----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:11:49]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.834819325000928 -4.605874890000000 0.000000000000000 b 2.834819325000928 4.605874890000000 0.000000000000000 c -2.231728625329251 0.000000000000000 8.677793923250238 Atomic positions (fractional): *1 Li 0.95109000030794 0.29917169320710 0.56056749467097 6.941 *2 Li 0.22705537260856 0.45495500172946 0.95648578586343 6.941 *3 Li 0.66763688998709 0.33236311001291 0.75000000000000 6.941 4 Li 0.29917169320710 0.95109000030794 0.06056749467097 6.941 5 Li 0.45495500172946 0.22705537260856 0.45648578586342 6.941 6 Li 0.54504499827054 0.77294462739144 0.54351421413657 6.941 7 Li 0.70082830679290 0.04890999969206 0.93943250532903 6.941 8 Li 0.33236311001291 0.66763688998709 0.25000000000000 6.941 9 Li 0.77294462739144 0.54504499827054 0.04351421413657 6.941 10 Li 0.04890999969206 0.70082830679290 0.43943250532903 6.941 *11 Nb 0.08680157241096 0.91319842758904 0.75000000000000 92.906 12 Nb 0.91319842758904 0.08680157241096 0.25000000000000 92.906 *13 O 0.01016950909735 0.67025714111312 0.89430958868618 15.999 *14 O 0.79672373430472 0.57246246300121 0.58644927855602 15.999 15 O 0.67025714111312 0.01016950909735 0.39430958868618 15.999 16 O 0.57246246300121 0.79672373430472 0.08644927855602 15.999 *17 O 0.88289301137585 0.11710698862415 0.75000000000000 15.999 18 O 0.11710698862415 0.88289301137585 0.25000000000000 15.999 19 O 0.42753753699879 0.20327626569528 0.91355072144398 15.999 20 O 0.32974285888688 0.98983049090265 0.60569041131382 15.999 21 O 0.20327626569528 0.42753753699879 0.41355072144398 15.999 22 O 0.98983049090265 0.32974285888688 0.10569041131382 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.669638650001857 0.000000000000000 0.000000000000000 b 0.000000000000000 9.211749780000000 0.000000000000000 c -2.231728625329251 0.000000000000000 8.677793923250238 Atomic positions (fractional): *1 Li 0.62513084675752 0.67404084644958 0.56056749467097 6.941 > 1 *2 Li 0.34100518716901 0.11394981456045 0.95648578586343 6.941 > 2 *3 Li 0.50000000000000 0.83236311001291 0.75000000000000 6.941 > 3 4 Li 0.62513084675752 0.32595915355042 0.06056749467097 6.941 > 4 5 Li 0.34100518716901 0.88605018543955 0.45648578586342 6.941 > 5 6 Li 0.65899481283099 0.11394981456045 0.54351421413657 6.941 > 6 7 Li 0.37486915324248 0.67404084644958 0.93943250532903 6.941 > 7 8 Li 0.50000000000000 0.16763688998709 0.25000000000000 6.941 > 8 9 Li 0.65899481283099 0.88605018543955 0.04351421413657 6.941 > 9 10 Li 0.37486915324248 0.32595915355042 0.43943250532903 6.941 > 10 11 Li 0.12513084675752 0.17404084644958 0.56056749467097 6.941 > 1 12 Li 0.84100518716901 0.61394981456045 0.95648578586343 6.941 > 2 13 Li 0.00000000000000 0.33236311001291 0.75000000000000 6.941 > 3 14 Li 0.12513084675752 0.82595915355042 0.06056749467097 6.941 > 4 15 Li 0.84100518716901 0.38605018543955 0.45648578586342 6.941 > 5 16 Li 0.15899481283099 0.61394981456045 0.54351421413657 6.941 > 6 17 Li 0.87486915324248 0.17404084644958 0.93943250532903 6.941 > 7 18 Li 0.00000000000000 0.66763688998709 0.25000000000000 6.941 > 8 19 Li 0.15899481283099 0.38605018543955 0.04351421413657 6.941 > 9 20 Li 0.87486915324248 0.82595915355042 0.43943250532903 6.941 > 10 *21 Nb 0.50000000000000 0.41319842758904 0.75000000000000 92.906 > 11 22 Nb 0.50000000000000 0.58680157241096 0.25000000000000 92.906 > 12 23 Nb 0.00000000000000 0.91319842758904 0.75000000000000 92.906 > 11 24 Nb 0.00000000000000 0.08680157241096 0.25000000000000 92.906 > 12 *25 O 0.34021332510523 0.33004381600789 0.89430958868618 15.999 > 13 *26 O 0.68459309865296 0.88786936434825 0.58644927855602 15.999 > 14 27 O 0.34021332510523 0.66995618399211 0.39430958868618 15.999 > 15 28 O 0.68459309865296 0.11213063565175 0.08644927855602 15.999 > 16 *29 O 0.50000000000000 0.61710698862415 0.75000000000000 15.999 > 17 30 O 0.50000000000000 0.38289301137585 0.25000000000000 15.999 > 18 31 O 0.31540690134704 0.88786936434825 0.91355072144398 15.999 > 19 32 O 0.65978667489477 0.33004381600789 0.60569041131382 15.999 > 20 33 O 0.31540690134704 0.11213063565175 0.41355072144398 15.999 > 21 34 O 0.65978667489477 0.66995618399211 0.10569041131382 15.999 > 22 35 O 0.84021332510523 0.83004381600789 0.89430958868618 15.999 > 13 36 O 0.18459309865296 0.38786936434825 0.58644927855602 15.999 > 14 37 O 0.84021332510523 0.16995618399211 0.39430958868618 15.999 > 15 38 O 0.18459309865296 0.61213063565175 0.08644927855602 15.999 > 16 39 O 0.00000000000000 0.11710698862415 0.75000000000000 15.999 > 17 40 O 0.00000000000000 0.88289301137585 0.25000000000000 15.999 > 18 41 O 0.81540690134704 0.38786936434825 0.91355072144398 15.999 > 19 42 O 0.15978667489477 0.83004381600789 0.60569041131382 15.999 > 20 43 O 0.81540690134704 0.61213063565175 0.41355072144398 15.999 > 21 44 O 0.15978667489477 0.16995618399211 0.10569041131382 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.339277300003713 0.000000000000000 0.000000000000000 b 0.000000000000000 9.211749780000000 0.000000000000000 c -2.231728625329251 0.000000000000000 8.677793923250238 Atomic positions (fractional): *1 Li 0.31256542337876 0.67404084644958 0.56056749467097 6.941 > 1 2 Li 0.81256542337876 0.67404084644958 0.56056749467097 6.941 > 1 *3 Li 0.17050259358450 0.11394981456045 0.95648578586343 6.941 > 2 4 Li 0.67050259358450 0.11394981456045 0.95648578586343 6.941 > 2 *5 Li 0.25000000000000 0.83236311001291 0.75000000000000 6.941 > 3 6 Li 0.75000000000000 0.83236311001291 0.75000000000000 6.941 > 3 7 Li 0.31256542337876 0.32595915355042 0.06056749467097 6.941 > 4 8 Li 0.81256542337876 0.32595915355042 0.06056749467097 6.941 > 4 9 Li 0.17050259358450 0.88605018543955 0.45648578586342 6.941 > 5 10 Li 0.67050259358450 0.88605018543955 0.45648578586342 6.941 > 5 11 Li 0.32949740641550 0.11394981456045 0.54351421413657 6.941 > 6 12 Li 0.82949740641550 0.11394981456045 0.54351421413657 6.941 > 6 13 Li 0.18743457662124 0.67404084644958 0.93943250532903 6.941 > 7 14 Li 0.68743457662124 0.67404084644958 0.93943250532903 6.941 > 7 15 Li 0.25000000000000 0.16763688998709 0.25000000000000 6.941 > 8 16 Li 0.75000000000000 0.16763688998709 0.25000000000000 6.941 > 8 17 Li 0.32949740641550 0.88605018543955 0.04351421413657 6.941 > 9 18 Li 0.82949740641550 0.88605018543955 0.04351421413657 6.941 > 9 19 Li 0.18743457662124 0.32595915355042 0.43943250532903 6.941 > 10 20 Li 0.68743457662124 0.32595915355042 0.43943250532903 6.941 > 10 21 Li 0.06256542337876 0.17404084644958 0.56056749467097 6.941 > 1 22 Li 0.56256542337876 0.17404084644958 0.56056749467097 6.941 > 1 23 Li 0.42050259358450 0.61394981456045 0.95648578586343 6.941 > 2 24 Li 0.92050259358450 0.61394981456045 0.95648578586343 6.941 > 2 25 Li 0.00000000000000 0.33236311001291 0.75000000000000 6.941 > 3 26 Li 0.50000000000000 0.33236311001291 0.75000000000000 6.941 > 3 27 Li 0.06256542337876 0.82595915355042 0.06056749467097 6.941 > 4 28 Li 0.56256542337876 0.82595915355042 0.06056749467097 6.941 > 4 29 Li 0.42050259358450 0.38605018543955 0.45648578586342 6.941 > 5 30 Li 0.92050259358450 0.38605018543955 0.45648578586342 6.941 > 5 31 Li 0.07949740641550 0.61394981456045 0.54351421413657 6.941 > 6 32 Li 0.57949740641550 0.61394981456045 0.54351421413657 6.941 > 6 33 Li 0.43743457662124 0.17404084644958 0.93943250532903 6.941 > 7 34 Li 0.93743457662124 0.17404084644958 0.93943250532903 6.941 > 7 35 Li 0.00000000000000 0.66763688998709 0.25000000000000 6.941 > 8 36 Li 0.50000000000000 0.66763688998709 0.25000000000000 6.941 > 8 37 Li 0.07949740641550 0.38605018543955 0.04351421413657 6.941 > 9 38 Li 0.57949740641550 0.38605018543955 0.04351421413657 6.941 > 9 39 Li 0.43743457662124 0.82595915355042 0.43943250532903 6.941 > 10 40 Li 0.93743457662124 0.82595915355042 0.43943250532903 6.941 > 10 *41 Nb 0.25000000000000 0.41319842758904 0.75000000000000 92.906 > 11 42 Nb 0.75000000000000 0.41319842758904 0.75000000000000 92.906 > 11 43 Nb 0.25000000000000 0.58680157241096 0.25000000000000 92.906 > 12 44 Nb 0.75000000000000 0.58680157241096 0.25000000000000 92.906 > 12 45 Nb 0.00000000000000 0.91319842758904 0.75000000000000 92.906 > 11 46 Nb 0.50000000000000 0.91319842758904 0.75000000000000 92.906 > 11 47 Nb 0.00000000000000 0.08680157241096 0.25000000000000 92.906 > 12 48 Nb 0.50000000000000 0.08680157241096 0.25000000000000 92.906 > 12 *49 O 0.17010666255262 0.33004381600789 0.89430958868618 15.999 > 13 50 O 0.67010666255262 0.33004381600789 0.89430958868618 15.999 > 13 *51 O 0.34229654932648 0.88786936434825 0.58644927855602 15.999 > 14 52 O 0.84229654932648 0.88786936434825 0.58644927855602 15.999 > 14 53 O 0.17010666255262 0.66995618399211 0.39430958868618 15.999 > 15 54 O 0.67010666255262 0.66995618399211 0.39430958868618 15.999 > 15 55 O 0.34229654932648 0.11213063565175 0.08644927855602 15.999 > 16 56 O 0.84229654932648 0.11213063565175 0.08644927855602 15.999 > 16 *57 O 0.25000000000000 0.61710698862415 0.75000000000000 15.999 > 17 58 O 0.75000000000000 0.61710698862415 0.75000000000000 15.999 > 17 59 O 0.25000000000000 0.38289301137585 0.25000000000000 15.999 > 18 60 O 0.75000000000000 0.38289301137585 0.25000000000000 15.999 > 18 61 O 0.15770345067352 0.88786936434825 0.91355072144398 15.999 > 19 62 O 0.65770345067352 0.88786936434825 0.91355072144398 15.999 > 19 63 O 0.32989333744738 0.33004381600789 0.60569041131382 15.999 > 20 64 O 0.82989333744738 0.33004381600789 0.60569041131382 15.999 > 20 65 O 0.15770345067352 0.11213063565175 0.41355072144398 15.999 > 21 66 O 0.65770345067352 0.11213063565175 0.41355072144398 15.999 > 21 67 O 0.32989333744738 0.66995618399211 0.10569041131382 15.999 > 22 68 O 0.82989333744738 0.66995618399211 0.10569041131382 15.999 > 22 69 O 0.42010666255262 0.83004381600789 0.89430958868618 15.999 > 13 70 O 0.92010666255262 0.83004381600789 0.89430958868618 15.999 > 13 71 O 0.09229654932648 0.38786936434825 0.58644927855602 15.999 > 14 72 O 0.59229654932648 0.38786936434825 0.58644927855602 15.999 > 14 73 O 0.42010666255262 0.16995618399211 0.39430958868618 15.999 > 15 74 O 0.92010666255262 0.16995618399211 0.39430958868618 15.999 > 15 75 O 0.09229654932648 0.61213063565175 0.08644927855602 15.999 > 16 76 O 0.59229654932648 0.61213063565175 0.08644927855602 15.999 > 16 77 O 0.00000000000000 0.11710698862415 0.75000000000000 15.999 > 17 78 O 0.50000000000000 0.11710698862415 0.75000000000000 15.999 > 17 79 O 0.00000000000000 0.88289301137585 0.25000000000000 15.999 > 18 80 O 0.50000000000000 0.88289301137585 0.25000000000000 15.999 > 18 81 O 0.40770345067352 0.38786936434825 0.91355072144398 15.999 > 19 82 O 0.90770345067352 0.38786936434825 0.91355072144398 15.999 > 19 83 O 0.07989333744738 0.83004381600789 0.60569041131382 15.999 > 20 84 O 0.57989333744738 0.83004381600789 0.60569041131382 15.999 > 20 85 O 0.40770345067352 0.61213063565175 0.41355072144398 15.999 > 21 86 O 0.90770345067352 0.61213063565175 0.41355072144398 15.999 > 21 87 O 0.07989333744738 0.16995618399211 0.10569041131382 15.999 > 22 88 O 0.57989333744738 0.16995618399211 0.10569041131382 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4751886 0.0000000 0.0866027 0.0000000 3.2523735 0.0000000 0.0865995 0.0000000 3.5727967 -------------------------- Born effective charges -------------------------- 1 Li 0.7659922 0.2161382 -0.1181351 0.2115941 1.0270796 -0.0512621 -0.0842752 0.1570952 1.1346109 2 Li 1.2111072 0.1925826 0.0729891 0.1622004 1.1156495 0.1211017 0.1194223 0.0700944 1.1289327 3 Li 1.4332602 0.0000000 -0.0200805 0.0000000 1.0363768 -0.0000000 -0.0657291 0.0000000 0.7107123 4 Li 0.7659922 -0.2161382 -0.1181351 -0.2115941 1.0270796 0.0512621 -0.0842752 -0.1570952 1.1346109 5 Li 1.2111072 -0.1925826 0.0729891 -0.1622004 1.1156495 -0.1211017 0.1194223 -0.0700944 1.1289327 6 Li 1.2111072 -0.1925826 0.0729891 -0.1622004 1.1156495 -0.1211017 0.1194223 -0.0700944 1.1289327 7 Li 0.7659922 -0.2161382 -0.1181351 -0.2115941 1.0270796 0.0512621 -0.0842752 -0.1570952 1.1346109 8 Li 1.4332602 0.0000000 -0.0200805 0.0000000 1.0363768 -0.0000000 -0.0657291 0.0000000 0.7107123 9 Li 1.2111072 0.1925826 0.0729891 0.1622004 1.1156495 0.1211017 0.1194223 0.0700944 1.1289327 10 Li 0.7659922 0.2161382 -0.1181351 0.2115941 1.0270796 -0.0512621 -0.0842752 0.1570952 1.1346109 11 Nb 4.6868052 0.0000000 0.5806314 0.0000000 3.1242522 -0.0000000 0.5289874 0.0000000 5.1701690 12 Nb 4.6868052 0.0000000 0.5806314 0.0000000 3.1242522 -0.0000000 0.5289874 0.0000000 5.1701690 13 O -2.1714643 -0.5553809 0.6748193 -0.5474374 -1.3632075 0.3752038 0.6385277 0.5956957 -2.2647997 14 O -2.3375051 -0.2348398 -0.8593316 -0.1783458 -1.3893833 -0.0820194 -0.8615200 -0.2104826 -2.3206522 15 O -2.1714643 0.5553809 0.6748193 0.5474374 -1.3632075 -0.3752038 0.6385277 -0.5956957 -2.2647997 16 O -2.3375051 0.2348398 -0.8593316 0.1783458 -1.3893833 0.0820194 -0.8615200 0.2104826 -2.3206522 17 O -1.0563253 0.0000000 -0.1012343 0.0000000 -2.9409057 -0.0000000 -0.0875681 0.0000000 -1.2370646 18 O -1.0563253 0.0000000 -0.1012343 0.0000000 -2.9409057 -0.0000000 -0.0875681 0.0000000 -1.2370646 19 O -2.3375051 0.2348398 -0.8593316 0.1783458 -1.3893833 0.0820194 -0.8615200 0.2104826 -2.3206522 20 O -2.1714643 0.5553809 0.6748193 0.5474374 -1.3632075 -0.3752038 0.6385277 -0.5956957 -2.2647997 21 O -2.3375051 -0.2348398 -0.8593316 -0.1783458 -1.3893833 -0.0820194 -0.8615200 -0.2104826 -2.3206522 22 O -2.1714643 -0.5553809 0.6748193 -0.5474374 -1.3632075 0.3752038 0.6385277 0.5956957 -2.2647997 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 264/264 Permutation basis: 10614/10614 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 502 Use submatrix version of eigh solver. (1) Block: 502 / 502 (2) Block: 250 / 502 (2) 237 eigenvectors found. (2) Block: 502 / 502 (2) 241 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2236), data: False |-- (284, 277), data: True |-- (284, 277), data: True |-- (284, 277), data: True |-- (466, 458), data: True |-- (466, 458), data: True |-- (502, 489), data: False |-- (502, 489), data: False |-- (502, 11), data: (502, 24) @ (24, 11) |-- (252, 241), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.628 Solver_block: 200 / 720 - Time: 0.529 Solver_block: 300 / 720 - Time: 0.517 Solver_block: 400 / 720 - Time: 0.527 Solver_block: 500 / 720 - Time: 0.521 Solver_block: 600 / 720 - Time: 0.529 Solver_block: 700 / 720 - Time: 0.524 Solver_block: 720 / 720 - Time: 0.206 