4.881 2.696 -0.000 0.000 -0.000 3/28800 200.0 4.646 4.646 2.556 -0.000 0.000 -0.000 3/28800 210.0 4.433 4.433 2.430 -0.000 0.000 -0.000 3/28800 220.0 4.240 4.240 2.316 -0.000 0.000 -0.000 3/28800 230.0 4.063 4.063 2.213 -0.000 0.000 -0.000 3/28800 240.0 3.901 3.901 2.119 -0.000 0.000 -0.000 3/28800 250.0 3.752 3.752 2.032 -0.000 0.000 -0.000 3/28800 260.0 3.614 3.614 1.953 -0.000 0.000 -0.000 3/28800 270.0 3.486 3.486 1.879 -0.000 0.000 -0.000 3/28800 280.0 3.366 3.366 1.811 -0.000 0.000 -0.000 3/28800 290.0 3.255 3.255 1.748 -0.000 0.000 -0.000 3/28800 300.0 3.151 3.151 1.689 -0.000 0.000 -0.000 3/28800 310.0 3.053 3.053 1.634 -0.000 0.000 -0.000 3/28800 320.0 2.962 2.962 1.582 -0.000 0.000 -0.000 3/28800 330.0 2.875 2.875 1.534 -0.000 0.000 -0.000 3/28800 340.0 2.794 2.794 1.488 -0.000 0.000 -0.000 3/28800 350.0 2.717 2.717 1.445 -0.000 0.000 -0.000 3/28800 360.0 2.644 2.644 1.405 -0.000 0.000 -0.000 3/28800 370.0 2.575 2.575 1.366 -0.000 0.000 -0.000 3/28800 380.0 2.510 2.510 1.330 -0.000 0.000 -0.000 3/28800 390.0 2.448 2.448 1.296 -0.000 0.000 -0.000 3/28800 400.0 2.389 2.389 1.263 -0.000 0.000 -0.000 3/28800 410.0 2.332 2.332 1.232 -0.000 0.000 -0.000 3/28800 420.0 2.278 2.278 1.203 -0.000 0.000 -0.000 3/28800 430.0 2.227 2.227 1.175 -0.000 0.000 -0.000 3/28800 440.0 2.178 2.178 1.148 -0.000 0.000 -0.000 3/28800 450.0 2.131 2.131 1.122 -0.000 0.000 -0.000 3/28800 460.0 2.086 2.086 1.098 -0.000 0.000 -0.000 3/28800 470.0 2.043 2.043 1.074 -0.000 0.000 -0.000 3/28800 480.0 2.001 2.001 1.052 -0.000 0.000 -0.000 3/28800 490.0 1.961 1.961 1.030 -0.000 0.000 -0.000 3/28800 500.0 1.923 1.923 1.010 -0.000 0.000 -0.000 3/28800 510.0 1.886 1.886 0.990 -0.000 0.000 -0.000 3/28800 520.0 1.851 1.851 0.971 -0.000 0.000 -0.000 3/28800 530.0 1.817 1.817 0.952 -0.000 0.000 -0.000 3/28800 540.0 1.784 1.784 0.935 -0.000 0.000 -0.000 3/28800 550.0 1.752 1.752 0.918 -0.000 0.000 -0.000 3/28800 560.0 1.721 1.721 0.901 -0.000 0.000 -0.000 3/28800 570.0 1.692 1.692 0.885 -0.000 0.000 -0.000 3/28800 580.0 1.663 1.663 0.870 -0.000 0.000 -0.000 3/28800 590.0 1.636 1.636 0.855 -0.000 0.000 -0.000 3/28800 600.0 1.609 1.609 0.841 -0.000 0.000 -0.000 3/28800 610.0 1.583 1.583 0.827 -0.000 0.000 -0.000 3/28800 620.0 1.558 1.558 0.814 -0.000 0.000 -0.000 3/28800 630.0 1.534 1.534 0.801 -0.000 0.000 -0.000 3/28800 640.0 1.510 1.510 0.788 -0.000 0.000 -0.000 3/28800 650.0 1.487 1.487 0.776 -0.000 0.000 -0.000 3/28800 660.0 1.465 1.465 0.764 -0.000 0.000 -0.000 3/28800 670.0 1.444 1.444 0.753 -0.000 0.000 -0.000 3/28800 680.0 1.423 1.423 0.742 -0.000 0.000 -0.000 3/28800 690.0 1.402 1.402 0.731 -0.000 0.000 -0.000 3/28800 700.0 1.383 1.383 0.721 -0.000 0.000 -0.000 3/28800 710.0 1.363 1.363 0.710 -0.000 0.000 -0.000 3/28800 720.0 1.345 1.345 0.701 -0.000 0.000 -0.000 3/28800 730.0 1.327 1.327 0.691 -0.000 0.000 -0.000 3/28800 740.0 1.309 1.309 0.682 -0.000 0.000 -0.000 3/28800 750.0 1.292 1.292 0.673 -0.000 0.000 -0.000 3/28800 760.0 1.275 1.275 0.664 -0.000 0.000 -0.000 3/28800 770.0 1.259 1.259 0.655 -0.000 0.000 -0.000 3/28800 780.0 1.243 1.243 0.647 -0.000 0.000 -0.000 3/28800 790.0 1.227 1.227 0.638 -0.000 0.000 -0.000 3/28800 800.0 1.212 1.212 0.630 -0.000 0.000 -0.000 3/28800 810.0 1.197 1.197 0.623 -0.000 0.000 -0.000 3/28800 820.0 1.183 1.183 0.615 -0.000 0.000 -0.000 3/28800 830.0 1.169 1.169 0.608 -0.000 0.000 -0.000 3/28800 840.0 1.155 1.155 0.600 -0.000 0.000 -0.000 3/28800 850.0 1.141 1.141 0.593 -0.000 0.000 -0.000 3/28800 860.0 1.128 1.128 0.586 -0.000 0.000 -0.000 3/28800 870.0 1.116 1.116 0.580 -0.000 0.000 -0.000 3/28800 880.0 1.103 1.103 0.573 -0.000 0.000 -0.000 3/28800 890.0 1.091 1.091 0.567 -0.000 0.000 -0.000 3/28800 900.0 1.079 1.079 0.560 -0.000 0.000 -0.000 3/28800 910.0 1.067 1.067 0.554 -0.000 0.000 -0.000 3/28800 920.0 1.055 1.055 0.548 -0.000 0.000 -0.000 3/28800 930.0 1.044 1.044 0.542 -0.000 0.000 -0.000 3/28800 940.0 1.033 1.033 0.536 -0.000 0.000 -0.000 3/28800 950.0 1.022 1.022 0.531 -0.000 0.000 -0.000 3/28800 960.0 1.012 1.012 0.525 -0.000 0.000 -0.000 3/28800 970.0 1.002 1.002 0.520 -0.000 0.000 -0.000 3/28800 980.0 0.991 0.991 0.515 -0.000 0.000 -0.000 3/28800 990.0 0.982 0.982 0.509 -0.000 0.000 -0.000 3/28800 1000.0 0.972 0.972 0.504 -0.000 0.000 -0.000 3/28800 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:35:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|