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.064 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 10614/10614 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 502 Use submatrix version of eigh solver. (1) Block: 502 / 502 (2) Block: 250 / 502 (2) 237 eigenvectors found. (2) Block: 502 / 502 (2) 241 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 466 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2236), data: False |-- (284, 277), data: True |-- (284, 277), data: True |-- (284, 277), data: True |-- (466, 458), data: True |-- (466, 458), data: True |-- (502, 489), data: False |-- (502, 489), data: False |-- (502, 11), data: (502, 24) @ (24, 11) |-- (252, 241), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:12:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:12:18]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.834819325000928 -4.605874890000000 0.000000000000000 b 2.834819325000928 4.605874890000000 0.000000000000000 c -2.231728625329251 0.000000000000000 8.677793923250238 Atomic positions (fractional): 1 Li 0.95109000030794 0.29917169320710 0.56056749467097 6.941 2 Li 0.22705537260856 0.45495500172946 0.95648578586343 6.941 3 Li 0.66763688998709 0.33236311001291 0.75000000000000 6.941 4 Li 0.29917169320710 0.95109000030794 0.06056749467097 6.941 5 Li 0.45495500172946 0.22705537260856 0.45648578586342 6.941 6 Li 0.54504499827054 0.77294462739144 0.54351421413657 6.941 7 Li 0.70082830679290 0.04890999969206 0.93943250532903 6.941 8 Li 0.33236311001291 0.66763688998709 0.25000000000000 6.941 9 Li 0.77294462739144 0.54504499827054 0.04351421413657 6.941 10 Li 0.04890999969206 0.70082830679290 0.43943250532903 6.941 11 Nb 0.08680157241096 0.91319842758904 0.75000000000000 92.906 12 Nb 0.91319842758904 0.08680157241096 0.25000000000000 92.906 13 O 0.01016950909735 0.67025714111312 0.89430958868618 15.999 14 O 0.79672373430472 0.57246246300121 0.58644927855602 15.999 15 O 0.67025714111312 0.01016950909735 0.39430958868618 15.999 16 O 0.57246246300121 0.79672373430472 0.08644927855602 15.999 17 O 0.88289301137585 0.11710698862415 0.75000000000000 15.999 18 O 0.11710698862415 0.88289301137585 0.25000000000000 15.999 19 O 0.42753753699879 0.20327626569528 0.91355072144398 15.999 20 O 0.32974285888688 0.98983049090265 0.60569041131382 15.999 21 O 0.20327626569528 0.42753753699879 0.41355072144398 15.999 22 O 0.98983049090265 0.32974285888688 0.10569041131382 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.339277300003713 0.000000000000000 0.000000000000000 b 0.000000000000000 9.211749780000000 0.000000000000000 c -2.231728625329251 0.000000000000000 8.677793923250238 Atomic positions (fractional): 1 Li 0.31256542337876 0.67404084644958 0.56056749467097 6.941 > 1 2 Li 0.81256542337876 0.67404084644958 0.56056749467097 6.941 > 1 3 Li 0.17050259358450 0.11394981456045 0.95648578586343 6.941 > 3 4 Li 0.67050259358450 0.11394981456045 0.95648578586343 6.941 > 3 5 Li 0.25000000000000 0.83236311001291 0.75000000000000 6.941 > 5 6 Li 0.75000000000000 0.83236311001291 0.75000000000000 6.941 > 5 7 Li 0.31256542337876 0.32595915355042 0.06056749467097 6.941 > 7 8 Li 0.81256542337876 0.32595915355042 0.06056749467097 6.941 > 7 9 Li 0.17050259358450 0.88605018543955 0.45648578586342 6.941 > 9 10 Li 0.67050259358450 0.88605018543955 0.45648578586342 6.941 > 9 11 Li 0.32949740641550 0.11394981456045 0.54351421413657 6.941 > 11 12 Li 0.82949740641550 0.11394981456045 0.54351421413657 6.941 > 11 13 Li 0.18743457662124 0.67404084644958 0.93943250532903 6.941 > 13 14 Li 0.68743457662124 0.67404084644958 0.93943250532903 6.941 > 13 15 Li 0.25000000000000 0.16763688998709 0.25000000000000 6.941 > 15 16 Li 0.75000000000000 0.16763688998709 0.25000000000000 6.941 > 15 17 Li 0.32949740641550 0.88605018543955 0.04351421413657 6.941 > 17 18 Li 0.82949740641550 0.88605018543955 0.04351421413657 6.941 > 17 19 Li 0.18743457662124 0.32595915355042 0.43943250532903 6.941 > 19 20 Li 0.68743457662124 0.32595915355042 0.43943250532903 6.941 > 19 21 Li 0.06256542337876 0.17404084644958 0.56056749467097 6.941 > 1 22 Li 0.56256542337876 0.17404084644958 0.56056749467097 6.941 > 1 23 Li 0.42050259358450 0.61394981456045 0.95648578586343 6.941 > 3 24 Li 0.92050259358450 0.61394981456045 0.95648578586343 6.941 > 3 25 Li 0.00000000000000 0.33236311001291 0.75000000000000 6.941 > 5 26 Li 0.50000000000000 0.33236311001291 0.75000000000000 6.941 > 5 27 Li 0.06256542337876 0.82595915355042 0.06056749467097 6.941 > 7 28 Li 0.56256542337876 0.82595915355042 0.06056749467097 6.941 > 7 29 Li 0.42050259358450 0.38605018543955 0.45648578586342 6.941 > 9 30 Li 0.92050259358450 0.38605018543955 0.45648578586342 6.941 > 9 31 Li 0.07949740641550 0.61394981456045 0.54351421413657 6.941 > 11 32 Li 0.57949740641550 0.61394981456045 0.54351421413657 6.941 > 11 33 Li 0.43743457662124 0.17404084644958 0.93943250532903 6.941 > 13 34 Li 0.93743457662124 0.17404084644958 0.93943250532903 6.941 > 13 35 Li 0.00000000000000 0.66763688998709 0.25000000000000 6.941 > 15 36 Li 0.50000000000000 0.66763688998709 0.25000000000000 6.941 > 15 37 Li 0.07949740641550 0.38605018543955 0.04351421413657 6.941 > 17 38 Li 0.57949740641550 0.38605018543955 0.04351421413657 6.941 > 17 39 Li 0.43743457662124 0.82595915355042 0.43943250532903 6.941 > 19 40 Li 0.93743457662124 0.82595915355042 0.43943250532903 6.941 > 19 41 Nb 0.25000000000000 0.41319842758904 0.75000000000000 92.906 > 41 42 Nb 0.75000000000000 0.41319842758904 0.75000000000000 92.906 > 41 43 Nb 0.25000000000000 0.58680157241096 0.25000000000000 92.906 > 43 44 Nb 0.75000000000000 0.58680157241096 0.25000000000000 92.906 > 43 45 Nb 0.00000000000000 0.91319842758904 0.75000000000000 92.906 > 41 46 Nb 0.50000000000000 0.91319842758904 0.75000000000000 92.906 > 41 47 Nb 0.00000000000000 0.08680157241096 0.25000000000000 92.906 > 43 48 Nb 0.50000000000000 0.08680157241096 0.25000000000000 92.906 > 43 49 O 0.17010666255262 0.33004381600789 0.89430958868618 15.999 > 49 50 O 0.67010666255262 0.33004381600789 0.89430958868618 15.999 > 49 51 O 0.34229654932648 0.88786936434825 0.58644927855602 15.999 > 51 52 O 0.84229654932648 0.88786936434825 0.58644927855602 15.999 > 51 53 O 0.17010666255262 0.66995618399211 0.39430958868618 15.999 > 53 54 O 0.67010666255262 0.66995618399211 0.39430958868618 15.999 > 53 55 O 0.34229654932648 0.11213063565175 0.08644927855602 15.999 > 55 56 O 0.84229654932648 0.11213063565175 0.08644927855602 15.999 > 55 57 O 0.25000000000000 0.61710698862415 0.75000000000000 15.999 > 57 58 O 0.75000000000000 0.61710698862415 0.75000000000000 15.999 > 57 59 O 0.25000000000000 0.38289301137585 0.25000000000000 15.999 > 59 60 O 0.75000000000000 0.38289301137585 0.25000000000000 15.999 > 59 61 O 0.15770345067352 0.88786936434825 0.91355072144398 15.999 > 61 62 O 0.65770345067352 0.88786936434825 0.91355072144398 15.999 > 61 63 O 0.32989333744738 0.33004381600789 0.60569041131382 15.999 > 63 64 O 0.82989333744738 0.33004381600789 0.60569041131382 15.999 > 63 65 O 0.15770345067352 0.11213063565175 0.41355072144398 15.999 > 65 66 O 0.65770345067352 0.11213063565175 0.41355072144398 15.999 > 65 67 O 0.32989333744738 0.66995618399211 0.10569041131382 15.999 > 67 68 O 0.82989333744738 0.66995618399211 0.10569041131382 15.999 > 67 69 O 0.42010666255262 0.83004381600789 0.89430958868618 15.999 > 49 70 O 0.92010666255262 0.83004381600789 0.89430958868618 15.999 > 49 71 O 0.09229654932648 0.38786936434825 0.58644927855602 15.999 > 51 72 O 0.59229654932648 0.38786936434825 0.58644927855602 15.999 > 51 73 O 0.42010666255262 0.16995618399211 0.39430958868618 15.999 > 53 74 O 0.92010666255262 0.16995618399211 0.39430958868618 15.999 > 53 75 O 0.09229654932648 0.61213063565175 0.08644927855602 15.999 > 55 76 O 0.59229654932648 0.61213063565175 0.08644927855602 15.999 > 55 77 O 0.00000000000000 0.11710698862415 0.75000000000000 15.999 > 57 78 O 0.50000000000000 0.11710698862415 0.75000000000000 15.999 > 57 79 O 0.00000000000000 0.88289301137585 0.25000000000000 15.999 > 59 80 O 0.50000000000000 0.88289301137585 0.25000000000000 15.999 > 59 81 O 0.40770345067352 0.38786936434825 0.91355072144398 15.999 > 61 82 O 0.90770345067352 0.38786936434825 0.91355072144398 15.999 > 61 83 O 0.07989333744738 0.83004381600789 0.60569041131382 15.999 > 63 84 O 0.57989333744738 0.83004381600789 0.60569041131382 15.999 > 63 85 O 0.40770345067352 0.61213063565175 0.41355072144398 15.999 > 65 86 O 0.90770345067352 0.61213063565175 0.41355072144398 15.999 > 65 87 O 0.07989333744738 0.16995618399211 0.10569041131382 15.999 > 67 88 O 0.57989333744738 0.16995618399211 0.10569041131382 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4751886 0.0000000 0.0866027 0.0000000 3.2523735 0.0000000 0.0865995 0.0000000 3.5727967 -------------------------- Born effective charges -------------------------- 1 Li 0.7659922 0.2161382 -0.1181351 0.2115941 1.0270796 -0.0512621 -0.0842752 0.1570952 1.1346109 2 Li 1.2111072 0.1925826 0.0729891 0.1622004 1.1156495 0.1211017 0.1194223 0.0700944 1.1289327 3 Li 1.4332602 0.0000000 -0.0200805 0.0000000 1.0363768 -0.0000000 -0.0657291 0.0000000 0.7107123 4 Li 0.7659922 -0.2161382 -0.1181351 -0.2115941 1.0270796 0.0512621 -0.0842752 -0.1570952 1.1346109 5 Li 1.2111072 -0.1925826 0.0729891 -0.1622004 1.1156495 -0.1211017 0.1194223 -0.0700944 1.1289327 6 Li 1.2111072 -0.1925826 0.0729891 -0.1622004 1.1156495 -0.1211017 0.1194223 -0.0700944 1.1289327 7 Li 0.7659922 -0.2161382 -0.1181351 -0.2115941 1.0270796 0.0512621 -0.0842752 -0.1570952 1.1346109 8 Li 1.4332602 0.0000000 -0.0200805 0.0000000 1.0363768 -0.0000000 -0.0657291 0.0000000 0.7107123 9 Li 1.2111072 0.1925826 0.0729891 0.1622004 1.1156495 0.1211017 0.1194223 0.0700944 1.1289327 10 Li 0.7659922 0.2161382 -0.1181351 0.2115941 1.0270796 -0.0512621 -0.0842752 0.1570952 1.1346109 11 Nb 4.6868052 0.0000000 0.5806314 0.0000000 3.1242522 -0.0000000 0.5289874 0.0000000 5.1701690 12 Nb 4.6868052 0.0000000 0.5806314 0.0000000 3.1242522 -0.0000000 0.5289874 0.0000000 5.1701690 13 O -2.1714643 -0.5553809 0.6748193 -0.5474374 -1.3632075 0.3752038 0.6385277 0.5956957 -2.2647997 14 O -2.3375051 -0.2348398 -0.8593316 -0.1783458 -1.3893833 -0.0820194 -0.8615200 -0.2104826 -2.3206522 15 O -2.1714643 0.5553809 0.6748193 0.5474374 -1.3632075 -0.3752038 0.6385277 -0.5956957 -2.2647997 16 O -2.3375051 0.2348398 -0.8593316 0.1783458 -1.3893833 0.0820194 -0.8615200 0.2104826 -2.3206522 17 O -1.0563253 0.0000000 -0.1012343 0.0000000 -2.9409057 -0.0000000 -0.0875681 0.0000000 -1.2370646 18 O -1.0563253 0.0000000 -0.1012343 0.0000000 -2.9409057 -0.0000000 -0.0875681 0.0000000 -1.2370646 19 O -2.3375051 0.2348398 -0.8593316 0.1783458 -1.3893833 0.0820194 -0.8615200 0.2104826 -2.3206522 20 O -2.1714643 0.5553809 0.6748193 0.5474374 -1.3632075 -0.3752038 0.6385277 -0.5956957 -2.2647997 21 O -2.3375051 -0.2348398 -0.8593316 -0.1783458 -1.3893833 -0.0820194 -0.8615200 -0.2104826 -2.3206522 22 O -2.1714643 -0.5553809 0.6748193 -0.5474374 -1.3632075 0.3752038 0.6385277 0.5956957 -2.2647997 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 2026-01-09 02:12:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:12:38]------------------------- 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 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.834819325000928 -4.605874890000000 0.000000000000000 b 2.834819325000928 4.605874890000000 0.000000000000000 c -2.231728625329251 0.000000000000000 8.677793923250238 Atomic positions (fractional): 1 Li 0.95109000030794 0.29917169320710 0.56056749467097 6.941 2 Li 0.22705537260856 0.45495500172946 0.95648578586343 6.941 3 Li 0.66763688998709 0.33236311001291 0.75000000000000 6.941 4 Li 0.29917169320710 0.95109000030794 0.06056749467097 6.941 5 Li 0.45495500172946 0.22705537260856 0.45648578586342 6.941 6 Li 0.54504499827054 0.77294462739144 0.54351421413657 6.941 7 Li 0.70082830679290 0.04890999969206 0.93943250532903 6.941 8 Li 0.33236311001291 0.66763688998709 0.25000000000000 6.941 9 Li 0.77294462739144 0.54504499827054 0.04351421413657 6.941 10 Li 0.04890999969206 0.70082830679290 0.43943250532903 6.941 11 Nb 0.08680157241096 0.91319842758904 0.75000000000000 92.906 12 Nb 0.91319842758904 0.08680157241096 0.25000000000000 92.906 13 O 0.01016950909735 0.67025714111312 0.89430958868618 15.999 14 O 0.79672373430472 0.57246246300121 0.58644927855602 15.999 15 O 0.67025714111312 0.01016950909735 0.39430958868618 15.999 16 O 0.57246246300121 0.79672373430472 0.08644927855602 15.999 17 O 0.88289301137585 0.11710698862415 0.75000000000000 15.999 18 O 0.11710698862415 0.88289301137585 0.25000000000000 15.999 19 O 0.42753753699879 0.20327626569528 0.91355072144398 15.999 20 O 0.32974285888688 0.98983049090265 0.60569041131382 15.999 21 O 0.20327626569528 0.42753753699879 0.41355072144398 15.999 22 O 0.98983049090265 0.32974285888688 0.10569041131382 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.339277300003713 0.000000000000000 0.000000000000000 b 0.000000000000000 9.211749780000000 0.000000000000000 c -2.231728625329251 0.000000000000000 8.677793923250238 Atomic positions (fractional): 1 Li 0.31256542337876 0.67404084644958 0.56056749467097 6.941 > 1 2 Li 0.81256542337876 0.67404084644958 0.56056749467097 6.941 > 1 3 Li 0.17050259358450 0.11394981456045 0.95648578586343 6.941 > 3 4 Li 0.67050259358450 0.11394981456045 0.95648578586343 6.941 > 3 5 Li 0.25000000000000 0.83236311001291 0.75000000000000 6.941 > 5 6 Li 0.75000000000000 0.83236311001291 0.75000000000000 6.941 > 5 7 Li 0.31256542337876 0.32595915355042 0.06056749467097 6.941 > 7 8 Li 0.81256542337876 0.32595915355042 0.06056749467097 6.941 > 7 9 Li 0.17050259358450 0.88605018543955 0.45648578586342 6.941 > 9 10 Li 0.67050259358450 0.88605018543955 0.45648578586342 6.941 > 9 11 Li 0.32949740641550 0.11394981456045 0.54351421413657 6.941 > 11 12 Li 0.82949740641550 0.11394981456045 0.54351421413657 6.941 > 11 13 Li 0.18743457662124 0.67404084644958 0.93943250532903 6.941 > 13 14 Li 0.68743457662124 0.67404084644958 0.93943250532903 6.941 > 13 15 Li 0.25000000000000 0.16763688998709 0.25000000000000 6.941 > 15 16 Li 0.75000000000000 0.16763688998709 0.25000000000000 6.941 > 15 17 Li 0.32949740641550 0.88605018543955 0.04351421413657 6.941 > 17 18 Li 0.82949740641550 0.88605018543955 0.04351421413657 6.941 > 17 19 Li 0.18743457662124 0.32595915355042 0.43943250532903 6.941 > 19 20 Li 0.68743457662124 0.32595915355042 0.43943250532903 6.941 > 19 21 Li 0.06256542337876 0.17404084644958 0.56056749467097 6.941 > 1 22 Li 0.56256542337876 0.17404084644958 0.56056749467097 6.941 > 1 23 Li 0.42050259358450 0.61394981456045 0.95648578586343 6.941 > 3 24 Li 0.92050259358450 0.61394981456045 0.95648578586343 6.941 > 3 25 Li 0.00000000000000 0.33236311001291 0.75000000000000 6.941 > 5 26 Li 0.50000000000000 0.33236311001291 0.75000000000000 6.941 > 5 27 Li 0.06256542337876 0.82595915355042 0.06056749467097 6.941 > 7 28 Li 0.56256542337876 0.82595915355042 0.06056749467097 6.941 > 7 29 Li 0.42050259358450 0.38605018543955 0.45648578586342 6.941 > 9 30 Li 0.92050259358450 0.38605018543955 0.45648578586342 6.941 > 9 31 Li 0.07949740641550 0.61394981456045 0.54351421413657 6.941 > 11 32 Li 0.57949740641550 0.61394981456045 0.54351421413657 6.941 > 11 33 Li 0.43743457662124 0.17404084644958 0.93943250532903 6.941 > 13 34 Li 0.93743457662124 0.17404084644958 0.93943250532903 6.941 > 13 35 Li 0.00000000000000 0.66763688998709 0.25000000000000 6.941 > 15 36 Li 0.50000000000000 0.66763688998709 0.25000000000000 6.941 > 15 37 Li 0.07949740641550 0.38605018543955 0.04351421413657 6.941 > 17 38 Li 0.57949740641550 0.38605018543955 0.04351421413657 6.941 > 17 39 Li 0.43743457662124 0.82595915355042 0.43943250532903 6.941 > 19 40 Li 0.93743457662124 0.82595915355042 0.43943250532903 6.941 > 19 41 Nb 0.25000000000000 0.41319842758904 0.75000000000000 92.906 > 41 42 Nb 0.75000000000000 0.41319842758904 0.75000000000000 92.906 > 41 43 Nb 0.25000000000000 0.58680157241096 0.25000000000000 92.906 > 43 44 Nb 0.75000000000000 0.58680157241096 0.25000000000000 92.906 > 43 45 Nb 0.00000000000000 0.91319842758904 0.75000000000000 92.906 > 41 46 Nb 0.50000000000000 0.91319842758904 0.75000000000000 92.906 > 41 47 Nb 0.00000000000000 0.08680157241096 0.25000000000000 92.906 > 43 48 Nb 0.50000000000000 0.08680157241096 0.25000000000000 92.906 > 43 49 O 0.17010666255262 0.33004381600789 0.89430958868618 15.999 > 49 50 O 0.67010666255262 0.33004381600789 0.89430958868618 15.999 > 49 51 O 0.34229654932648 0.88786936434825 0.58644927855602 15.999 > 51 52 O 0.84229654932648 0.88786936434825 0.58644927855602 15.999 > 51 53 O 0.17010666255262 0.66995618399211 0.39430958868618 15.999 > 53 54 O 0.67010666255262 0.66995618399211 0.39430958868618 15.999 > 53 55 O 0.34229654932648 0.11213063565175 0.08644927855602 15.999 > 55 56 O 0.84229654932648 0.11213063565175 0.08644927855602 15.999 > 55 57 O 0.25000000000000 0.61710698862415 0.75000000000000 15.999 > 57 58 O 0.75000000000000 0.61710698862415 0.75000000000000 15.999 > 57 59 O 0.25000000000000 0.38289301137585 0.25000000000000 15.999 > 59 60 O 0.75000000000000 0.38289301137585 0.25000000000000 15.999 > 59 61 O 0.15770345067352 0.88786936434825 0.91355072144398 15.999 > 61 62 O 0.65770345067352 0.88786936434825 0.91355072144398 15.999 > 61 63 O 0.32989333744738 0.33004381600789 0.60569041131382 15.999 > 63 64 O 0.82989333744738 0.33004381600789 0.60569041131382 15.999 > 63 65 O 0.15770345067352 0.11213063565175 0.41355072144398 15.999 > 65 66 O 0.65770345067352 0.11213063565175 0.41355072144398 15.999 > 65 67 O 0.32989333744738 0.66995618399211 0.10569041131382 15.999 > 67 68 O 0.82989333744738 0.66995618399211 0.10569041131382 15.999 > 67 69 O 0.42010666255262 0.83004381600789 0.89430958868618 15.999 > 49 70 O 0.92010666255262 0.83004381600789 0.89430958868618 15.999 > 49 71 O 0.09229654932648 0.38786936434825 0.58644927855602 15.999 > 51 72 O 0.59229654932648 0.38786936434825 0.58644927855602 15.999 > 51 73 O 0.42010666255262 0.16995618399211 0.39430958868618 15.999 > 53 74 O 0.92010666255262 0.16995618399211 0.39430958868618 15.999 > 53 75 O 0.09229654932648 0.61213063565175 0.08644927855602 15.999 > 55 76 O 0.59229654932648 0.61213063565175 0.08644927855602 15.999 > 55 77 O 0.00000000000000 0.11710698862415 0.75000000000000 15.999 > 57 78 O 0.50000000000000 0.11710698862415 0.75000000000000 15.999 > 57 79 O 0.00000000000000 0.88289301137585 0.25000000000000 15.999 > 59 80 O 0.50000000000000 0.88289301137585 0.25000000000000 15.999 > 59 81 O 0.40770345067352 0.38786936434825 0.91355072144398 15.999 > 61 82 O 0.90770345067352 0.38786936434825 0.91355072144398 15.999 > 61 83 O 0.07989333744738 0.83004381600789 0.60569041131382 15.999 > 63 84 O 0.57989333744738 0.83004381600789 0.60569041131382 15.999 > 63 85 O 0.40770345067352 0.61213063565175 0.41355072144398 15.999 > 65 86 O 0.90770345067352 0.61213063565175 0.41355072144398 15.999 > 65 87 O 0.07989333744738 0.16995618399211 0.10569041131382 15.999 > 67 88 O 0.57989333744738 0.16995618399211 0.10569041131382 15.999 > 67 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4751886 0.0000000 0.0866027 0.0000000 3.2523735 0.0000000 0.0865995 0.0000000 3.5727967 -------------------------- Born effective charges -------------------------- 1 Li 0.7659922 0.2161382 -0.1181351 0.2115941 1.0270796 -0.0512621 -0.0842752 0.1570952 1.1346109 2 Li 1.2111072 0.1925826 0.0729891 0.1622004 1.1156495 0.1211017 0.1194223 0.0700944 1.1289327 3 Li 1.4332602 0.0000000 -0.0200805 0.0000000 1.0363768 -0.0000000 -0.0657291 0.0000000 0.7107123 4 Li 0.7659922 -0.2161382 -0.1181351 -0.2115941 1.0270796 0.0512621 -0.0842752 -0.1570952 1.1346109 5 Li 1.2111072 -0.1925826 0.0729891 -0.1622004 1.1156495 -0.1211017 0.1194223 -0.0700944 1.1289327 6 Li 1.2111072 -0.1925826 0.0729891 -0.1622004 1.1156495 -0.1211017 0.1194223 -0.0700944 1.1289327 7 Li 0.7659922 -0.2161382 -0.1181351 -0.2115941 1.0270796 0.0512621 -0.0842752 -0.1570952 1.1346109 8 Li 1.4332602 0.0000000 -0.0200805 0.0000000 1.0363768 -0.0000000 -0.0657291 0.0000000 0.7107123 9 Li 1.2111072 0.1925826 0.0729891 0.1622004 1.1156495 0.1211017 0.1194223 0.0700944 1.1289327 10 Li 0.7659922 0.2161382 -0.1181351 0.2115941 1.0270796 -0.0512621 -0.0842752 0.1570952 1.1346109 11 Nb 4.6868052 0.0000000 0.5806314 0.0000000 3.1242522 -0.0000000 0.5289874 0.0000000 5.1701690 12 Nb 4.6868052 0.0000000 0.5806314 0.0000000 3.1242522 -0.0000000 0.5289874 0.0000000 5.1701690 13 O -2.1714643 -0.5553809 0.6748193 -0.5474374 -1.3632075 0.3752038 0.6385277 0.5956957 -2.2647997 14 O -2.3375051 -0.2348398 -0.8593316 -0.1783458 -1.3893833 -0.0820194 -0.8615200 -0.2104826 -2.3206522 15 O -2.1714643 0.5553809 0.6748193 0.5474374 -1.3632075 -0.3752038 0.6385277 -0.5956957 -2.2647997 16 O -2.3375051 0.2348398 -0.8593316 0.1783458 -1.3893833 0.0820194 -0.8615200 0.2104826 -2.3206522 17 O -1.0563253 0.0000000 -0.1012343 0.0000000 -2.9409057 -0.0000000 -0.0875681 0.0000000 -1.2370646 18 O -1.0563253 0.0000000 -0.1012343 0.0000000 -2.9409057 -0.0000000 -0.0875681 0.0000000 -1.2370646 19 O -2.3375051 0.2348398 -0.8593316 0.1783458 -1.3893833 0.0820194 -0.8615200 0.2104826 -2.3206522 20 O -2.1714643 0.5553809 0.6748193 0.5474374 -1.3632075 -0.3752038 0.6385277 -0.5956957 -2.2647997 21 O -2.3375051 -0.2348398 -0.8593316 -0.1783458 -1.3893833 -0.0820194 -0.8615200 -0.2104826 -2.3206522 22 O -2.1714643 -0.5553809 0.6748193 -0.5474374 -1.3632075 0.3752038 0.6385277 0.5956957 -2.2647997 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 6 ] 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: 0.68, Number of G-points: 301, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/204) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 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 2.434 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.284 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.645 ( 0.000 0.000 0.000) 0.000 7.769 ( 0.000 0.000 0.000) 0.000 7.946 ( 0.000 0.000 0.000) 0.000 8.873 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.446 ( 0.000 0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 10.477 ( 0.000 0.000 0.000) 0.000 10.872 ( 0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.369 ( 0.000 0.000 0.000) 0.000 11.539 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.588 ( 0.000 0.000 0.000) 0.000 11.784 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 11.833 ( 0.000 0.000 0.000) 0.000 12.010 ( 0.000 0.000 0.000) 0.000 12.483 ( 0.000 0.000 0.000) 0.000 12.565 ( 0.000 0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 13.147 ( 0.000 0.000 0.000) 0.000 13.463 ( 0.000 0.000 0.000) 0.000 13.690 ( 0.000 0.000 0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.181 ( 0.000 0.000 0.000) 0.000 14.911 ( 0.000 0.000 0.000) 0.000 14.960 ( 0.000 0.000 0.000) 0.000 15.013 ( 0.000 0.000 0.000) 0.000 15.039 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 0.000) 0.000 15.617 ( 0.000 0.000 0.000) 0.000 16.414 ( 0.000 0.000 0.000) 0.000 17.436 ( 0.000 0.000 0.000) 0.000 17.611 ( 0.000 0.000 0.000) 0.000 18.097 ( 0.000 0.000 0.000) 0.000 18.196 ( 0.000 0.000 0.000) 0.000 19.789 ( 0.000 0.000 0.000) 0.000 21.516 ( 0.000 0.000 0.000) 0.000 22.263 ( 0.000 0.000 0.000) 0.000 23.122 ( 0.000 0.000 0.000) 0.000 23.667 ( 0.000 0.000 0.000) 0.000 23.877 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/204) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 31.360 -14.752 1.647) 34.696 0.730 ( 29.902 -16.777 22.227) 40.861 1.395 ( 63.361 -27.538 14.248) 70.541 2.550 ( 7.360 -11.498 0.007) 13.652 4.157 ( -7.408 4.981 0.487) 8.940 4.429 ( 7.475 3.871 -10.043) 13.104 4.691 ( 7.555 -0.843 6.670) 10.113 4.865 ( 3.977 -2.812 -3.309) 5.888 5.148 ( 8.821 7.397 -2.491) 11.778 5.900 ( 0.391 -0.442 8.643) 8.663 6.534 ( 2.064 4.926 -3.992) 6.668 6.735 ( -1.193 2.436 3.871) 4.726 6.874 ( -13.044 -9.550 -11.290) 19.718 7.455 ( 6.963 3.680 2.963) 8.415 7.508 ( 1.789 -3.353 6.546) 7.569 7.701 ( -6.262 -2.769 0.709) 6.883 7.924 ( 11.258 18.234 11.023) 24.098 8.254 ( 2.100 -8.692 5.323) 10.407 8.841 ( -0.880 7.215 6.721) 9.900 9.110 ( -0.903 12.253 14.001) 18.628 9.281 ( -0.247 4.138 9.544) 10.405 9.346 ( -8.749 7.381 2.665) 11.752 9.446 ( 1.774 -0.940 -6.637) 6.934 9.653 ( -1.860 -3.060 6.414) 7.346 9.859 ( -5.043 4.178 4.080) 7.716 9.983 ( -1.598 -4.613 -1.605) 5.139 10.153 ( 13.366 0.876 -0.782) 13.417 10.485 ( -0.227 1.690 -2.829) 3.303 10.766 ( -7.100 3.061 -5.300) 9.374 10.865 ( -4.156 -1.284 2.354) 4.947 11.106 ( -5.399 -9.294 1.503) 10.853 11.293 ( -8.676 8.070 8.503) 14.585 11.546 ( -1.849 9.417 -2.572) 9.935 11.563 ( -1.676 -1.438 0.191) 2.217 11.778 ( 0.588 -3.246 -3.908) 5.114 11.801 ( 3.746 -1.081 -10.618) 11.311 11.865 ( 12.287 5.677 -6.885) 15.185 11.927 ( 8.113 -6.749 1.553) 10.667 12.227 ( -4.611 -11.720 -4.740) 13.456 12.496 ( -0.241 -1.949 10.615) 10.795 12.740 ( 10.365 -1.025 0.850) 10.450 13.071 ( -2.321 0.840 0.044) 2.469 13.228 ( 0.425 -11.716 2.805) 12.055 13.475 ( -0.334 -2.263 0.929) 2.469 13.642 ( -7.074 0.504 0.675) 7.124 14.087 ( -2.991 0.001 -1.240) 3.238 14.173 ( -3.980 -5.660 -1.127) 7.011 14.517 ( 5.631 3.717 -31.813) 32.520 14.828 ( -2.352 7.094 -1.999) 7.736 14.947 ( -3.050 0.114 0.260) 3.063 15.056 ( -0.947 -8.414 -5.835) 10.283 15.286 ( -2.483 -1.636 5.113) 5.915 15.373 ( 5.163 -1.502 -6.913) 8.758 15.590 ( -2.483 0.083 -1.517) 2.911 16.362 ( 5.223 10.832 7.346) 14.091 16.962 ( -6.214 3.014 12.818) 14.560 17.660 ( 4.231 0.796 5.173) 6.730 17.965 ( 2.808 17.226 8.021) 19.208 18.145 ( -2.570 8.890 11.457) 14.728 18.671 ( -26.574 8.912 129.335) 132.337 21.008 ( 79.653 113.785 -60.347) 151.438 21.571 ( 6.329 0.313 -0.545) 6.360 22.961 ( -15.125 -0.671 -5.786) 16.207 23.458 ( 1.705 -10.251 -9.854) 14.321 23.902 ( 1.592 -2.427 -0.051) 2.903 24.085 ( -26.829 -62.093 -30.916) 74.372 ======================= Grid point 2 (3/204) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 27.584 -11.268 -1.117) 29.818 1.472 ( 30.812 -16.811 20.073) 40.434 2.582 ( 39.129 -22.005 7.940) 45.589 2.932 ( 24.630 -21.580 4.663) 33.077 4.013 ( -2.168 3.067 -10.858) 11.489 4.425 ( 6.844 9.578 -9.483) 15.116 4.804 ( 3.602 6.963 13.419) 15.541 4.980 ( 8.076 -9.301 -16.168) 20.326 5.318 ( 15.160 1.982 6.683) 16.685 5.927 ( 2.164 3.285 5.067) 6.415 6.439 ( -4.929 4.125 0.408) 6.440 6.604 ( -8.467 -6.525 -7.237) 12.909 6.943 ( 2.636 -5.704 4.926) 7.984 7.501 ( -1.657 0.362 0.948) 1.943 7.600 ( 9.883 -1.488 3.907) 10.730 7.684 ( 0.913 2.147 0.229) 2.344 7.938 ( 6.903 16.031 7.599) 19.037 8.398 ( 5.149 -4.380 1.074) 6.845 8.768 ( -2.299 9.888 9.854) 14.148 9.010 ( -2.959 8.100 5.921) 10.460 9.100 ( -11.221 3.143 -4.168) 12.375 9.259 ( -1.519 6.050 7.787) 9.978 9.493 ( 5.305 2.341 -10.458) 11.958 9.659 ( -6.599 -6.953 4.715) 10.683 9.754 ( -3.096 4.616 0.243) 5.564 10.005 ( 1.291 -3.973 -3.841) 5.675 10.335 ( 8.252 -1.700 -3.822) 9.251 10.454 ( 0.578 0.974 -3.840) 4.003 10.593 ( -4.158 6.966 -6.732) 10.542 10.836 ( -0.750 1.346 6.038) 6.232 11.047 ( -4.313 3.638 -0.728) 5.689 11.178 ( -2.543 2.586 1.862) 4.077 11.434 ( -1.163 4.395 -1.711) 4.858 11.539 ( -2.787 -1.030 0.308) 2.987 11.756 ( -7.071 -4.006 3.082) 8.692 11.857 ( 3.669 -2.306 -5.926) 7.342 11.924 ( 4.897 -1.573 -8.544) 9.973 12.173 ( 1.784 2.924 4.160) 5.388 12.210 ( 10.187 -1.790 -5.813) 11.864 12.611 ( 4.387 -3.354 9.654) 11.122 12.926 ( 7.913 2.841 -1.110) 8.480 13.052 ( 7.094 2.866 1.128) 7.733 13.299 ( -4.264 0.602 -0.225) 4.312 13.517 ( -4.268 -3.099 3.795) 6.498 13.574 ( 3.171 -9.342 2.886) 10.279 14.018 ( -4.801 -0.358 -0.753) 4.872 14.159 ( -7.114 -10.823 -2.201) 13.137 14.424 ( -2.633 2.685 -6.878) 7.839 14.720 ( -0.765 6.658 -4.288) 7.956 14.886 ( -5.170 -1.450 0.186) 5.373 15.067 ( -3.282 -3.417 -0.042) 4.738 15.276 ( -3.350 -3.069 -1.658) 4.837 15.439 ( 2.562 -1.621 0.418) 3.061 15.548 ( -1.671 -1.571 -4.002) 4.613 16.364 ( 1.815 5.272 3.362) 6.511 16.862 ( -5.928 1.737 -1.704) 6.408 17.669 ( -3.800 10.375 2.342) 11.295 17.882 ( 5.232 6.063 -5.831) 9.907 18.098 ( 1.338 7.580 16.336) 18.059 18.683 ( -16.072 -1.643 58.952) 61.126 20.896 ( 33.602 54.532 -29.237) 70.410 21.680 ( 5.990 -1.464 0.627) 6.198 22.663 ( -18.307 2.112 -2.240) 18.564 23.519 ( 1.708 -1.673 -2.434) 3.412 23.970 ( 2.597 -3.921 0.054) 4.703 24.159 ( -9.707 -30.085 -13.241) 34.273 ======================= Grid point 3 (4/204) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 20.978 -5.841 -3.964) 22.134 2.197 ( 29.204 -16.134 16.372) 37.165 3.084 ( 9.431 -10.122 5.631) 14.936 3.674 ( 21.609 -23.757 -3.444) 32.299 3.977 ( 11.995 2.980 -21.410) 24.721 4.500 ( 14.340 2.502 11.616) 18.623 4.872 ( 8.366 7.067 10.837) 15.407 4.993 ( -5.792 -0.641 -14.733) 15.844 5.625 ( 14.917 -10.392 3.741) 18.560 6.014 ( 9.877 4.882 3.338) 11.512 6.354 ( -0.800 2.118 2.051) 3.055 6.572 ( -3.348 -9.824 -2.793) 10.748 7.019 ( 1.308 0.493 7.168) 7.303 7.392 ( -13.772 -0.342 3.840) 14.301 7.623 ( -0.874 6.550 -1.418) 6.758 7.878 ( 12.847 0.702 -9.197) 15.816 7.971 ( 17.983 8.909 10.827) 22.803 8.495 ( 3.138 0.133 1.658) 3.551 8.642 ( -6.013 8.778 6.676) 12.561 8.911 ( -4.559 -1.096 -7.015) 8.438 8.956 ( -1.308 6.471 9.496) 11.566 9.176 ( -2.631 6.935 -1.421) 7.552 9.428 ( -3.953 4.107 -6.253) 8.462 9.602 ( -6.257 -0.405 1.273) 6.398 9.717 ( 0.519 -0.823 -0.070) 0.976 10.070 ( 4.057 -1.233 -2.938) 5.159 10.358 ( -5.620 5.574 -2.838) 8.409 10.417 ( 2.371 -2.059 -6.387) 7.117 10.554 ( 5.225 -0.383 -2.431) 5.775 10.860 ( 3.792 5.996 5.292) 8.851 10.964 ( 0.441 2.858 -2.036) 3.536 11.133 ( -2.190 0.071 0.042) 2.191 11.413 ( 2.379 1.758 -0.443) 2.991 11.500 ( -3.570 -0.839 -0.301) 3.680 11.648 ( -9.343 -0.473 -0.468) 9.367 11.868 ( -4.592 -2.431 3.089) 6.045 12.022 ( 7.657 -3.990 -8.890) 12.393 12.084 ( -7.918 -1.888 5.818) 10.006 12.405 ( 12.775 4.076 -7.986) 15.608 12.732 ( 3.423 -0.018 5.066) 6.115 12.889 ( 0.474 5.704 -10.763) 12.190 13.146 ( -5.376 7.813 4.659) 10.567 13.219 ( 7.327 0.493 -0.467) 7.358 13.556 ( 3.784 -2.512 9.811) 10.811 13.811 ( 7.502 -12.768 1.165) 14.854 13.954 ( -3.024 0.026 2.149) 3.710 14.150 ( -7.021 -14.347 -2.466) 16.162 14.339 ( -4.260 2.144 4.754) 6.734 14.642 ( -0.456 4.219 -3.375) 5.422 14.822 ( -4.174 -1.386 -0.044) 4.398 15.033 ( -4.021 -0.549 4.972) 6.418 15.224 ( -3.744 -2.367 -7.072) 8.344 15.489 ( 0.551 -2.348 2.526) 3.492 15.527 ( -1.268 -1.967 -6.935) 7.319 16.337 ( -0.838 3.753 1.545) 4.144 16.727 ( -7.352 1.700 -4.459) 8.765 17.411 ( -8.430 14.812 -3.011) 17.307 17.930 ( 11.294 7.438 -10.647) 17.211 18.179 ( 2.373 -0.126 20.835) 20.970 18.672 ( -13.238 -5.932 31.993) 35.128 20.779 ( 17.907 32.474 -18.399) 41.397 21.781 ( 3.301 -2.650 0.914) 4.331 22.335 ( -17.580 4.356 1.071) 18.143 23.535 ( 0.910 0.597 -1.248) 1.656 24.054 ( 2.799 -3.961 0.241) 4.856 24.247 ( -3.853 -17.642 -6.870) 19.321 ======================= Grid point 4 (5/204) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 12.906 -2.169 -4.128) 13.723 2.827 ( 22.713 -12.431 10.012) 27.760 3.176 ( -1.179 -0.109 -1.902) 2.240 3.985 ( 13.610 3.550 -13.320) 19.371 4.166 ( 6.974 -13.663 -1.395) 15.403 4.792 ( -6.214 -5.174 2.942) 8.605 4.863 ( 7.794 -5.969 1.715) 9.966 5.045 ( 15.938 4.060 6.638) 17.736 5.951 ( 9.568 -9.218 -8.287) 15.658 6.063 ( 4.162 4.990 8.689) 10.850 6.464 ( 9.495 -3.192 1.790) 10.176 6.631 ( -0.107 -5.894 1.833) 6.173 6.978 ( -9.016 12.187 0.801) 15.181 7.193 ( -4.300 -3.914 7.147) 9.213 7.576 ( 0.345 0.997 -2.754) 2.950 7.950 ( 7.466 3.550 -0.095) 8.268 8.273 ( 13.996 7.528 -4.561) 16.534 8.474 ( -2.179 5.396 9.901) 11.485 8.540 ( -0.297 -0.808 0.536) 1.014 8.891 ( 1.077 -3.963 -3.878) 5.649 8.938 ( 1.042 6.338 7.778) 10.087 9.034 ( -4.049 4.438 -8.220) 10.181 9.282 ( -4.528 5.784 -3.613) 8.186 9.552 ( -1.774 -2.795 3.274) 4.656 9.737 ( -0.262 -2.875 0.240) 2.896 10.095 ( 0.335 5.151 -1.558) 5.392 10.176 ( -3.707 5.741 -6.720) 9.584 10.497 ( 4.471 -2.419 1.000) 5.181 10.634 ( 2.920 -3.433 -1.823) 4.861 10.833 ( -0.425 6.359 0.353) 6.383 11.006 ( 4.703 1.548 1.638) 5.215 11.104 ( -2.149 -0.923 0.215) 2.349 11.383 ( -4.901 3.913 -3.394) 7.131 11.456 ( 1.377 -1.106 -1.943) 2.626 11.555 ( -1.743 -2.073 -1.207) 2.966 11.780 ( -10.630 -0.760 7.143) 12.830 12.024 ( -6.608 -4.980 3.739) 9.080 12.158 ( 6.940 -5.235 -6.934) 11.120 12.469 ( 4.432 4.145 -4.045) 7.293 12.717 ( -1.312 8.435 -2.093) 8.789 12.805 ( 0.779 1.229 -10.095) 10.199 13.050 ( 0.265 6.976 4.948) 8.557 13.285 ( 1.591 -0.598 0.874) 1.911 13.664 ( 0.264 -3.261 3.383) 4.706 13.933 ( -0.688 1.870 4.521) 4.941 14.046 ( 7.459 -8.794 2.163) 11.732 14.255 ( 4.849 -9.659 -3.769) 11.447 14.284 ( -4.842 -2.592 9.573) 11.036 14.586 ( -2.329 2.136 2.078) 3.782 14.791 ( -0.979 -1.085 -0.729) 1.633 15.010 ( -1.193 1.206 8.186) 8.360 15.155 ( -3.270 -1.843 -8.565) 9.351 15.461 ( -4.877 -0.377 -8.353) 9.680 15.531 ( 0.444 -3.148 1.647) 3.580 16.287 ( -0.739 2.943 -1.221) 3.270 16.551 ( -9.375 3.242 -3.169) 10.414 17.159 ( -4.772 10.779 -1.712) 11.912 18.012 ( 15.021 6.241 -18.337) 24.512 18.282 ( -5.183 -0.913 29.798) 30.259 18.659 ( -6.785 -7.527 10.786) 14.799 20.685 ( 9.266 18.149 -11.037) 23.174 21.828 ( -2.492 -3.457 -0.331) 4.274 22.059 ( -9.804 5.684 3.251) 11.790 23.534 ( 0.544 0.880 -0.815) 1.317 24.132 ( 2.255 -2.868 0.364) 3.666 24.318 ( -1.525 -9.611 -3.574) 10.367 ======================= Grid point 5 (6/204) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 4.513 -0.596 -1.634) 4.837 3.028 ( -0.175 1.905 -2.423) 3.087 3.332 ( 9.622 -7.065 3.546) 12.453 4.044 ( 3.269 3.211 -1.186) 4.733 4.262 ( -1.350 -1.637 -3.753) 4.311 4.760 ( -0.855 0.203 1.406) 1.658 5.098 ( 5.286 -12.957 3.561) 14.440 5.238 ( 6.402 2.451 0.314) 6.862 6.033 ( 6.786 3.480 -0.031) 7.627 6.174 ( -0.655 -4.253 -0.039) 4.304 6.567 ( -2.968 -2.866 1.051) 4.258 6.622 ( -5.543 5.453 0.714) 7.809 6.752 ( 2.335 1.351 -1.866) 3.280 7.315 ( 4.603 -3.153 6.023) 8.209 7.570 ( 0.151 -0.430 -2.128) 2.176 8.027 ( 4.205 6.282 3.087) 8.165 8.225 ( -1.288 -2.681 -6.728) 7.356 8.469 ( -0.955 4.860 9.716) 10.906 8.578 ( 0.724 0.662 -4.310) 4.420 8.881 ( 1.152 0.209 -6.850) 6.950 8.919 ( 0.105 2.570 0.763) 2.683 9.035 ( 1.767 -5.684 7.092) 9.259 9.154 ( -1.543 7.097 -5.356) 9.024 9.607 ( 0.881 -3.741 2.686) 4.690 9.789 ( 2.040 -4.701 1.078) 5.237 9.939 ( -5.435 8.110 -0.260) 9.766 10.136 ( 1.734 1.230 -4.864) 5.308 10.588 ( 3.911 -0.040 3.781) 5.440 10.679 ( -2.526 -3.627 -2.962) 5.321 10.746 ( -0.858 4.713 -0.272) 4.798 11.014 ( -2.285 0.012 1.122) 2.546 11.082 ( -1.105 -0.106 0.372) 1.170 11.372 ( 9.694 2.581 -4.567) 11.023 11.465 ( -1.428 -1.044 -2.577) 3.125 11.562 ( -2.930 -2.556 1.627) 4.215 11.639 ( -7.094 0.849 4.917) 8.673 11.988 ( -3.345 -2.317 1.137) 4.225 12.273 ( 3.539 -3.873 -3.913) 6.545 12.482 ( 1.951 -0.093 1.723) 2.604 12.577 ( -3.369 7.314 -3.098) 8.628 12.795 ( 1.585 0.236 -4.074) 4.378 13.028 ( 0.982 3.328 1.977) 3.994 13.297 ( -0.901 -0.561 1.146) 1.562 13.687 ( -0.310 -1.831 -0.815) 2.028 13.925 ( -0.477 0.478 2.151) 2.254 14.197 ( 1.456 -3.316 0.527) 3.660 14.250 ( -0.094 0.518 2.649) 2.701 14.440 ( 3.918 -4.448 -1.687) 6.163 14.564 ( -0.095 0.024 6.054) 6.055 14.794 ( 0.185 -0.711 -0.895) 1.158 15.043 ( 2.158 1.677 7.073) 7.582 15.093 ( -1.878 -1.114 -5.195) 5.635 15.327 ( -5.884 0.331 -6.155) 8.522 15.573 ( 0.422 -2.021 0.785) 2.209 16.270 ( 3.077 1.059 -3.708) 4.933 16.368 ( -7.633 2.713 0.979) 8.160 17.039 ( -1.306 3.402 -0.090) 3.645 18.132 ( 16.916 3.994 -25.070) 30.506 18.254 ( -14.803 -1.912 31.183) 34.571 18.690 ( -0.371 -3.470 0.719) 3.564 20.633 ( 2.919 5.923 -3.779) 7.608 21.763 ( -4.808 -0.699 -0.139) 4.861 21.971 ( -0.231 1.784 1.485) 2.333 23.531 ( 0.205 0.366 -0.298) 0.515 24.179 ( 0.898 -1.043 0.195) 1.390 24.355 ( -0.441 -3.073 -1.162) 3.315 ======================= Grid point 12 (7/204) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 27.366 0.000 26.900) 38.373 1.363 ( 39.893 0.000 12.295) 41.745 2.343 ( 58.869 0.000 4.134) 59.014 2.690 ( 16.361 0.000 3.290) 16.688 4.064 ( -4.098 -0.000 -4.879) 6.372 4.557 ( 12.247 0.000 -13.331) 18.103 4.819 ( -4.544 -0.000 -7.285) 8.586 4.891 ( 13.651 0.000 6.827) 15.263 5.386 ( 16.735 0.000 -6.482) 17.946 5.961 ( 0.914 0.000 15.783) 15.810 6.439 ( -18.128 -0.000 -12.403) 21.965 6.538 ( -3.516 -0.000 -1.714) 3.912 6.898 ( 7.196 0.000 10.438) 12.678 7.476 ( -7.354 -0.000 6.327) 9.701 7.619 ( 12.967 0.000 -5.534) 14.099 7.686 ( 4.221 0.000 2.948) 5.149 8.181 ( 7.732 0.000 -8.527) 11.510 8.297 ( 4.171 0.000 19.929) 20.360 8.885 ( -2.879 -0.000 10.008) 10.414 9.121 ( -8.716 -0.000 11.618) 14.524 9.131 ( -17.162 -0.000 -1.450) 17.223 9.346 ( 0.148 0.000 9.648) 9.649 9.522 ( 9.590 0.000 -10.515) 14.232 9.538 ( -9.250 -0.000 2.026) 9.469 9.852 ( -2.990 -0.000 2.237) 3.734 9.913 ( 1.064 0.000 -7.837) 7.909 10.317 ( 8.192 0.000 -5.358) 9.789 10.470 ( -1.694 -0.000 -7.011) 7.213 10.702 ( 0.305 0.000 -2.927) 2.943 10.792 ( -4.178 -0.000 5.654) 7.030 11.070 ( 1.635 0.000 -6.166) 6.379 11.221 ( -6.293 -0.000 4.126) 7.525 11.503 ( -2.758 -0.000 -1.265) 3.034 11.634 ( -4.001 -0.000 1.722) 4.356 11.639 ( -3.740 -0.000 5.523) 6.671 11.829 ( 3.854 0.000 -8.347) 9.193 11.862 ( 2.976 0.000 -15.427) 15.711 12.185 ( -4.797 -0.000 5.791) 7.520 12.222 ( 21.617 0.000 -4.089) 22.001 12.559 ( 2.414 0.000 13.251) 13.469 12.971 ( 16.463 0.000 2.961) 16.727 13.069 ( 1.712 0.000 -5.988) 6.228 13.282 ( 5.032 0.000 10.514) 11.656 13.458 ( -0.069 -0.000 -0.644) 0.648 13.515 ( -7.805 -0.000 3.243) 8.452 14.019 ( -4.178 -0.000 -2.361) 4.799 14.034 ( -7.499 -0.000 -4.031) 8.513 14.447 ( -4.615 -0.000 -6.586) 8.042 14.832 ( -6.074 -0.000 -6.034) 8.562 14.840 ( -1.595 -0.000 -2.908) 3.317 15.034 ( 1.855 0.000 -2.148) 2.838 15.237 ( -3.640 -0.000 2.308) 4.310 15.424 ( 2.687 0.000 1.591) 3.123 15.529 ( -3.204 -0.000 -3.321) 4.614 16.423 ( 0.098 0.000 -1.489) 1.492 16.876 ( -7.264 -0.000 -0.362) 7.273 17.794 ( 7.997 0.000 6.257) 10.154 17.891 ( -9.829 -0.000 -5.081) 11.065 18.238 ( 4.749 0.000 -12.300) 13.185 18.642 ( -29.620 -0.000 90.267) 95.003 21.579 ( 1.922 0.000 6.201) 6.492 21.913 ( -18.367 -0.000 -5.725) 19.239 22.803 ( 13.390 0.000 -66.255) 67.594 23.232 ( 2.567 0.000 13.606) 13.846 23.731 ( 3.599 0.000 0.016) 3.599 23.926 ( 2.848 0.000 0.012) 2.848 ======================= Grid point 13 (8/204) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 24.761 -2.718 20.594) 32.320 2.055 ( 39.351 0.301 11.992) 41.138 2.986 ( 24.715 1.827 4.843) 25.252 3.215 ( 27.547 -19.548 -2.898) 33.902 4.037 ( 7.285 2.276 -12.916) 15.002 4.622 ( 2.178 7.787 -6.749) 10.532 4.837 ( 12.225 -6.260 -4.846) 14.564 5.107 ( 10.604 4.912 -3.098) 12.090 5.523 ( 3.638 0.692 -3.384) 5.017 6.064 ( 7.227 -0.488 11.097) 13.251 6.275 ( -4.249 -7.303 2.503) 8.812 6.449 ( -6.008 -0.586 -0.474) 6.055 7.029 ( 3.349 0.356 13.453) 13.868 7.364 ( -9.474 -1.254 2.323) 9.835 7.743 ( 1.763 3.417 2.230) 4.445 7.868 ( 19.340 -0.585 -10.684) 22.103 8.189 ( 6.300 9.986 -2.986) 12.179 8.472 ( 4.125 -2.431 16.839) 17.506 8.797 ( -9.463 5.750 5.320) 12.284 8.871 ( -9.042 -2.631 -3.976) 10.222 9.056 ( -3.982 2.850 7.389) 8.864 9.305 ( -5.563 6.755 1.466) 8.873 9.429 ( -5.246 -4.021 -1.519) 6.782 9.607 ( 3.262 -0.475 -7.234) 7.950 9.770 ( -1.988 6.136 0.599) 6.478 9.980 ( 4.397 -6.619 -3.749) 8.786 10.381 ( 3.424 -0.258 -7.377) 8.137 10.417 ( -1.005 0.344 -3.407) 3.569 10.658 ( 1.709 9.167 -1.925) 9.522 10.838 ( 1.089 -7.172 3.472) 8.042 11.039 ( -0.060 3.536 -5.691) 6.700 11.154 ( -3.148 0.489 2.350) 3.959 11.457 ( 0.098 2.095 -2.412) 3.197 11.543 ( -1.049 5.427 3.246) 6.410 11.637 ( -4.676 -1.930 2.461) 5.626 11.813 ( -4.710 -2.484 1.727) 5.598 11.918 ( 7.078 -4.722 -14.888) 17.148 12.044 ( -14.523 -1.727 5.099) 15.488 12.502 ( 16.593 5.041 -6.900) 18.664 12.664 ( 2.300 -4.768 6.769) 8.593 13.027 ( 2.252 5.921 -9.809) 11.677 13.231 ( 9.422 0.405 0.690) 9.456 13.288 ( -4.205 5.195 6.354) 9.222 13.492 ( 3.119 -5.166 1.375) 6.189 13.589 ( 7.283 -5.178 14.116) 16.707 13.915 ( -7.928 -7.177 -3.823) 11.357 13.965 ( -1.131 -0.127 -0.171) 1.151 14.348 ( -6.874 -0.260 4.665) 8.312 14.713 ( -3.458 2.008 -5.390) 6.712 14.804 ( -2.178 -0.364 -1.625) 2.742 15.031 ( -0.885 0.374 -1.672) 1.928 15.190 ( -3.615 -0.948 -0.476) 3.767 15.463 ( 0.335 -0.431 3.740) 3.779 15.481 ( -1.467 -1.898 -5.650) 6.138 16.395 ( -1.603 1.663 -1.217) 2.611 16.744 ( -7.803 0.320 -4.054) 8.799 17.645 ( -10.963 7.640 -6.870) 15.025 17.975 ( 9.320 -1.411 1.839) 9.604 18.245 ( 5.566 4.895 -5.720) 9.362 18.546 ( -22.548 -5.410 53.859) 58.639 21.403 ( -10.148 23.977 -4.128) 26.361 21.704 ( -2.686 -6.439 4.702) 8.413 22.587 ( 3.485 21.123 -29.191) 36.200 23.449 ( 0.819 -13.988 2.707) 14.271 23.860 ( 3.673 -13.221 -1.421) 13.795 23.989 ( 3.391 -2.116 0.231) 4.004 ======================= Grid point 14 (9/204) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 19.668 5.013 12.171) 23.666 2.682 ( 32.741 -0.137 10.249) 34.308 3.315 ( 15.886 10.748 5.555) 19.969 3.702 ( 15.901 -23.027 -7.086) 28.866 4.115 ( 12.048 2.840 -21.444) 24.761 4.614 ( -0.932 -10.168 1.591) 10.334 4.948 ( -2.286 11.201 -7.790) 13.834 5.164 ( 14.196 6.161 4.250) 16.048 5.660 ( 5.804 -15.184 -6.368) 17.458 6.216 ( 0.000 7.229 6.523) 9.737 6.322 ( 3.970 -10.615 7.753) 13.732 6.484 ( 4.261 -6.497 5.720) 9.648 7.143 ( 5.382 1.869 14.239) 15.337 7.187 ( -12.958 2.839 0.471) 13.274 7.677 ( -1.473 8.598 -0.859) 8.766 7.988 ( 3.950 1.883 -8.489) 9.550 8.318 ( 13.004 -1.858 -8.928) 15.883 8.552 ( -5.562 1.784 8.136) 10.015 8.647 ( 1.456 8.080 9.787) 12.775 8.809 ( -1.896 -3.458 -5.059) 6.414 9.014 ( -1.810 2.662 7.613) 8.266 9.133 ( -5.964 3.532 -3.211) 7.639 9.376 ( -0.810 3.262 -5.589) 6.522 9.557 ( -3.139 2.279 -4.953) 6.291 9.716 ( -1.180 1.366 3.352) 3.808 10.109 ( 5.322 -3.601 -1.584) 6.618 10.335 ( -4.278 8.418 -0.757) 9.473 10.416 ( 2.541 -2.883 -3.521) 5.212 10.633 ( 3.966 2.244 -1.017) 4.669 10.928 ( 1.051 -2.147 -0.377) 2.420 10.980 ( -0.933 1.518 -0.546) 1.863 11.122 ( -0.931 1.256 0.502) 1.642 11.446 ( 1.055 2.287 -5.112) 5.699 11.490 ( -0.445 4.643 1.449) 4.885 11.558 ( -3.123 2.623 0.680) 4.135 11.742 ( -10.054 -3.029 6.823) 12.523 11.888 ( -10.856 -8.141 3.331) 13.973 12.031 ( 6.296 -6.622 -11.006) 14.305 12.556 ( -0.056 4.319 0.995) 4.433 12.769 ( 5.187 -1.599 -8.891) 10.416 12.945 ( 1.389 10.223 -7.299) 12.638 13.175 ( -4.783 4.900 8.886) 11.218 13.302 ( 3.569 2.971 -3.756) 5.973 13.598 ( 0.942 -3.371 -1.884) 3.975 13.808 ( 3.188 -13.308 6.563) 15.176 13.895 ( -4.220 -8.011 -0.075) 9.055 14.090 ( 13.002 -0.036 12.874) 18.298 14.278 ( -4.746 -1.650 5.934) 7.775 14.635 ( -2.087 2.292 -1.039) 3.269 14.781 ( -0.010 -0.106 -1.179) 1.184 15.011 ( -1.037 -1.416 0.378) 1.795 15.133 ( -2.861 0.450 -2.083) 3.567 15.433 ( -3.973 -1.999 -8.426) 9.528 15.490 ( -0.010 -1.137 3.298) 3.488 16.339 ( -1.745 1.984 -1.860) 3.231 16.588 ( -8.876 0.923 -3.592) 9.620 17.356 ( -10.608 8.133 -7.159) 15.164 18.115 ( 11.926 4.195 -9.946) 16.086 18.285 ( -5.295 1.169 26.783) 27.327 18.493 ( -7.120 -8.638 11.792) 16.259 21.016 ( -12.976 12.898 -2.143) 18.421 21.753 ( -1.718 -3.636 7.187) 8.236 22.327 ( 2.964 20.524 -18.683) 27.912 23.535 ( 0.362 -2.526 0.868) 2.695 24.054 ( 2.351 -13.922 -0.191) 14.120 24.072 ( 3.703 -3.733 -0.366) 5.271 ======================= Grid point 15 (10/204) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 12.697 12.293 8.571) 19.641 3.181 ( 23.428 0.480 5.827) 24.147 3.322 ( 8.206 18.550 -2.621) 20.453 4.126 ( 9.951 -11.063 -4.831) 15.644 4.143 ( 3.814 1.998 -11.261) 12.056 4.695 ( 1.604 -4.792 1.070) 5.165 4.900 ( 2.690 -7.078 0.071) 7.572 5.279 ( 6.213 3.000 1.673) 7.099 5.843 ( 0.954 -17.187 -14.082) 22.239 6.137 ( -7.181 -0.239 6.243) 9.519 6.545 ( 6.170 -2.510 8.464) 10.770 6.616 ( 0.829 -4.102 9.087) 10.005 6.893 ( -8.598 10.726 -6.573) 15.237 7.311 ( 6.956 1.311 17.355) 18.743 7.590 ( -0.285 3.701 -2.553) 4.506 8.043 ( 5.497 -5.037 -4.625) 8.774 8.220 ( -14.712 2.920 -8.253) 17.120 8.544 ( -0.697 0.956 -0.478) 1.276 8.616 ( -3.568 4.796 4.929) 7.747 8.855 ( 5.877 -4.710 -4.691) 8.873 8.979 ( -1.914 1.584 5.279) 5.835 9.058 ( 1.215 8.998 -1.078) 9.143 9.299 ( 0.576 6.998 -7.407) 10.206 9.513 ( -0.050 -4.162 0.515) 4.194 9.733 ( 1.388 -1.227 5.315) 5.628 10.134 ( -6.525 11.088 2.173) 13.048 10.182 ( 3.368 2.221 -4.135) 5.777 10.497 ( 1.967 -6.869 -0.025) 7.145 10.672 ( -0.370 1.049 1.800) 2.116 10.861 ( -2.039 6.347 -2.647) 7.173 10.993 ( -1.537 -3.078 2.492) 4.249 11.086 ( -1.428 1.425 -0.893) 2.206 11.419 ( 4.125 1.653 -2.939) 5.328 11.454 ( -4.157 0.355 -0.169) 4.176 11.542 ( 1.426 0.303 0.783) 1.655 11.642 ( -5.371 -0.174 5.672) 7.814 11.875 ( -2.594 -8.013 0.392) 8.431 12.150 ( 4.522 -7.074 -7.587) 11.316 12.505 ( -2.188 1.699 3.677) 4.604 12.773 ( -3.609 7.345 -0.074) 8.184 12.803 ( 0.909 4.482 -10.412) 11.372 13.083 ( -6.759 1.918 4.017) 8.093 13.311 ( 3.027 2.253 -3.934) 5.451 13.634 ( 2.177 -3.002 -2.263) 4.345 13.892 ( -1.484 -6.337 -4.210) 7.751 14.037 ( 3.546 -9.991 7.256) 12.847 14.176 ( -6.216 -4.275 5.351) 9.249 14.435 ( 12.899 2.161 7.960) 15.311 14.604 ( 1.548 2.617 6.121) 6.834 14.788 ( 0.745 -0.018 -0.538) 0.919 15.036 ( -0.126 -4.333 -3.115) 5.338 15.088 ( 0.231 2.508 2.388) 3.470 15.310 ( -7.558 -1.503 -8.576) 11.530 15.526 ( 1.273 -2.176 2.168) 3.325 16.302 ( 1.175 1.594 -4.165) 4.612 16.418 ( -8.791 2.041 -1.322) 9.121 17.116 ( -7.951 4.120 -4.896) 10.206 18.201 ( -15.767 -3.084 26.477) 30.970 18.221 ( 9.447 4.764 -8.462) 13.548 18.605 ( 7.998 -4.846 -5.653) 10.928 20.718 ( -14.954 2.519 3.265) 15.512 21.774 ( -0.382 0.787 6.593) 6.651 22.142 ( 4.863 15.389 -14.974) 22.016 23.548 ( 0.390 0.715 0.102) 0.821 24.140 ( 1.666 -2.856 0.867) 3.418 24.222 ( 2.943 -9.421 -0.077) 9.870 ======================= Grid point 16 (11/204) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 5.151 15.998 9.695) 19.403 3.226 ( 9.316 20.443 1.069) 22.491 3.458 ( 6.451 5.326 -1.818) 8.561 4.043 ( -4.274 3.079 -12.059) 13.159 4.257 ( 3.329 -2.221 4.555) 6.063 4.745 ( -2.440 -0.462 0.630) 2.562 5.068 ( 5.134 -10.053 0.559) 11.302 5.356 ( 3.326 5.900 -0.759) 6.816 5.852 ( -16.147 -12.993 -11.761) 23.830 6.081 ( 0.878 -9.875 -1.949) 10.104 6.598 ( 2.379 3.453 7.188) 8.321 6.687 ( 0.649 5.268 9.726) 11.080 6.734 ( -3.173 0.053 -4.822) 5.773 7.412 ( 0.967 5.257 8.604) 10.129 7.569 ( 0.055 -0.343 -0.126) 0.369 7.918 ( -15.331 -3.704 -10.055) 18.704 8.198 ( 5.018 -5.724 -0.352) 7.620 8.407 ( -10.393 -1.199 3.794) 11.129 8.579 ( 0.346 1.339 -2.601) 2.946 8.926 ( -5.728 5.784 -1.465) 8.271 8.955 ( 3.651 4.099 1.206) 5.621 9.009 ( 0.847 -7.548 1.080) 7.672 9.180 ( -1.210 8.752 -7.350) 11.493 9.610 ( 3.683 -3.430 1.013) 5.134 9.810 ( 3.241 -2.527 1.790) 4.483 9.946 ( -4.146 8.368 2.069) 9.565 10.166 ( -1.405 4.241 3.173) 5.480 10.560 ( -4.671 -3.743 -2.722) 6.576 10.629 ( 0.960 -2.630 3.012) 4.112 10.796 ( 0.162 4.454 -0.251) 4.464 11.029 ( 2.580 1.017 1.997) 3.417 11.061 ( -0.113 -1.361 -2.191) 2.582 11.332 ( -9.895 -1.558 5.281) 11.323 11.471 ( 0.482 -0.975 3.297) 3.472 11.606 ( 2.028 -1.634 -2.417) 3.553 11.644 ( 9.828 4.883 -1.654) 11.098 11.955 ( 4.565 -4.877 -2.501) 7.133 12.240 ( 1.007 -5.561 -3.014) 6.405 12.498 ( -1.911 -0.566 3.353) 3.900 12.576 ( -6.664 7.315 6.148) 11.649 12.788 ( 0.163 -0.299 -4.823) 4.835 12.964 ( -8.688 -2.974 1.437) 9.295 13.323 ( 3.304 2.060 -5.829) 7.010 13.697 ( 3.101 -0.740 0.239) 3.197 13.905 ( 0.289 -2.128 -6.836) 7.166 14.126 ( -3.948 -6.725 3.447) 8.526 14.196 ( -1.902 -5.469 4.264) 7.191 14.521 ( 4.810 3.679 -2.230) 6.453 14.643 ( -0.422 5.363 3.451) 6.391 14.819 ( 3.036 1.872 4.085) 5.424 15.013 ( -2.279 -1.655 -7.641) 8.144 15.098 ( 0.642 -0.019 1.126) 1.296 15.287 ( 4.751 -3.444 4.085) 7.150 15.584 ( 2.246 -1.060 1.172) 2.746 16.275 ( -5.584 1.554 4.219) 7.169 16.326 ( 4.341 -1.426 -6.702) 8.112 16.987 ( -4.800 -1.861 -3.359) 6.147 18.036 ( -21.718 -5.923 27.436) 35.489 18.310 ( 13.044 4.406 -23.291) 27.056 18.729 ( 6.548 0.245 -5.041) 8.268 20.513 ( -15.595 -5.451 8.512) 18.585 21.811 ( 4.588 2.836 6.472) 8.425 22.048 ( 5.946 9.430 -14.397) 18.209 23.542 ( 0.225 1.296 -0.033) 1.316 24.179 ( 0.342 -1.010 0.533) 1.192 24.339 ( 2.776 -4.322 1.648) 5.395 ======================= Grid point 17 (12/204) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -1.820 18.968 12.436) 22.754 3.130 ( -7.109 18.345 -2.374) 19.817 3.357 ( 6.717 16.345 1.881) 17.771 3.881 ( -10.699 -4.136 -8.686) 14.389 4.330 ( -0.524 3.677 7.958) 8.782 4.772 ( 3.752 -6.147 -2.040) 7.485 5.058 ( -11.641 3.226 -7.276) 14.102 5.146 ( -10.120 18.826 -1.160) 21.405 5.755 ( -5.352 -17.014 -6.314) 18.921 6.177 ( -3.546 0.839 -0.446) 3.671 6.515 ( -10.381 4.602 3.050) 11.758 6.624 ( -6.915 -5.999 -2.664) 9.535 6.818 ( 12.077 -0.667 1.753) 12.221 7.343 ( 0.266 9.241 5.086) 10.551 7.576 ( -0.169 -1.311 -0.071) 1.324 7.771 ( -9.817 -12.291 -8.254) 17.764 8.179 ( -11.672 -1.486 8.942) 14.778 8.377 ( 0.673 -4.041 -7.574) 8.611 8.592 ( 0.941 0.865 1.088) 1.679 8.787 ( -5.649 -4.368 -4.003) 8.186 8.944 ( -5.242 0.292 5.763) 7.796 9.015 ( -0.767 1.577 -3.914) 4.289 9.181 ( 7.965 -2.749 -1.080) 8.495 9.635 ( 1.988 4.141 -4.206) 6.228 9.823 ( -1.631 5.294 3.332) 6.464 9.959 ( 5.041 -6.289 1.749) 8.247 10.121 ( -2.753 -0.249 7.038) 7.561 10.496 ( -4.211 -1.143 -0.512) 4.394 10.694 ( -2.899 -5.716 0.589) 6.436 10.749 ( 0.129 4.445 -0.423) 4.467 10.981 ( -6.484 0.001 2.296) 6.878 11.108 ( 2.303 -1.064 -1.884) 3.160 11.316 ( 2.812 -2.872 2.763) 4.877 11.497 ( 3.054 2.188 2.832) 4.704 11.609 ( 0.947 2.340 2.443) 3.513 11.790 ( 11.296 1.123 -6.255) 12.961 12.060 ( 5.043 -1.575 -5.483) 7.614 12.218 ( -7.316 1.043 3.632) 8.235 12.403 ( -6.475 -2.372 3.388) 7.683 12.595 ( 0.982 -2.937 7.930) 8.514 12.780 ( -1.318 -1.699 5.345) 5.761 12.918 ( -1.908 -6.233 -2.938) 7.150 13.308 ( -0.668 1.456 -5.279) 5.517 13.717 ( -0.696 2.080 -3.157) 3.844 13.897 ( 0.852 -1.615 -5.284) 5.591 14.139 ( -5.732 -1.155 1.304) 5.991 14.177 ( -1.516 -4.782 0.689) 5.064 14.542 ( 1.175 11.773 0.909) 11.866 14.565 ( 1.843 -0.281 -4.635) 4.996 14.827 ( 1.990 2.545 -1.973) 3.786 14.989 ( 2.679 -0.292 -7.322) 7.802 15.171 ( 4.306 -0.429 7.892) 9.001 15.441 ( 5.234 -2.348 7.807) 9.688 15.600 ( 0.724 3.101 -0.490) 3.222 16.243 ( -0.634 -1.035 4.027) 4.205 16.452 ( 8.691 -6.347 -1.601) 10.880 16.968 ( -1.820 -7.958 -2.514) 8.542 17.866 ( -19.865 -8.371 19.106) 28.805 18.330 ( 6.519 4.155 -25.245) 26.402 18.769 ( 4.559 3.428 -7.702) 9.584 20.387 ( -16.275 -11.077 12.966) 23.573 21.885 ( 0.684 2.492 7.762) 8.181 22.063 ( 15.552 4.604 -15.564) 22.478 23.533 ( 0.004 0.956 0.243) 0.987 24.174 ( -0.837 1.351 0.160) 1.597 24.414 ( 3.106 0.497 3.627) 4.801 ======================= Grid point 18 (13/204) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( -8.198 22.553 14.390) 27.981 2.621 ( -20.941 24.763 -10.125) 33.974 3.372 ( 7.954 19.342 -3.189) 21.156 3.772 ( -9.633 -10.389 17.750) 22.711 4.168 ( -12.417 15.989 -2.655) 20.417 4.577 ( -25.466 10.047 -13.539) 30.541 4.745 ( -10.706 -3.339 -10.859) 15.610 5.062 ( 12.133 5.369 8.941) 16.000 5.803 ( -11.127 -1.710 -2.668) 11.570 5.937 ( -9.659 4.414 -3.776) 11.271 6.297 ( -10.575 -1.441 3.217) 11.147 6.630 ( -0.946 -4.628 -1.174) 4.868 6.990 ( 5.432 -3.721 -3.032) 7.249 7.384 ( 8.658 2.072 2.911) 9.366 7.589 ( 1.556 1.082 -0.802) 2.057 7.727 ( -6.821 -10.913 -5.445) 13.974 7.948 ( -19.474 2.724 6.659) 20.760 8.415 ( -0.023 -7.373 -5.906) 9.447 8.565 ( 0.129 1.579 -0.563) 1.681 8.805 ( -0.624 -9.332 -9.306) 13.194 8.908 ( -0.075 -1.449 5.426) 5.616 9.041 ( 0.694 -5.380 2.893) 6.148 9.334 ( 4.811 -4.253 0.094) 6.422 9.647 ( 7.811 3.552 -3.002) 9.090 9.759 ( -2.301 3.437 2.539) 4.853 10.047 ( -2.429 -2.545 4.956) 6.078 10.206 ( 5.035 -8.737 3.061) 10.539 10.442 ( -3.620 0.651 3.780) 5.274 10.624 ( -6.909 1.022 -0.846) 7.035 10.715 ( -3.715 -3.316 -1.767) 5.284 10.922 ( -1.882 -1.367 2.178) 3.187 11.136 ( 1.428 -0.563 -1.830) 2.388 11.369 ( -1.142 -2.798 0.323) 3.039 11.556 ( 5.139 4.022 -1.250) 6.644 11.674 ( 9.892 1.868 3.569) 10.681 11.901 ( 5.656 1.207 -3.071) 6.549 12.035 ( -9.382 -2.454 -1.579) 9.825 12.124 ( 0.320 2.194 -3.034) 3.757 12.353 ( -7.622 -1.441 11.421) 13.806 12.640 ( -4.112 -6.626 0.305) 7.804 12.837 ( 1.236 -1.780 10.278) 10.504 13.003 ( 5.404 -6.348 -2.382) 8.670 13.223 ( -6.171 0.949 -2.709) 6.806 13.609 ( -3.261 2.969 -9.321) 10.312 13.932 ( 0.751 -0.225 4.916) 4.978 14.024 ( -3.267 5.938 -3.251) 7.517 14.240 ( 0.766 -7.420 -4.546) 8.735 14.444 ( 4.955 13.856 0.019) 14.715 14.582 ( 0.104 -1.532 -1.459) 2.118 14.854 ( 4.519 1.661 -1.727) 5.115 15.041 ( 7.017 0.455 -6.051) 9.277 15.272 ( 4.559 2.071 8.927) 10.235 15.538 ( 0.878 -0.832 7.997) 8.088 15.561 ( 0.079 4.637 -1.082) 4.762 16.272 ( 0.345 -2.224 -1.263) 2.581 16.662 ( 7.595 -5.273 2.364) 9.544 17.097 ( 4.806 -15.948 0.166) 16.658 17.730 ( -16.713 -11.451 10.041) 22.611 18.227 ( -1.263 4.091 -22.892) 23.289 18.755 ( 3.130 2.376 -16.038) 16.512 20.300 ( -19.114 -15.101 17.786) 30.162 21.841 ( -2.744 3.688 0.366) 4.612 22.308 ( 21.075 -0.078 -7.607) 22.406 23.526 ( -0.258 0.399 0.645) 0.802 24.130 ( -1.512 3.508 -0.116) 3.822 24.466 ( 4.617 5.084 6.045) 9.149 ======================= Grid point 19 (14/204) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -14.125 27.557 12.600) 33.432 1.968 ( -20.315 29.738 -9.085) 37.143 3.092 ( -14.684 26.146 -7.154) 30.829 3.441 ( -32.004 28.427 -11.244) 44.258 3.957 ( 3.983 -5.244 29.664) 30.386 4.280 ( -3.313 -1.491 -9.747) 10.402 4.612 ( -7.765 -9.518 -10.314) 16.039 5.158 ( -0.736 8.585 7.819) 11.635 5.413 ( -18.445 9.921 -8.135) 22.469 5.843 ( -3.539 -4.589 -0.131) 5.797 6.310 ( 0.683 -7.919 1.956) 8.185 6.654 ( 1.167 -1.473 -0.175) 1.887 7.072 ( 4.088 0.565 1.798) 4.502 7.437 ( -9.836 -1.620 -5.890) 11.579 7.561 ( -4.498 -6.088 -0.388) 7.579 7.694 ( 2.520 3.391 -5.979) 7.321 7.754 ( -2.351 -0.607 4.762) 5.346 8.416 ( -5.130 -3.939 -2.586) 6.965 8.588 ( -0.090 -6.260 -2.352) 6.688 8.859 ( 0.498 -7.512 -5.775) 9.489 9.013 ( 6.343 -5.091 2.830) 8.612 9.139 ( 3.342 -6.164 -0.934) 7.074 9.409 ( -1.576 -4.952 5.068) 7.259 9.712 ( 0.075 0.189 0.435) 0.480 9.761 ( 8.219 3.213 -4.388) 9.856 10.040 ( -1.192 -0.055 4.697) 4.846 10.336 ( -5.755 -4.449 -3.779) 8.197 10.444 ( 2.084 -6.673 10.863) 12.918 10.476 ( -6.445 3.081 -0.033) 7.143 10.725 ( 0.895 -6.863 -1.881) 7.172 10.958 ( 2.340 -3.499 0.165) 4.212 11.158 ( 1.650 -1.106 -2.826) 3.454 11.389 ( 1.705 -1.387 1.284) 2.546 11.585 ( 4.211 2.718 -1.433) 5.213 11.825 ( 8.423 2.563 -4.809) 10.032 11.881 ( -10.083 -2.119 3.633) 10.925 11.917 ( -3.224 1.461 5.324) 6.393 12.122 ( 0.748 -1.974 -6.767) 7.089 12.255 ( -9.095 1.978 10.680) 14.166 12.620 ( -2.464 -2.662 -2.145) 4.214 12.892 ( -1.433 -0.491 3.631) 3.934 13.006 ( -8.001 -1.512 -4.939) 9.524 13.242 ( 7.625 -3.526 7.446) 11.225 13.562 ( 4.023 1.964 -5.117) 6.799 13.801 ( -7.632 10.205 -1.206) 12.801 14.024 ( 4.838 0.279 -1.830) 5.180 14.283 ( -1.529 -5.765 -6.233) 8.627 14.446 ( 7.218 11.069 7.655) 15.271 14.615 ( 1.713 -3.869 1.993) 4.677 14.908 ( 4.354 0.927 -2.041) 4.897 15.136 ( 8.392 2.708 -2.863) 9.271 15.347 ( 4.177 3.796 6.010) 8.245 15.496 ( -2.415 4.518 1.241) 5.271 15.570 ( -0.446 0.182 5.139) 5.161 16.260 ( -3.938 -4.001 -8.400) 10.104 16.797 ( 2.310 -4.967 2.047) 5.848 17.402 ( 10.012 -16.553 0.390) 19.349 17.637 ( -13.686 -14.402 0.428) 19.872 18.058 ( -3.900 1.203 -20.145) 20.554 18.676 ( -2.526 -1.586 -24.635) 24.815 20.199 ( -24.741 -17.092 24.117) 38.547 21.748 ( -3.294 4.555 -1.480) 5.813 22.630 ( 19.691 -2.308 -4.486) 20.327 23.519 ( -0.908 0.153 0.943) 1.318 24.061 ( -1.657 4.961 -0.244) 5.236 24.528 ( 8.596 8.941 9.250) 15.473 ======================= Grid point 20 (15/204) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -12.271 33.105 0.978) 35.320 1.353 ( -13.298 37.860 7.602) 40.841 2.132 ( -42.522 42.425 -20.422) 63.443 2.927 ( -5.852 23.422 -0.333) 24.145 4.155 ( 9.805 5.050 6.048) 12.578 4.311 ( -1.779 -7.780 11.570) 14.056 4.595 ( -4.142 -11.694 -5.149) 13.432 4.979 ( -9.728 7.728 4.520) 13.221 5.053 ( -11.466 3.116 -11.280) 16.384 5.889 ( 1.516 -2.254 -0.871) 2.853 6.397 ( -1.170 -7.943 1.917) 8.254 6.699 ( 2.283 -1.432 -1.652) 3.161 7.112 ( 5.239 11.505 7.761) 14.834 7.271 ( -8.499 -12.303 -2.605) 15.178 7.572 ( -4.481 -7.519 -11.139) 14.166 7.652 ( -2.591 2.293 -0.778) 3.547 7.793 ( 7.145 4.576 -0.402) 8.494 8.327 ( -7.183 -0.814 -0.027) 7.229 8.649 ( -0.042 -9.434 -4.686) 10.534 8.912 ( -1.227 -6.339 -2.344) 6.869 9.148 ( 1.212 -8.862 -5.332) 10.413 9.278 ( 7.553 -1.712 2.593) 8.167 9.440 ( -0.394 -1.923 7.926) 8.165 9.724 ( -2.613 0.216 -4.998) 5.644 9.806 ( 6.542 0.713 -3.827) 7.612 10.062 ( 2.330 3.085 2.097) 4.398 10.145 ( -14.414 -0.830 -1.197) 14.487 10.404 ( -3.230 -3.938 0.981) 5.187 10.637 ( 4.476 -9.593 5.969) 12.153 10.848 ( 6.192 -3.514 0.069) 7.120 11.063 ( 3.414 -9.458 -2.838) 10.448 11.196 ( 5.077 -0.993 -4.900) 7.126 11.469 ( 5.455 -1.020 1.649) 5.789 11.627 ( 3.868 1.487 -3.136) 5.197 11.718 ( -12.814 -3.674 1.988) 13.477 11.820 ( -5.977 2.092 10.732) 12.461 11.912 ( 1.725 5.639 -0.879) 5.963 12.027 ( -6.209 2.938 -2.975) 7.486 12.236 ( 1.070 -5.350 -0.298) 5.464 12.615 ( 3.740 4.323 -2.543) 6.257 12.796 ( -2.993 4.832 4.434) 7.209 12.995 ( 1.583 -3.210 0.155) 3.582 13.415 ( 5.685 -0.299 10.190) 11.672 13.567 ( 1.386 6.430 -13.443) 14.966 13.655 ( 4.471 4.037 4.584) 7.569 14.086 ( 2.763 -0.310 0.143) 2.784 14.231 ( -8.603 -4.123 -5.470) 10.997 14.489 ( 1.002 3.210 14.155) 14.548 14.744 ( 9.812 -0.495 5.187) 11.109 14.950 ( 2.381 0.254 -1.325) 2.737 15.220 ( 7.182 6.675 3.441) 10.392 15.332 ( -3.561 4.372 -0.958) 5.720 15.429 ( -2.160 3.437 6.789) 7.910 15.584 ( 0.683 -0.604 1.717) 1.944 16.111 ( -17.238 -9.290 -25.301) 31.993 16.849 ( -2.969 -7.737 -6.437) 10.493 17.556 ( -12.680 -13.763 -9.395) 20.940 17.620 ( 1.736 -4.313 -5.062) 6.874 18.013 ( 6.111 -8.265 -12.121) 15.893 18.489 ( -12.664 -6.084 -24.631) 28.357 20.022 ( -29.469 -11.992 29.966) 43.706 21.643 ( -2.490 5.360 -1.367) 6.067 22.921 ( 13.626 -3.952 -2.527) 14.411 23.497 ( -1.923 0.613 1.108) 2.302 23.984 ( -1.222 5.356 -0.168) 5.496 24.669 ( 15.205 8.868 12.404) 21.533 ======================= Grid point 21 (16/204) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 35.929 -0.000) 35.929 0.918 ( 0.000 45.848 -0.000) 45.848 1.059 ( 0.000 54.008 -0.000) 54.008 2.660 ( 0.000 20.690 -0.000) 20.690 4.231 ( 0.000 2.812 -0.000) 2.812 4.350 ( 0.000 0.989 -0.000) 0.989 4.603 ( -0.000 -1.800 0.000) 1.800 4.846 ( 0.000 3.635 -0.000) 3.635 4.977 ( -0.000 -11.393 0.000) 11.393 5.883 ( 0.000 2.748 -0.000) 2.748 6.455 ( -0.000 -6.623 0.000) 6.623 6.718 ( -0.000 -0.248 0.000) 0.248 7.140 ( 0.000 3.379 -0.000) 3.379 7.350 ( -0.000 -12.288 0.000) 12.288 7.435 ( 0.000 5.594 -0.000) 5.594 7.614 ( -0.000 -0.917 0.000) 0.917 7.841 ( 0.000 4.889 -0.000) 4.889 8.262 ( -0.000 -1.796 0.000) 1.796 8.730 ( -0.000 -8.735 0.000) 8.735 8.904 ( -0.000 -1.345 0.000) 1.345 9.222 ( -0.000 -6.589 0.000) 6.589 9.350 ( -0.000 -1.878 0.000) 1.878 9.524 ( 0.000 4.768 -0.000) 4.768 9.584 ( 0.000 1.311 -0.000) 1.311 9.913 ( -0.000 -1.007 0.000) 1.007 9.970 ( -0.000 -2.324 0.000) 2.324 10.059 ( 0.000 5.328 -0.000) 5.328 10.445 ( -0.000 -7.507 0.000) 7.507 10.787 ( -0.000 -8.352 0.000) 8.352 10.915 ( 0.000 1.092 -0.000) 1.092 11.188 ( -0.000 -12.747 0.000) 12.747 11.346 ( -0.000 -6.638 0.000) 6.638 11.544 ( -0.000 -3.312 0.000) 3.312 11.564 ( 0.000 1.773 -0.000) 1.773 11.637 ( 0.000 3.326 -0.000) 3.326 11.792 ( 0.000 2.233 -0.000) 2.233 11.825 ( 0.000 2.902 -0.000) 2.902 11.938 ( 0.000 6.702 -0.000) 6.702 12.324 ( -0.000 -8.932 0.000) 8.932 12.614 ( 0.000 0.221 -0.000) 0.221 12.766 ( 0.000 12.254 -0.000) 12.254 13.061 ( -0.000 -5.356 0.000) 5.356 13.490 ( 0.000 0.729 -0.000) 0.729 13.617 ( -0.000 -3.329 0.000) 3.329 13.791 ( 0.000 4.861 -0.000) 4.861 14.032 ( -0.000 -8.762 0.000) 8.762 14.116 ( 0.000 0.177 -0.000) 0.177 14.494 ( 0.000 5.575 -0.000) 5.575 14.959 ( -0.000 -0.113 0.000) 0.113 15.025 ( -0.000 -1.541 0.000) 1.541 15.073 ( 0.000 6.977 -0.000) 6.977 15.330 ( 0.000 0.721 -0.000) 0.721 15.373 ( 0.000 4.626 -0.000) 4.626 15.612 ( -0.000 -0.507 0.000) 0.507 15.645 ( 0.000 4.196 -0.000) 4.196 16.831 ( -0.000 -5.043 0.000) 5.043 17.432 ( -0.000 -0.414 0.000) 0.414 17.613 ( -0.000 -0.007 0.000) 0.007 18.222 ( 0.000 2.479 -0.000) 2.479 18.275 ( -0.000 -14.812 0.000) 14.812 19.814 ( 0.000 2.583 -0.000) 2.583 21.567 ( 0.000 4.754 -0.000) 4.754 23.081 ( -0.000 -4.163 0.000) 4.163 23.468 ( 0.000 0.851 -0.000) 0.851 23.924 ( 0.000 4.386 -0.000) 4.386 24.878 ( -0.000 -2.044 0.000) 2.044 ======================= Grid point 24 (17/204) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 22.020 0.000 24.317) 32.806 2.757 ( 39.734 0.000 9.857) 40.939 3.379 ( 15.210 0.000 -12.611) 19.758 3.471 ( 26.092 0.000 10.611) 28.167 4.147 ( 12.350 0.000 -17.595) 21.497 4.491 ( -8.236 -0.000 -10.986) 13.731 5.163 ( -7.030 -0.000 -19.622) 20.844 5.191 ( 23.271 0.000 -0.888) 23.288 5.466 ( -1.270 -0.000 4.102) 4.294 6.184 ( 2.523 0.000 16.766) 16.955 6.322 ( -7.053 -0.000 4.337) 8.280 6.390 ( 12.227 0.000 7.273) 14.227 7.151 ( 4.213 0.000 17.696) 18.191 7.213 ( -8.882 -0.000 -1.615) 9.028 7.791 ( 0.153 0.000 1.454) 1.462 8.019 ( 1.625 0.000 -12.484) 12.589 8.290 ( 5.006 0.000 -11.083) 12.161 8.551 ( 2.048 0.000 6.043) 6.380 8.734 ( -8.562 -0.000 3.912) 9.414 8.780 ( 3.856 0.000 6.316) 7.400 9.044 ( -2.363 -0.000 5.827) 6.288 9.168 ( -8.552 -0.000 0.961) 8.606 9.406 ( 1.424 0.000 -5.639) 5.816 9.577 ( -2.553 -0.000 -7.889) 8.292 9.769 ( -3.151 -0.000 1.483) 3.483 10.031 ( 7.763 0.000 -0.229) 7.766 10.392 ( 2.004 0.000 -6.504) 6.806 10.440 ( 1.613 0.000 2.540) 3.009 10.694 ( -6.679 -0.000 3.734) 7.652 10.822 ( 5.883 0.000 -4.499) 7.406 11.054 ( 2.290 0.000 -6.846) 7.219 11.110 ( -3.503 -0.000 3.570) 5.001 11.478 ( 2.968 0.000 -3.440) 4.544 11.578 ( -2.061 -0.000 -0.420) 2.103 11.598 ( 0.216 0.000 3.514) 3.521 11.710 ( -7.249 -0.000 6.603) 9.805 11.759 ( -19.565 -0.000 3.637) 19.901 11.951 ( 7.135 0.000 -12.779) 14.636 12.611 ( -6.090 -0.000 8.188) 10.204 12.739 ( 11.391 0.000 -16.504) 20.054 13.068 ( 5.180 0.000 -10.049) 11.305 13.222 ( -10.195 -0.000 13.924) 17.258 13.415 ( 9.475 0.000 -8.597) 12.794 13.470 ( 1.407 0.000 -0.293) 1.437 13.699 ( -8.522 -0.000 -7.963) 11.664 13.760 ( 3.807 0.000 17.789) 18.192 14.118 ( 15.855 0.000 13.462) 20.799 14.250 ( -7.833 -0.000 6.030) 9.885 14.660 ( -1.241 -0.000 -2.730) 2.999 14.780 ( -0.212 -0.000 -0.549) 0.588 14.988 ( -2.789 -0.000 -4.386) 5.197 15.148 ( -1.854 -0.000 2.117) 2.814 15.407 ( -3.306 -0.000 -8.677) 9.285 15.480 ( -0.290 -0.000 4.289) 4.298 16.359 ( -2.119 -0.000 -2.996) 3.670 16.596 ( -8.726 -0.000 -3.159) 9.280 17.442 ( -12.997 -0.000 -10.284) 16.574 18.161 ( 11.990 0.000 2.490) 12.246 18.344 ( -24.543 -0.000 48.269) 54.150 18.349 ( 11.244 0.000 -18.887) 21.981 21.146 ( -26.281 -0.000 2.093) 26.364 21.711 ( 1.655 0.000 10.831) 10.957 22.640 ( 3.924 0.000 -39.437) 39.632 23.438 ( 2.697 0.000 11.714) 12.020 23.893 ( 6.315 0.000 0.896) 6.378 24.037 ( 3.581 0.000 0.248) 3.590 ======================= Grid point 25 (18/204) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 17.942 7.056 21.817) 29.115 3.273 ( 28.330 12.345 2.126) 30.976 3.701 ( 15.202 -15.830 -6.877) 23.000 3.818 ( 22.211 15.489 7.121) 27.999 4.233 ( 7.204 4.830 -19.272) 21.134 4.490 ( 6.081 -18.038 -3.129) 19.291 4.860 ( -10.531 3.293 -17.393) 20.598 5.377 ( 1.494 5.713 1.086) 6.004 5.533 ( -0.787 -11.912 -3.057) 12.324 6.108 ( -12.384 -2.077 6.355) 14.074 6.447 ( 8.461 -3.533 13.030) 15.933 6.600 ( 7.166 0.338 12.042) 14.017 7.048 ( -7.603 4.129 -6.312) 10.710 7.322 ( 6.625 -0.294 19.282) 20.391 7.719 ( -3.541 8.467 -2.677) 9.560 7.912 ( -6.718 -7.734 -9.130) 13.722 8.273 ( -5.053 1.793 -7.330) 9.081 8.580 ( 2.265 4.131 -5.853) 7.513 8.689 ( -10.908 -1.027 -1.567) 11.068 8.729 ( 0.776 -4.273 3.399) 5.514 9.038 ( -0.081 2.425 6.014) 6.485 9.213 ( 7.729 5.660 5.397) 10.995 9.353 ( -1.187 -1.641 -10.421) 10.616 9.508 ( -1.016 2.642 -3.441) 4.456 9.729 ( -0.849 0.522 3.504) 3.643 10.178 ( 6.659 -2.068 2.438) 7.386 10.360 ( -6.404 10.299 4.219) 12.841 10.410 ( 1.547 -1.280 -4.057) 4.527 10.629 ( -5.657 -5.451 4.488) 9.047 10.910 ( 4.566 -1.742 -4.353) 6.545 11.016 ( -0.598 6.329 -1.263) 6.482 11.100 ( -0.441 -1.242 -0.669) 1.478 11.444 ( -8.645 1.573 -0.933) 8.837 11.476 ( -11.118 0.881 3.332) 11.640 11.531 ( 1.602 -1.404 -2.301) 3.135 11.658 ( 4.017 1.539 5.952) 7.344 11.723 ( 1.126 -5.772 1.130) 5.989 12.034 ( 6.024 -3.657 -8.727) 11.217 12.534 ( -5.597 0.944 7.207) 9.174 12.780 ( 3.120 -0.416 -15.813) 16.123 13.012 ( -7.922 8.760 2.591) 12.091 13.098 ( -8.879 -0.632 1.925) 9.107 13.402 ( 4.304 7.725 -5.431) 10.378 13.588 ( 4.419 -2.055 -5.735) 7.526 13.648 ( 0.732 -14.000 -6.815) 15.587 13.900 ( 2.848 -3.925 15.703) 16.435 14.147 ( -6.340 0.143 2.616) 6.860 14.467 ( 16.013 0.887 17.100) 23.444 14.649 ( 1.366 1.638 1.901) 2.858 14.790 ( 0.695 0.089 -0.141) 0.715 14.946 ( -0.725 -3.376 -3.602) 4.990 15.136 ( 0.212 1.798 2.472) 3.064 15.281 ( -7.904 -1.165 -10.117) 12.891 15.498 ( 0.667 -0.656 3.104) 3.242 16.321 ( 0.274 0.401 -6.046) 6.066 16.446 ( -8.495 0.729 -0.373) 8.535 17.182 ( -11.958 2.011 -9.926) 15.671 18.137 ( -24.231 -2.160 37.691) 44.860 18.330 ( 12.697 5.070 -6.832) 15.284 18.506 ( 13.236 -4.594 -14.015) 19.818 20.743 ( -24.324 0.404 6.320) 25.135 21.783 ( 1.013 0.168 12.699) 12.740 22.468 ( 3.599 12.797 -31.511) 34.200 23.531 ( 1.315 -2.310 5.533) 6.139 24.035 ( 5.997 -5.474 2.345) 8.451 24.103 ( 3.569 -1.911 0.240) 4.055 ======================= Grid point 26 (19/204) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 12.811 19.634 17.943) 29.523 3.553 ( 17.376 6.278 -4.500) 19.015 3.738 ( 10.737 26.817 0.508) 28.890 4.099 ( -0.003 -4.330 -10.592) 11.443 4.184 ( 5.698 0.749 -8.124) 9.952 4.709 ( 1.462 -3.683 2.545) 4.709 4.862 ( 8.356 -11.739 -3.418) 14.809 5.344 ( 3.144 -3.525 -0.059) 4.724 5.548 ( -11.214 -14.749 -10.236) 21.167 5.971 ( -9.370 -2.355 4.743) 10.763 6.614 ( -0.041 -3.430 6.621) 7.457 6.719 ( 5.558 3.537 15.974) 17.279 6.849 ( -5.435 7.234 -8.300) 12.278 7.455 ( -1.860 -0.818 13.080) 13.237 7.607 ( -0.367 3.334 -2.476) 4.169 7.831 ( -12.530 -6.222 -10.136) 17.276 8.127 ( -0.636 1.067 -2.121) 2.458 8.401 ( -16.485 0.111 3.399) 16.832 8.611 ( 0.990 1.684 -2.917) 3.511 8.847 ( 1.444 -8.248 -2.609) 8.771 9.031 ( 0.872 3.624 2.327) 4.394 9.086 ( -6.603 7.643 -10.124) 14.301 9.362 ( 1.064 8.421 -7.164) 11.108 9.530 ( 5.294 -3.155 4.559) 7.665 9.773 ( 2.211 -1.790 3.993) 4.903 10.132 ( -7.464 9.734 1.410) 12.348 10.263 ( 1.037 4.171 5.926) 7.321 10.458 ( 0.812 -4.378 -0.770) 4.519 10.586 ( -7.806 -4.324 4.175) 9.852 10.890 ( -1.068 5.764 -2.047) 6.209 11.007 ( 3.848 -1.437 -2.695) 4.913 11.088 ( -1.284 2.258 2.921) 3.909 11.289 ( -10.408 -3.563 0.955) 11.042 11.421 ( -1.195 -3.317 8.247) 8.969 11.582 ( 4.654 -0.244 -4.691) 6.613 11.743 ( 7.586 4.031 2.056) 8.833 11.851 ( 8.597 -4.161 -3.037) 10.022 12.129 ( 3.366 -4.863 -3.798) 7.029 12.494 ( -2.654 0.040 6.753) 7.256 12.712 ( -10.069 3.597 0.656) 10.713 12.807 ( -1.891 3.466 -6.963) 8.005 12.919 ( -13.911 -1.236 2.673) 14.220 13.384 ( 3.818 4.395 -9.097) 10.801 13.670 ( 5.640 -1.619 -2.144) 6.248 13.780 ( 1.802 -10.755 -7.351) 13.151 14.021 ( -3.116 -3.544 11.781) 12.691 14.097 ( -0.026 -2.789 2.269) 3.595 14.593 ( 1.714 3.466 -1.566) 4.172 14.705 ( -0.744 0.962 2.996) 3.233 14.854 ( 7.773 0.920 12.224) 14.516 14.973 ( -0.922 -2.059 -6.982) 7.337 15.113 ( -0.365 1.637 -3.221) 3.631 15.215 ( 3.724 -3.286 2.724) 5.664 15.550 ( 3.047 -1.707 2.255) 4.157 16.306 ( 0.711 -0.508 -9.774) 9.813 16.317 ( -5.271 1.860 3.554) 6.624 16.965 ( -8.943 -0.423 -7.775) 11.857 17.919 ( -24.192 -5.070 28.065) 37.398 18.424 ( 11.618 6.539 -14.262) 19.523 18.697 ( 10.171 -3.239 -8.858) 13.871 20.432 ( -19.562 -2.665 9.294) 21.821 21.849 ( 1.488 1.189 14.340) 14.466 22.289 ( 5.457 12.516 -26.920) 30.185 23.567 ( 0.757 0.733 1.730) 2.026 24.147 ( 2.388 -1.763 1.414) 3.288 24.222 ( 5.241 -6.090 2.025) 8.286 ======================= Grid point 27 (20/204) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 7.853 27.804 17.216) 33.632 3.501 ( -3.195 16.985 -6.908) 18.613 3.704 ( 3.248 12.661 -0.737) 13.091 3.916 ( 0.870 12.200 -18.256) 21.975 4.345 ( 4.898 -2.256 11.143) 12.379 4.651 ( -6.859 -4.603 -0.344) 8.267 5.079 ( 1.682 -1.822 -3.539) 4.321 5.388 ( -15.951 -12.956 -4.219) 20.979 5.454 ( 4.110 3.501 -1.570) 5.622 6.014 ( 5.393 -12.529 -0.935) 13.673 6.533 ( -10.520 0.685 -8.713) 13.677 6.680 ( -6.946 7.158 6.593) 11.956 6.865 ( 7.467 3.179 11.186) 13.820 7.372 ( -13.681 -9.503 -3.006) 16.926 7.557 ( -2.163 5.501 2.366) 6.367 7.659 ( -2.857 -0.069 -4.035) 4.945 8.144 ( -10.547 -2.392 6.654) 12.698 8.265 ( 0.027 -8.195 0.467) 8.208 8.569 ( -2.836 0.375 -2.038) 3.512 8.847 ( -7.417 7.355 -9.722) 14.269 8.884 ( -5.151 -6.199 0.989) 8.120 9.033 ( 1.040 0.781 -4.588) 4.769 9.245 ( 1.791 7.840 -5.837) 9.937 9.662 ( 4.394 -2.056 2.258) 5.352 9.833 ( 2.348 -2.523 -1.320) 3.691 9.975 ( -3.689 6.001 5.244) 8.781 10.182 ( -6.025 6.261 5.870) 10.486 10.467 ( -2.182 -1.927 -0.545) 2.962 10.561 ( -5.770 -6.850 3.316) 9.550 10.837 ( 0.058 4.030 1.340) 4.247 11.001 ( -7.532 1.363 3.184) 8.290 11.072 ( 2.179 -2.258 -1.440) 3.452 11.257 ( 0.797 -3.473 -0.348) 3.580 11.516 ( 5.860 -0.601 8.570) 10.400 11.630 ( 3.546 0.674 -3.867) 5.289 11.841 ( 8.759 3.263 -1.415) 9.453 12.006 ( 6.557 -2.290 -6.996) 9.858 12.198 ( 0.114 -3.077 4.247) 5.246 12.396 ( -11.556 1.954 1.163) 11.777 12.573 ( -3.766 -0.401 9.165) 9.917 12.745 ( -7.292 -1.938 4.999) 9.051 12.811 ( 1.060 -4.061 -5.010) 6.536 13.345 ( -0.269 2.644 -7.619) 8.069 13.746 ( 1.220 0.716 0.084) 1.417 13.838 ( 0.977 -6.118 -9.871) 11.655 14.022 ( -2.619 -4.071 4.503) 6.611 14.140 ( -2.661 -2.563 4.864) 6.108 14.548 ( -3.085 -1.671 -4.995) 6.104 14.707 ( 4.324 5.243 0.517) 6.816 14.864 ( -1.041 0.404 -7.829) 7.908 15.031 ( 5.934 4.416 2.275) 7.739 15.150 ( 5.911 -1.083 4.939) 7.778 15.379 ( 6.416 -3.484 7.002) 10.116 15.629 ( 3.432 -0.288 1.190) 3.644 16.248 ( -1.631 1.217 6.356) 6.674 16.337 ( 4.448 -4.462 -8.440) 10.533 16.847 ( -5.585 -4.546 -5.890) 9.303 17.700 ( -22.825 -7.704 19.419) 30.943 18.440 ( 6.147 6.475 -18.431) 20.479 18.797 ( 3.422 -0.449 -5.626) 6.600 20.244 ( -13.577 -4.135 10.288) 17.529 21.924 ( 0.536 1.307 15.321) 15.386 22.199 ( 10.619 8.109 -24.499) 27.905 23.567 ( 0.712 2.112 0.376) 2.261 24.188 ( 1.289 0.272 0.717) 1.500 24.366 ( 4.500 -4.521 3.329) 7.196 ======================= Grid point 28 (21/204) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 3.274 33.288 17.432) 37.718 3.113 ( -15.439 23.588 -6.804) 29.001 3.552 ( -14.510 -8.748 -9.580) 19.464 3.843 ( 17.845 26.501 3.249) 32.114 4.339 ( -7.149 2.441 3.367) 8.270 4.641 ( -9.771 -4.769 -4.096) 11.619 4.852 ( -16.251 10.263 -11.646) 22.474 5.195 ( -1.234 5.088 7.230) 8.927 5.628 ( 7.135 -8.120 -1.293) 10.886 6.081 ( -10.740 4.969 -5.478) 13.040 6.326 ( -11.885 -2.468 0.842) 12.168 6.510 ( -3.524 1.548 1.957) 4.318 6.909 ( -1.736 -3.307 -6.653) 7.629 7.401 ( 1.246 -10.933 9.611) 14.610 7.481 ( -3.152 0.385 2.017) 3.762 7.672 ( 6.560 2.046 -5.231) 8.637 7.985 ( -14.796 -0.222 10.445) 18.112 8.318 ( -1.031 -2.301 -6.391) 6.870 8.572 ( -1.592 -10.372 -1.366) 10.582 8.640 ( -6.847 3.015 -6.992) 10.240 8.868 ( -0.436 -2.284 1.909) 3.009 8.987 ( -2.117 -0.579 -3.146) 3.836 9.280 ( 6.490 -0.843 -5.014) 8.244 9.715 ( 4.408 2.581 -1.652) 5.368 9.845 ( -3.537 4.000 4.654) 7.083 9.975 ( 2.709 -5.162 2.095) 6.195 10.075 ( -5.133 -2.005 3.070) 6.308 10.455 ( -1.208 0.705 2.547) 2.905 10.501 ( -11.196 -7.930 2.024) 13.868 10.795 ( -0.835 5.493 1.165) 5.677 10.908 ( -3.768 -0.297 2.335) 4.443 11.109 ( 0.943 -1.740 -2.264) 3.007 11.306 ( 0.573 -3.496 -0.496) 3.577 11.628 ( 3.723 2.882 -4.843) 6.755 11.699 ( 8.712 0.108 6.844) 11.079 11.928 ( 2.892 1.085 -1.015) 3.252 11.979 ( -5.165 -1.167 -5.701) 7.781 12.170 ( -4.084 2.489 -2.519) 5.405 12.317 ( -2.931 -2.816 10.244) 11.021 12.534 ( -5.783 -3.746 4.432) 8.193 12.777 ( 0.938 -4.089 12.090) 12.797 12.900 ( 6.084 -4.233 -3.892) 8.372 13.258 ( -4.106 2.656 -3.816) 6.202 13.668 ( -3.723 2.303 -7.347) 8.553 13.900 ( 1.241 -3.264 2.599) 4.353 14.050 ( -0.992 -4.008 -0.422) 4.151 14.123 ( -1.861 -1.871 -1.903) 3.254 14.518 ( -1.974 -3.373 -1.410) 4.154 14.687 ( 3.038 7.824 -6.138) 10.398 14.874 ( 4.293 0.062 -4.057) 5.907 15.078 ( 7.419 3.919 -2.618) 8.790 15.299 ( 6.858 0.767 8.475) 10.929 15.499 ( 1.367 -2.563 6.403) 7.031 15.653 ( 1.740 3.901 0.535) 4.305 16.262 ( 0.580 1.133 3.599) 3.818 16.508 ( 9.642 -9.793 -3.007) 14.068 16.832 ( -1.906 -10.104 -2.690) 10.628 17.510 ( -19.438 -10.168 11.452) 24.747 18.332 ( -1.801 6.185 -20.047) 21.057 18.775 ( -3.393 0.067 -4.696) 5.794 20.143 ( -9.195 -2.667 10.333) 14.087 21.921 ( -2.417 3.901 5.021) 6.802 22.308 ( 16.420 0.164 -12.204) 20.459 23.557 ( 0.818 2.468 0.157) 2.605 24.189 ( 0.433 2.536 0.235) 2.583 24.485 ( 4.366 -2.200 4.507) 6.649 ======================= Grid point 29 (22/204) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -3.761 36.571 9.326) 37.928 2.572 ( -14.413 30.390 2.170) 33.704 3.368 ( -12.881 -4.595 -6.298) 15.057 3.964 ( 16.363 15.145 18.388) 28.900 3.990 ( -26.438 23.856 -16.163) 39.106 4.364 ( -7.155 5.988 -2.925) 9.778 4.498 ( -10.556 -0.391 -9.329) 14.093 5.316 ( 6.662 5.408 6.925) 11.027 5.574 ( -16.224 3.833 -5.244) 17.476 5.810 ( -8.086 3.102 -3.250) 9.251 6.180 ( -2.793 -2.838 5.376) 6.690 6.585 ( 2.977 -4.505 1.211) 5.534 6.894 ( -5.462 -12.710 -8.601) 16.290 7.440 ( -2.249 -1.142 6.073) 6.576 7.554 ( 0.089 -0.024 0.117) 0.149 7.698 ( -5.257 3.667 8.296) 10.484 7.842 ( 5.913 3.602 -3.707) 7.853 8.290 ( -3.035 -5.489 -7.581) 9.840 8.515 ( -6.394 -2.041 1.469) 6.871 8.662 ( 0.293 -13.051 -6.109) 14.413 8.950 ( 2.246 -1.074 -2.938) 3.851 9.011 ( 5.659 -6.489 5.437) 10.183 9.341 ( 0.993 -1.797 -2.266) 3.058 9.746 ( -3.266 3.073 2.410) 5.091 9.792 ( 4.976 0.144 -1.382) 5.166 10.030 ( 0.991 -0.388 4.511) 4.634 10.126 ( -2.411 -13.687 -6.188) 15.213 10.371 ( -9.046 -3.986 8.327) 12.925 10.475 ( -2.046 -2.156 -1.217) 3.211 10.715 ( -1.111 5.725 2.527) 6.356 10.905 ( 0.338 -2.282 1.131) 2.570 11.123 ( 0.058 -1.995 -3.207) 3.777 11.355 ( 2.740 -2.249 0.733) 3.620 11.612 ( -0.870 -0.237 -4.267) 4.361 11.814 ( -8.702 -2.447 -3.909) 9.849 11.859 ( 6.779 -0.491 0.110) 6.798 11.982 ( 0.315 4.989 9.800) 11.002 12.094 ( 0.028 -1.114 -10.042) 10.104 12.262 ( -11.677 -1.874 6.909) 13.697 12.565 ( 3.103 -1.441 6.733) 7.553 12.870 ( -0.179 -2.408 5.742) 6.229 12.979 ( -0.614 -1.520 -2.814) 3.257 13.209 ( 3.997 0.786 5.250) 6.645 13.599 ( 1.552 1.543 -5.729) 6.133 13.907 ( -6.868 0.216 6.334) 9.345 14.042 ( 3.012 1.662 -6.954) 7.758 14.134 ( -1.311 -7.229 -5.193) 8.997 14.518 ( -4.204 -4.761 -1.597) 6.549 14.664 ( 7.757 7.421 0.183) 10.737 14.922 ( 3.642 0.480 -3.251) 4.906 15.181 ( 9.756 2.677 -1.294) 10.199 15.402 ( 4.777 1.821 3.296) 6.083 15.544 ( -1.869 -1.623 7.668) 8.058 15.626 ( 1.198 6.904 1.268) 7.121 16.233 ( -3.459 1.211 -5.027) 6.221 16.674 ( -0.166 -7.017 -0.657) 7.049 17.040 ( 9.996 -18.801 0.586) 21.301 17.389 ( -12.222 -10.439 5.950) 17.139 18.116 ( -7.471 4.478 -19.062) 20.958 18.652 ( -9.591 -0.584 -5.246) 10.948 20.068 ( -7.342 0.331 10.391) 12.727 21.845 ( -2.277 4.990 -0.030) 5.485 22.560 ( 15.337 -4.599 -5.556) 16.948 23.546 ( 0.669 2.505 0.325) 2.614 24.156 ( -0.152 4.570 -0.115) 4.574 24.594 ( 5.170 -0.750 5.512) 7.594 ======================= Grid point 30 (23/204) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -8.672 34.494 -5.129) 35.935 2.134 ( -3.031 40.030 18.951) 44.393 2.969 ( -25.487 38.402 -14.337) 48.268 3.308 ( -10.130 11.804 -6.107) 16.711 4.171 ( 5.367 -1.244 18.297) 19.109 4.310 ( 8.481 8.227 0.022) 11.815 4.382 ( -3.935 -6.552 -8.584) 11.493 5.133 ( -12.207 8.856 -2.792) 15.337 5.253 ( -11.254 13.300 -4.705) 18.046 5.811 ( 3.194 -5.208 2.482) 6.594 6.248 ( -0.184 -6.583 2.253) 6.960 6.673 ( 3.924 -1.454 1.783) 4.549 6.917 ( -5.746 -16.753 -5.856) 18.654 7.342 ( -11.130 4.378 -0.146) 11.961 7.498 ( 5.104 3.500 3.592) 7.156 7.687 ( -2.200 -0.149 4.676) 5.169 7.927 ( 9.902 7.793 -4.953) 13.539 8.260 ( -3.733 -4.891 -5.476) 8.237 8.475 ( -5.724 -8.092 2.744) 10.285 8.801 ( 3.632 -9.139 -0.740) 9.862 8.958 ( -2.342 -7.556 -5.997) 9.927 9.249 ( 10.756 -1.748 5.379) 12.153 9.370 ( 1.754 -4.347 3.376) 5.777 9.694 ( -2.393 -1.091 -1.723) 3.144 9.830 ( 0.359 -0.260 -0.847) 0.956 10.059 ( -13.724 -7.819 -6.032) 16.908 10.108 ( 6.593 0.784 -0.783) 6.686 10.389 ( -6.861 1.769 1.812) 7.314 10.427 ( 0.855 -10.453 4.739) 11.509 10.766 ( 7.380 -2.319 3.801) 8.619 10.949 ( 0.151 -3.602 -0.167) 3.609 11.135 ( 0.397 -4.062 -4.067) 5.761 11.447 ( 4.735 -1.699 -0.046) 5.030 11.575 ( -3.682 -3.788 -2.399) 5.801 11.724 ( -1.256 1.241 -3.517) 3.935 11.858 ( -5.768 1.432 10.374) 11.956 12.015 ( -0.718 3.375 -1.015) 3.597 12.042 ( -2.836 -1.480 -3.911) 5.053 12.140 ( -2.916 -2.240 -0.655) 3.735 12.640 ( 0.357 -0.247 -0.693) 0.817 12.878 ( 3.977 2.523 7.955) 9.244 12.986 ( 2.333 1.560 0.095) 2.808 13.354 ( 5.158 -3.426 9.959) 11.727 13.616 ( 3.162 0.934 -8.223) 8.859 13.777 ( -3.791 4.476 3.827) 7.004 14.067 ( 0.380 -1.425 -4.846) 5.066 14.123 ( -5.175 -4.565 -5.604) 8.889 14.473 ( -5.192 -5.317 1.300) 7.544 14.794 ( 11.800 2.858 5.105) 13.170 14.954 ( 2.032 0.090 -2.045) 2.885 15.299 ( 7.304 3.290 2.924) 8.528 15.455 ( 3.236 3.262 -3.639) 5.861 15.500 ( -4.483 4.497 6.470) 9.066 15.591 ( 0.298 3.458 3.280) 4.775 16.053 ( -12.345 2.173 -15.269) 19.755 16.685 ( -5.567 -8.333 -2.055) 10.230 17.384 ( -2.075 -5.788 5.457) 8.221 17.407 ( 10.101 -17.527 -0.977) 20.253 17.894 ( -7.121 -1.354 -14.216) 15.957 18.450 ( -12.259 0.751 -3.605) 12.800 19.980 ( -6.082 3.592 8.908) 11.369 21.758 ( -1.518 5.853 -0.799) 6.100 22.810 ( 9.846 -7.070 -2.659) 12.410 23.528 ( 0.032 2.626 0.391) 2.655 24.098 ( -0.393 5.911 -0.190) 5.927 24.716 ( 5.743 -1.615 5.192) 7.909 ======================= Grid point 31 (24/204) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 34.733 -0.000) 34.733 1.795 ( 0.000 42.531 -0.000) 42.531 2.132 ( 0.000 54.406 -0.000) 54.406 3.102 ( 0.000 18.912 -0.000) 18.912 4.245 ( -0.000 -1.694 0.000) 1.694 4.396 ( 0.000 4.015 -0.000) 4.015 4.423 ( -0.000 -12.626 0.000) 12.626 4.945 ( 0.000 6.206 -0.000) 6.206 4.983 ( 0.000 11.836 -0.000) 11.836 5.887 ( -0.000 -2.527 0.000) 2.527 6.311 ( -0.000 -7.026 0.000) 7.026 6.720 ( 0.000 0.572 -0.000) 0.572 7.028 ( -0.000 -18.801 0.000) 18.801 7.208 ( 0.000 3.069 -0.000) 3.069 7.546 ( 0.000 4.550 -0.000) 4.550 7.632 ( 0.000 2.299 -0.000) 2.299 7.940 ( 0.000 5.657 -0.000) 5.657 8.229 ( -0.000 -0.973 0.000) 0.973 8.534 ( -0.000 -11.241 0.000) 11.241 8.875 ( -0.000 -0.803 0.000) 0.803 9.031 ( -0.000 -12.988 0.000) 12.988 9.322 ( -0.000 -0.917 0.000) 0.917 9.571 ( -0.000 -3.502 0.000) 3.502 9.586 ( 0.000 1.331 -0.000) 1.331 9.901 ( -0.000 -4.158 0.000) 4.158 9.903 ( -0.000 -1.405 0.000) 1.405 10.155 ( 0.000 4.009 -0.000) 4.009 10.324 ( -0.000 -3.198 0.000) 3.198 10.569 ( -0.000 -12.565 0.000) 12.565 10.915 ( -0.000 -0.976 0.000) 0.976 10.967 ( -0.000 -8.793 0.000) 8.793 11.202 ( -0.000 -7.522 0.000) 7.522 11.475 ( -0.000 -3.370 0.000) 3.370 11.597 ( 0.000 1.374 -0.000) 1.374 11.682 ( 0.000 1.353 -0.000) 1.353 11.843 ( 0.000 1.894 -0.000) 1.894 11.876 ( 0.000 1.798 -0.000) 1.798 12.054 ( 0.000 4.616 -0.000) 4.616 12.161 ( -0.000 -6.749 0.000) 6.749 12.616 ( 0.000 0.090 -0.000) 0.090 12.975 ( 0.000 7.758 -0.000) 7.758 12.981 ( -0.000 -2.349 0.000) 2.349 13.458 ( -0.000 -3.347 0.000) 3.347 13.584 ( 0.000 0.446 -0.000) 0.446 13.889 ( 0.000 4.879 -0.000) 4.879 13.890 ( -0.000 -6.035 0.000) 6.035 14.114 ( -0.000 -0.558 0.000) 0.558 14.495 ( -0.000 -4.953 0.000) 4.953 14.954 ( -0.000 -0.848 0.000) 0.848 14.978 ( -0.000 -2.621 0.000) 2.621 15.292 ( 0.000 13.635 -0.000) 13.635 15.357 ( 0.000 1.995 -0.000) 1.995 15.475 ( 0.000 4.921 -0.000) 4.921 15.600 ( -0.000 -0.670 0.000) 0.670 15.772 ( 0.000 8.517 -0.000) 8.517 16.701 ( -0.000 -7.572 0.000) 7.572 17.419 ( -0.000 -0.878 0.000) 0.878 17.585 ( -0.000 -4.751 0.000) 4.751 17.921 ( -0.000 -17.480 0.000) 17.480 18.287 ( 0.000 3.867 -0.000) 3.867 19.893 ( 0.000 5.401 -0.000) 5.401 21.682 ( 0.000 6.347 -0.000) 6.347 22.964 ( -0.000 -7.469 0.000) 7.469 23.501 ( 0.000 2.526 -0.000) 2.526 24.032 ( 0.000 6.204 -0.000) 6.204 24.820 ( -0.000 -3.789 0.000) 3.789 ======================= Grid point 36 (25/204) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( 17.079 0.000 25.044) 30.314 3.725 ( 14.216 0.000 -15.091) 20.733 3.808 ( 16.379 0.000 6.849) 17.753 4.156 ( -11.559 -0.000 -23.863) 26.515 4.351 ( 19.067 0.000 10.328) 21.685 4.516 ( 19.000 0.000 -13.244) 23.160 4.708 ( -0.064 -0.000 -3.172) 3.173 5.336 ( -8.254 -0.000 1.235) 8.346 5.372 ( -8.632 -0.000 -6.883) 11.040 5.942 ( -9.617 -0.000 7.795) 12.379 6.571 ( 2.860 0.000 10.033) 10.432 6.761 ( 4.126 0.000 18.367) 18.825 6.939 ( -4.887 -0.000 -11.903) 12.868 7.441 ( -5.654 -0.000 6.527) 8.635 7.634 ( -4.724 -0.000 -0.135) 4.726 7.751 ( -2.164 -0.000 -4.664) 5.142 8.169 ( -7.263 -0.000 -3.323) 7.987 8.401 ( -18.435 -0.000 1.246) 18.477 8.643 ( 1.318 0.000 -2.053) 2.440 8.735 ( 2.600 0.000 -4.910) 5.555 9.070 ( -0.392 -0.000 3.043) 3.069 9.169 ( -7.007 -0.000 -16.407) 17.840 9.448 ( 7.790 0.000 4.660) 9.077 9.514 ( -0.176 -0.000 -4.620) 4.623 9.746 ( 1.457 0.000 5.502) 5.692 10.246 ( -3.324 -0.000 -0.777) 3.413 10.326 ( -4.444 -0.000 10.977) 11.843 10.419 ( 1.681 0.000 -4.525) 4.827 10.494 ( -7.144 -0.000 9.384) 11.794 10.967 ( 4.615 0.000 -5.644) 7.290 11.007 ( -4.199 -0.000 -1.182) 4.362 11.113 ( -0.497 -0.000 3.157) 3.196 11.219 ( -10.581 -0.000 -3.181) 11.049 11.386 ( -3.088 -0.000 12.506) 12.881 11.586 ( 5.893 0.000 -5.085) 7.784 11.766 ( 6.380 0.000 -1.661) 6.592 11.826 ( 11.439 0.000 2.232) 11.655 12.076 ( 4.125 0.000 -4.305) 5.962 12.495 ( -3.464 -0.000 8.772) 9.431 12.729 ( -2.222 -0.000 -12.765) 12.957 12.853 ( -16.411 -0.000 11.613) 20.104 12.925 ( -11.852 -0.000 -6.318) 13.430 13.483 ( 2.487 0.000 -11.960) 12.216 13.592 ( 4.918 0.000 -5.274) 7.211 13.653 ( 6.454 0.000 -2.146) 6.801 13.982 ( 0.478 0.000 17.481) 17.487 14.079 ( -1.768 -0.000 -2.389) 2.972 14.641 ( -4.382 -0.000 -0.747) 4.445 14.701 ( 3.535 0.000 1.515) 3.846 14.856 ( 8.444 0.000 13.132) 15.612 14.951 ( 0.125 0.000 -4.284) 4.286 15.148 ( 2.037 0.000 -3.366) 3.935 15.168 ( 1.280 0.000 1.540) 2.002 15.532 ( 2.778 0.000 2.430) 3.691 16.300 ( 0.882 0.000 -10.951) 10.986 16.338 ( -6.016 -0.000 3.806) 7.118 16.963 ( -10.454 -0.000 -10.394) 14.742 17.865 ( -24.925 -0.000 29.068) 38.291 18.518 ( 9.230 0.000 -7.152) 11.677 18.638 ( 13.252 0.000 -14.235) 19.449 20.406 ( -20.235 -0.000 9.191) 22.225 21.861 ( 0.695 0.000 16.738) 16.752 22.434 ( 2.504 0.000 -32.678) 32.774 23.569 ( 1.489 0.000 4.457) 4.699 24.130 ( 6.737 0.000 3.600) 7.639 24.150 ( 3.468 0.000 0.267) 3.479 ======================= Grid point 37 (26/204) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 14.090 18.320 22.670) 32.374 3.744 ( -12.837 6.288 -26.638) 30.231 3.829 ( 3.828 4.477 -15.743) 16.809 4.069 ( 7.411 -6.393 9.885) 13.911 4.450 ( 3.996 13.199 5.812) 14.966 4.625 ( -4.276 6.427 -2.913) 8.251 4.939 ( 14.066 -13.893 -0.782) 19.786 5.173 ( -14.748 -4.901 -6.334) 16.782 5.396 ( 11.089 -7.049 1.656) 13.244 5.861 ( -3.758 -2.703 2.999) 5.516 6.591 ( -4.509 3.191 1.615) 5.755 6.760 ( -7.250 1.214 -4.955) 8.865 6.922 ( 6.292 2.248 17.771) 18.986 7.214 ( -17.603 -4.785 -10.604) 21.100 7.660 ( -4.404 3.499 6.306) 8.451 7.683 ( 1.112 1.347 -0.340) 1.780 8.079 ( -3.411 -3.820 -0.965) 5.211 8.139 ( -15.632 -2.452 6.053) 16.941 8.611 ( -2.813 3.205 -2.847) 5.128 8.744 ( -3.030 -6.440 -4.487) 8.414 8.986 ( -4.647 4.844 -14.860) 16.306 9.048 ( -1.218 0.239 -5.012) 5.163 9.411 ( -2.458 7.533 -6.063) 9.977 9.584 ( 4.269 -4.732 2.113) 6.714 9.797 ( 0.413 -1.109 4.322) 4.481 10.092 ( -6.568 4.664 -0.065) 8.056 10.305 ( -6.835 4.502 9.753) 12.732 10.399 ( -5.583 -5.512 0.894) 7.896 10.472 ( -1.358 -0.366 6.145) 6.304 10.919 ( -1.945 4.183 2.765) 5.378 10.998 ( -10.893 -2.379 3.361) 11.645 11.026 ( 2.995 -1.876 -3.726) 5.136 11.196 ( 2.485 -1.715 -3.020) 4.270 11.490 ( 6.983 -1.110 12.875) 14.688 11.655 ( 6.102 1.314 -7.312) 9.613 11.878 ( 8.396 0.303 -2.539) 8.777 12.008 ( 8.684 2.308 -1.065) 9.049 12.117 ( 0.727 -4.238 1.987) 4.737 12.462 ( -8.059 3.752 4.530) 9.978 12.556 ( -10.815 -1.502 1.368) 11.004 12.688 ( -10.961 -2.691 11.493) 16.108 12.782 ( 0.895 0.178 -9.555) 9.598 13.424 ( 0.222 5.007 -8.869) 10.187 13.661 ( -0.991 -8.697 -7.899) 11.791 13.753 ( 5.535 -0.148 1.539) 5.747 14.014 ( -2.818 1.474 11.023) 11.472 14.082 ( 0.417 -2.616 -1.019) 2.838 14.512 ( -7.090 -1.334 -6.023) 9.398 14.772 ( 5.722 1.663 -0.554) 5.984 14.858 ( -3.115 -0.430 -9.244) 9.764 15.079 ( 10.526 -0.036 12.643) 16.452 15.176 ( 3.015 3.215 -0.613) 4.450 15.315 ( 8.733 -2.679 6.109) 10.989 15.609 ( 4.733 -0.964 2.204) 5.309 16.263 ( 0.679 -0.359 -9.479) 9.510 16.295 ( -1.175 0.150 4.381) 4.538 16.786 ( -7.243 -1.596 -9.167) 11.792 17.589 ( -23.827 -3.099 20.608) 31.655 18.557 ( 3.791 4.260 -12.948) 14.148 18.767 ( 5.114 -1.841 -6.257) 8.288 20.197 ( -10.670 -0.969 8.091) 13.426 21.939 ( -0.297 0.333 19.301) 19.307 22.334 ( 5.245 4.267 -29.916) 30.671 23.599 ( 1.168 0.907 1.701) 2.254 24.199 ( 3.506 1.175 0.803) 3.783 24.273 ( 5.705 -3.955 3.434) 7.745 ======================= Grid point 38 (27/204) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.257 ( 9.165 31.309 18.821) 37.662 3.343 ( -17.431 -1.938 -25.769) 31.171 3.630 ( -10.462 17.921 -6.676) 21.799 4.282 ( -0.035 -1.431 0.337) 1.470 4.302 ( -2.645 2.415 8.594) 9.311 4.574 ( 4.469 7.410 0.900) 8.700 4.959 ( -7.919 0.153 -8.411) 11.554 5.149 ( -6.641 -6.720 7.080) 11.807 5.597 ( 10.590 1.708 1.702) 10.861 6.011 ( 10.692 -12.004 -1.420) 16.138 6.313 ( -16.254 8.625 -11.050) 21.463 6.678 ( -5.000 4.564 9.088) 11.332 6.848 ( -16.959 -1.629 -14.615) 22.447 7.183 ( 8.341 -6.549 16.540) 19.648 7.554 ( -5.322 5.653 6.732) 10.276 7.702 ( 5.495 1.104 -5.102) 7.580 7.947 ( -12.931 -2.532 8.706) 15.793 8.174 ( -0.518 -13.442 0.142) 13.453 8.479 ( -5.825 2.809 -7.426) 9.847 8.689 ( -9.750 -2.056 -2.325) 10.232 8.856 ( 2.993 3.110 -9.792) 10.701 8.988 ( -3.015 -0.083 -7.792) 8.356 9.305 ( 1.099 2.936 -6.269) 7.009 9.710 ( 3.644 -3.891 3.285) 6.262 9.815 ( -0.601 -3.019 -1.535) 3.440 9.980 ( -4.032 3.638 3.454) 6.436 10.119 ( -10.933 4.695 4.769) 12.818 10.349 ( -11.163 -6.999 6.019) 14.485 10.480 ( 0.954 1.868 2.579) 3.324 10.860 ( -5.586 -1.282 4.464) 7.264 10.913 ( -0.963 2.490 0.612) 2.739 11.077 ( 2.019 -1.516 -1.766) 3.081 11.245 ( 2.332 -2.172 -1.909) 3.714 11.678 ( 6.976 -1.571 9.004) 11.498 11.681 ( 3.531 2.746 -7.102) 8.393 11.936 ( -9.425 1.122 -0.745) 9.521 12.004 ( 9.253 1.548 -7.404) 11.952 12.224 ( -6.517 -5.184 6.951) 10.847 12.235 ( -5.526 2.900 -0.553) 6.265 12.489 ( -3.477 -1.372 8.990) 9.736 12.698 ( 0.794 -3.261 11.980) 12.441 12.832 ( 6.392 -2.550 -5.136) 8.587 13.334 ( -1.857 5.091 -3.497) 6.450 13.641 ( -5.391 -6.047 -7.742) 11.206 13.842 ( 3.538 -0.642 3.297) 4.878 13.999 ( -2.219 -0.551 5.787) 6.222 14.091 ( -0.899 -1.936 -4.079) 4.604 14.430 ( -4.095 -4.624 -4.723) 7.776 14.778 ( 0.316 1.825 -7.828) 8.044 14.870 ( 5.881 0.137 -4.022) 7.126 15.177 ( 5.315 4.887 -0.692) 7.253 15.308 ( 9.123 0.169 9.743) 13.349 15.454 ( 3.022 -1.785 3.660) 5.071 15.696 ( 3.956 0.494 1.680) 4.326 16.300 ( 1.971 1.701 8.361) 8.757 16.337 ( 7.269 -5.749 -7.683) 12.038 16.689 ( -4.821 -4.886 -6.311) 9.324 17.349 ( -19.575 -5.832 13.425) 24.442 18.450 ( -3.536 5.158 -16.811) 17.936 18.767 ( -4.736 -0.699 0.131) 4.789 20.133 ( -2.070 0.599 5.026) 5.468 21.978 ( -2.893 1.701 13.384) 13.798 22.322 ( 10.548 1.122 -20.256) 22.865 23.607 ( 1.258 2.156 0.437) 2.534 24.236 ( 2.689 2.319 0.490) 3.584 24.413 ( 4.787 -4.285 3.596) 7.362 ======================= Grid point 39 (28/204) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -12.572 20.688 -8.794) 25.756 3.056 ( -8.086 11.749 -4.356) 14.913 3.275 ( -6.398 17.325 11.794) 21.913 4.141 ( -10.060 -6.279 -8.059) 14.338 4.376 ( 11.093 20.260 4.057) 23.452 4.508 ( -7.434 3.478 4.919) 9.568 4.654 ( -13.695 15.992 -8.856) 22.841 5.246 ( 5.906 -10.464 10.827) 16.174 5.691 ( -1.564 7.376 -5.387) 9.267 5.889 ( -14.583 6.130 -3.942) 16.303 6.220 ( -1.082 1.165 -0.282) 1.614 6.544 ( 3.837 2.821 -0.108) 4.763 6.671 ( -9.734 -9.051 -5.132) 14.248 7.428 ( -2.358 -0.920 10.628) 10.925 7.496 ( 7.640 -1.849 7.863) 11.118 7.783 ( -6.048 2.209 3.015) 7.110 7.832 ( 4.739 -3.659 -2.279) 6.406 8.253 ( -2.066 -2.738 -2.683) 4.355 8.382 ( -3.582 -10.870 -9.726) 15.019 8.512 ( -9.179 1.429 -2.193) 9.545 8.902 ( -0.434 -3.081 -1.114) 3.305 8.943 ( 6.434 -0.992 -4.405) 7.861 9.319 ( 2.460 -1.283 -5.559) 6.213 9.774 ( 0.877 -1.105 2.153) 2.574 9.826 ( -4.870 2.140 3.156) 6.185 9.874 ( -7.301 -8.264 -3.761) 11.651 10.025 ( 0.810 -0.489 2.572) 2.741 10.248 ( -11.573 -7.205 6.907) 15.282 10.483 ( 1.092 2.624 0.052) 2.842 10.830 ( -1.809 0.363 5.054) 5.380 10.872 ( -0.784 2.790 0.022) 2.898 11.097 ( 0.321 -0.319 -2.720) 2.757 11.305 ( 3.557 -2.415 -0.265) 4.308 11.604 ( -7.149 0.502 -3.997) 8.206 11.775 ( -3.792 -1.506 -1.450) 4.330 11.831 ( 3.177 -2.011 -0.388) 3.780 12.053 ( -7.655 -1.432 -5.058) 9.286 12.119 ( 6.612 5.771 5.056) 10.129 12.177 ( -10.907 -5.447 1.713) 12.311 12.566 ( 4.752 0.621 10.506) 11.547 12.808 ( 2.502 -3.090 8.106) 9.029 12.946 ( 5.124 -1.706 -1.057) 5.503 13.266 ( 1.464 4.473 2.120) 5.162 13.595 ( -1.503 -2.754 -5.095) 5.983 13.878 ( -3.577 -1.125 5.743) 6.859 14.011 ( -0.562 -4.107 0.377) 4.162 14.070 ( 0.980 -0.310 -8.973) 9.032 14.399 ( -6.096 -6.752 -3.965) 9.923 14.749 ( 2.201 1.564 -3.441) 4.374 14.932 ( 4.283 0.711 -4.546) 6.286 15.249 ( 9.375 3.654 -0.499) 10.074 15.432 ( 4.354 1.464 -0.095) 4.594 15.512 ( 0.823 -1.275 7.756) 7.903 15.736 ( 2.554 3.491 2.162) 4.836 16.286 ( -3.081 3.545 1.486) 4.926 16.537 ( 4.145 -6.508 -3.461) 8.456 16.718 ( 4.284 -12.697 -0.068) 13.401 17.224 ( -8.229 -6.349 9.880) 14.340 18.216 ( -9.719 5.066 -17.838) 20.936 18.650 ( -10.160 0.130 2.004) 10.356 20.124 ( 0.837 4.034 3.273) 5.262 21.933 ( -2.794 3.638 3.418) 5.721 22.465 ( 11.062 -4.444 -7.994) 14.354 23.604 ( 1.332 2.931 0.166) 3.224 24.241 ( 1.635 4.037 0.112) 4.356 24.539 ( 3.999 -4.087 3.571) 6.742 ======================= Grid point 40 (29/204) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -11.335 29.940 -4.538) 32.334 2.818 ( -4.408 18.071 3.182) 18.871 3.163 ( -1.463 3.693 10.530) 11.254 3.846 ( -14.142 32.889 -17.859) 40.008 4.143 ( -10.710 -5.220 2.846) 12.250 4.453 ( 7.770 14.358 -5.284) 17.159 4.499 ( 5.055 8.952 9.972) 14.322 5.331 ( -15.592 10.892 -6.105) 19.975 5.440 ( 1.038 1.450 3.378) 3.820 5.734 ( -2.840 0.247 -0.206) 2.858 6.169 ( -0.095 -0.723 0.665) 0.987 6.604 ( -4.534 -6.367 2.702) 8.270 6.700 ( 6.879 -3.068 -4.141) 8.596 7.371 ( -6.526 1.359 6.390) 9.234 7.613 ( -3.280 4.553 -2.138) 6.005 7.671 ( 2.193 -0.660 7.412) 7.758 8.020 ( 12.654 -1.830 -4.333) 13.500 8.191 ( -2.212 0.996 -4.647) 5.242 8.371 ( -8.968 -1.920 1.919) 9.369 8.485 ( 0.016 -19.783 -4.385) 20.263 8.881 ( -2.417 -2.787 -3.639) 5.182 9.176 ( 14.654 -5.355 4.464) 16.228 9.326 ( -0.144 -0.212 -1.997) 2.013 9.696 ( -7.077 1.000 1.377) 7.279 9.792 ( -3.322 -3.893 1.858) 5.445 9.846 ( -7.726 -10.841 -7.767) 15.413 10.107 ( 5.746 -1.912 1.156) 6.166 10.239 ( -2.259 -8.569 4.492) 9.936 10.438 ( -3.582 3.477 -0.573) 5.025 10.809 ( 2.943 6.036 6.010) 9.012 10.882 ( 0.206 -3.549 0.079) 3.556 11.069 ( -2.953 -1.910 -3.977) 5.309 11.404 ( 3.376 -2.296 -0.961) 4.195 11.507 ( -1.065 -3.263 -1.173) 3.627 11.735 ( -0.701 0.063 -4.567) 4.621 11.864 ( -4.999 -0.920 7.511) 9.069 11.957 ( -6.016 -5.361 1.763) 8.249 12.012 ( -8.783 -2.929 -7.884) 12.161 12.209 ( 6.877 6.730 2.147) 9.859 12.636 ( -0.299 -0.143 2.341) 2.365 12.898 ( 3.852 -0.188 6.401) 7.473 13.016 ( 3.979 1.061 1.720) 4.463 13.325 ( 4.946 0.815 7.389) 8.928 13.614 ( 3.491 -1.644 -4.876) 6.218 13.801 ( -7.830 -0.800 2.770) 8.344 14.036 ( -1.211 -2.739 -6.550) 7.202 14.070 ( 2.161 -0.400 -3.969) 4.537 14.327 ( -9.173 -8.598 -0.958) 12.609 14.805 ( 4.837 -1.215 1.266) 5.146 14.960 ( 2.311 0.673 -3.313) 4.095 15.374 ( 8.404 3.911 1.862) 9.455 15.473 ( 5.428 0.093 -5.019) 7.394 15.547 ( -1.282 1.192 7.452) 7.655 15.716 ( -1.037 5.794 1.943) 6.199 16.138 ( -8.332 5.302 -4.847) 11.001 16.542 ( -4.594 -5.655 -1.708) 7.484 17.031 ( 9.815 -18.195 0.780) 20.688 17.293 ( 3.933 -3.607 9.883) 11.232 17.926 ( -11.215 3.309 -15.007) 19.025 18.480 ( -9.568 1.811 1.114) 9.802 20.092 ( 0.246 6.813 2.440) 7.241 21.863 ( -1.457 4.649 0.282) 4.880 22.657 ( 7.053 -7.896 -2.882) 10.973 23.591 ( 0.848 3.411 0.146) 3.518 24.211 ( 0.610 5.470 -0.089) 5.504 24.651 ( 2.954 -4.438 2.755) 6.001 ======================= Grid point 41 (30/204) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 0.000 31.781 -0.000) 31.781 2.558 ( 0.000 32.067 -0.000) 32.067 3.183 ( 0.000 51.119 -0.000) 51.119 3.217 ( -0.000 -5.364 0.000) 5.364 4.152 ( -0.000 -8.188 0.000) 8.188 4.386 ( 0.000 9.780 -0.000) 9.780 4.513 ( 0.000 7.720 -0.000) 7.720 5.086 ( 0.000 8.131 -0.000) 8.131 5.290 ( 0.000 16.404 -0.000) 16.404 5.793 ( -0.000 -6.548 0.000) 6.548 6.200 ( -0.000 -4.118 0.000) 4.118 6.678 ( -0.000 -14.517 0.000) 14.517 6.746 ( 0.000 2.138 -0.000) 2.138 7.273 ( 0.000 3.893 -0.000) 3.893 7.588 ( -0.000 -0.403 0.000) 0.403 7.682 ( 0.000 2.791 -0.000) 2.791 8.078 ( 0.000 8.059 -0.000) 8.059 8.236 ( 0.000 1.546 -0.000) 1.546 8.294 ( -0.000 -12.568 0.000) 12.568 8.698 ( -0.000 -20.780 0.000) 20.780 8.864 ( -0.000 -0.961 0.000) 0.961 9.317 ( 0.000 0.380 -0.000) 0.380 9.450 ( -0.000 -7.576 0.000) 7.576 9.589 ( -0.000 -0.847 0.000) 0.847 9.807 ( -0.000 -8.243 0.000) 8.243 9.829 ( -0.000 -3.157 0.000) 3.157 10.197 ( -0.000 -0.701 0.000) 0.701 10.335 ( -0.000 -10.582 0.000) 10.582 10.336 ( 0.000 4.101 -0.000) 4.101 10.870 ( -0.000 -0.294 0.000) 0.294 10.887 ( -0.000 -1.644 0.000) 1.644 11.063 ( -0.000 -6.270 0.000) 6.270 11.417 ( -0.000 -2.468 0.000) 2.468 11.607 ( -0.000 -0.613 0.000) 0.613 11.693 ( -0.000 -0.297 0.000) 0.297 11.834 ( -0.000 -3.009 0.000) 3.009 11.891 ( -0.000 -0.157 0.000) 0.157 12.004 ( -0.000 -5.379 0.000) 5.379 12.204 ( 0.000 7.161 -0.000) 7.161 12.620 ( 0.000 0.298 -0.000) 0.298 12.957 ( -0.000 -0.593 0.000) 0.593 13.060 ( 0.000 1.575 -0.000) 1.575 13.401 ( -0.000 -1.620 0.000) 1.620 13.630 ( 0.000 3.284 -0.000) 3.284 13.774 ( -0.000 -5.970 0.000) 5.970 13.971 ( 0.000 3.084 -0.000) 3.084 14.093 ( -0.000 -1.398 0.000) 1.398 14.340 ( -0.000 -9.763 0.000) 9.763 14.891 ( -0.000 -4.089 0.000) 4.089 14.967 ( 0.000 0.405 -0.000) 0.405 15.406 ( 0.000 2.831 -0.000) 2.831 15.512 ( 0.000 5.578 -0.000) 5.578 15.585 ( 0.000 7.893 -0.000) 7.893 15.587 ( -0.000 -0.616 0.000) 0.616 15.955 ( 0.000 9.257 -0.000) 9.257 16.555 ( -0.000 -6.627 0.000) 6.627 17.312 ( -0.000 -19.794 0.000) 19.794 17.399 ( -0.000 -1.044 0.000) 1.044 17.760 ( -0.000 -0.564 0.000) 0.564 18.364 ( 0.000 3.658 -0.000) 3.658 20.024 ( 0.000 7.614 -0.000) 7.614 21.801 ( 0.000 5.532 -0.000) 5.532 22.797 ( -0.000 -9.034 0.000) 9.034 23.563 ( 0.000 3.587 -0.000) 3.587 24.156 ( 0.000 6.173 -0.000) 6.173 24.733 ( -0.000 -4.947 0.000) 4.947 ======================= Grid point 48 (31/204) ======================= q-point: ( 0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( -20.211 -0.000 -33.338) 38.986 3.662 ( 12.456 0.000 20.625) 24.095 3.892 ( 1.658 0.000 -12.371) 12.482 4.137 ( -23.879 -0.000 1.446) 23.923 4.205 ( 2.583 0.000 18.498) 18.678 4.887 ( -8.181 -0.000 -9.785) 12.755 4.909 ( 6.440 0.000 -0.474) 6.457 5.002 ( 1.804 0.000 5.853) 6.125 5.613 ( 14.735 0.000 4.094) 15.294 5.860 ( 8.504 0.000 -1.677) 8.667 6.517 ( -15.509 -0.000 -11.826) 19.503 6.558 ( -6.796 -0.000 -1.097) 6.884 6.888 ( -14.074 -0.000 -5.203) 15.005 7.134 ( 8.215 0.000 21.864) 23.357 7.656 ( 4.424 0.000 -6.615) 7.958 7.728 ( -3.674 -0.000 13.166) 13.669 7.920 ( -12.652 -0.000 7.952) 14.943 7.964 ( -4.913 -0.000 -6.132) 7.857 8.575 ( -3.978 -0.000 -2.398) 4.646 8.591 ( -6.367 -0.000 -7.940) 10.178 8.927 ( 0.453 0.000 -12.598) 12.606 8.971 ( -2.636 -0.000 -10.788) 11.105 9.350 ( -5.272 -0.000 -6.682) 8.512 9.642 ( 5.021 0.000 1.670) 5.292 9.793 ( -2.342 -0.000 4.351) 4.941 10.024 ( -3.912 -0.000 -2.723) 4.766 10.195 ( -11.881 -0.000 4.390) 12.666 10.250 ( -13.145 -0.000 13.724) 19.003 10.513 ( 2.740 0.000 2.884) 3.978 10.818 ( -7.655 -0.000 -0.278) 7.660 10.953 ( -0.350 -0.000 4.469) 4.482 11.057 ( 3.610 0.000 -1.937) 4.097 11.226 ( 3.088 0.000 -2.094) 3.731 11.659 ( 6.946 0.000 10.127) 12.280 11.718 ( 4.653 0.000 -9.137) 10.253 11.968 ( -14.091 -0.000 1.454) 14.166 12.018 ( 10.254 0.000 -7.341) 12.611 12.125 ( -2.559 -0.000 1.917) 3.197 12.297 ( -11.245 -0.000 0.375) 11.251 12.467 ( -1.065 -0.000 13.252) 13.295 12.665 ( 1.563 0.000 11.316) 11.423 12.805 ( 6.206 0.000 -5.769) 8.473 13.429 ( 0.209 0.000 -3.715) 3.721 13.522 ( -5.501 -0.000 -7.058) 8.948 13.847 ( 4.307 0.000 4.382) 6.144 13.998 ( -7.116 -0.000 13.975) 15.683 14.067 ( 2.622 0.000 -11.290) 11.590 14.377 ( -4.878 -0.000 -6.838) 8.399 14.789 ( -0.770 -0.000 -8.110) 8.146 14.875 ( 6.535 0.000 -3.658) 7.489 15.233 ( 3.511 0.000 -1.037) 3.661 15.307 ( 10.096 0.000 11.949) 15.643 15.435 ( 4.555 0.000 1.702) 4.863 15.694 ( 4.934 0.000 2.148) 5.381 16.269 ( 7.270 0.000 -9.254) 11.768 16.334 ( 0.991 0.000 10.723) 10.768 16.638 ( -5.417 -0.000 -8.828) 10.357 17.290 ( -19.333 -0.000 14.194) 23.984 18.507 ( -4.893 -0.000 -15.508) 16.262 18.757 ( -4.205 -0.000 1.293) 4.399 20.142 ( 0.388 0.000 3.318) 3.341 21.993 ( -3.050 -0.000 17.268) 17.535 22.337 ( 7.700 0.000 -24.147) 25.345 23.630 ( 1.301 0.000 0.794) 1.524 24.271 ( 3.876 0.000 0.199) 3.881 24.354 ( 5.020 0.000 3.671) 6.220 ======================= Grid point 50 (32/204) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -16.754 -4.620 -26.615) 31.787 3.538 ( -17.515 21.681 -4.515) 28.235 3.775 ( 2.213 20.761 20.507) 29.265 3.923 ( -10.414 -14.417 -8.352) 19.648 4.443 ( 4.671 -6.849 18.318) 20.107 4.675 ( -5.606 7.014 -9.512) 13.080 4.908 ( -0.466 7.689 -3.972) 8.667 5.059 ( -0.177 -5.825 11.409) 12.811 5.788 ( 6.816 3.072 2.587) 7.912 6.109 ( -14.255 12.244 -9.775) 21.182 6.146 ( 14.920 -3.526 -1.174) 15.376 6.427 ( -13.949 -11.774 -12.680) 22.226 6.727 ( -2.554 6.250 5.905) 8.970 7.376 ( 9.371 -2.131 17.282) 19.774 7.593 ( -4.194 10.271 7.702) 13.505 7.763 ( -2.548 -2.042 1.227) 3.488 7.791 ( 0.560 -0.671 -1.727) 1.935 7.970 ( -4.323 -16.853 -2.195) 17.536 8.418 ( -3.510 5.862 -8.683) 11.049 8.521 ( -6.500 -1.840 -4.045) 7.874 8.883 ( -0.910 0.587 -9.638) 9.698 8.925 ( 4.119 -0.590 -7.694) 8.748 9.270 ( -1.803 -2.844 -5.536) 6.480 9.706 ( -0.288 -3.331 -4.026) 5.234 9.774 ( -2.820 -0.011 7.234) 7.765 9.928 ( -8.768 2.804 1.659) 9.354 10.022 ( -6.073 1.723 3.556) 7.246 10.114 ( -11.827 -6.236 8.633) 15.915 10.560 ( 3.946 4.155 0.457) 5.748 10.756 ( -2.706 -4.367 0.060) 5.137 10.950 ( -0.713 2.056 3.532) 4.149 11.109 ( 3.411 0.956 -1.300) 3.773 11.275 ( 3.668 -0.607 -0.826) 3.809 11.656 ( -12.837 4.495 -1.704) 13.708 11.750 ( -1.037 -1.375 -2.592) 3.112 11.787 ( 1.292 -2.369 2.517) 3.690 12.005 ( -12.063 -3.183 0.559) 12.488 12.050 ( -4.461 -3.185 -12.686) 13.819 12.256 ( 5.351 4.601 10.475) 12.630 12.558 ( 2.802 -1.245 11.484) 11.886 12.773 ( 5.330 -0.508 8.053) 9.671 12.918 ( 7.611 -0.899 -0.343) 7.672 13.372 ( 0.475 6.035 -0.299) 6.061 13.497 ( -0.997 -6.314 -3.164) 7.133 13.889 ( -4.546 1.927 7.157) 8.694 13.944 ( -2.287 -3.007 5.466) 6.644 14.061 ( 2.564 -0.211 -11.601) 11.883 14.286 ( -6.176 -3.643 -7.732) 10.545 14.758 ( 0.207 -0.077 -3.847) 3.853 14.946 ( 4.522 0.456 -4.766) 6.586 15.303 ( 7.546 1.537 -1.496) 7.845 15.457 ( 4.263 0.816 -2.030) 4.791 15.495 ( 3.038 -0.454 8.176) 8.734 15.765 ( 2.472 0.171 1.931) 3.141 16.353 ( -3.611 2.690 7.795) 9.002 16.438 ( 12.270 -2.949 -2.809) 12.928 16.552 ( -2.840 -4.346 -4.988) 7.199 17.139 ( -5.702 -2.211 11.257) 12.811 18.293 ( -11.288 2.215 -17.186) 20.680 18.652 ( -9.659 0.077 4.535) 10.671 20.190 ( 4.421 1.980 0.520) 4.872 21.981 ( -3.619 1.194 7.766) 8.650 22.402 ( 8.390 -1.691 -11.784) 14.564 23.647 ( 1.333 1.213 0.315) 1.830 24.314 ( 3.097 3.024 0.252) 4.336 24.457 ( 3.746 -3.451 2.741) 5.784 ======================= Grid point 51 (33/204) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -9.190 -10.991 -13.715) 19.833 3.034 ( -13.439 23.564 -2.549) 27.247 3.618 ( -0.563 24.866 13.623) 28.358 3.894 ( -6.167 -12.120 -4.196) 14.231 4.426 ( -5.346 16.608 -7.842) 19.128 4.587 ( 0.583 2.038 12.819) 12.993 4.771 ( 2.257 13.110 -4.174) 13.943 5.277 ( 6.916 -11.040 9.953) 16.394 5.628 ( -13.617 17.600 -9.805) 24.317 5.812 ( -2.816 4.882 1.079) 5.739 6.171 ( -7.099 -2.078 -5.088) 8.978 6.501 ( 4.376 -4.388 -1.878) 6.475 6.722 ( 8.285 4.375 3.475) 9.993 7.425 ( -3.485 4.393 7.831) 9.632 7.610 ( -6.623 -2.195 4.640) 8.379 7.713 ( 8.329 1.928 4.553) 9.686 7.909 ( 6.145 -5.573 -1.955) 8.523 8.060 ( -5.726 -18.538 -2.488) 19.561 8.297 ( 0.064 5.317 -8.655) 10.158 8.390 ( -6.414 1.750 -2.963) 7.279 8.830 ( -2.124 -1.786 -3.477) 4.448 9.073 ( 12.438 -4.921 -2.615) 13.629 9.286 ( -0.420 -5.060 -2.533) 5.674 9.663 ( -6.216 -3.211 -3.163) 7.678 9.719 ( -12.963 0.946 2.590) 13.253 9.758 ( -2.269 -1.786 3.145) 4.270 10.026 ( 0.525 -5.324 1.828) 5.654 10.097 ( -1.346 -5.376 3.780) 6.708 10.545 ( 1.337 6.929 -1.468) 7.208 10.799 ( 0.925 -4.949 0.316) 5.045 10.927 ( 0.050 3.737 4.880) 6.147 11.095 ( -1.722 4.927 -2.853) 5.948 11.366 ( 5.354 -1.517 -0.277) 5.571 11.448 ( -5.691 -2.356 -0.611) 6.189 11.726 ( -2.729 -1.420 -4.343) 5.322 11.826 ( -8.165 -2.652 6.751) 10.921 11.856 ( -4.296 -3.813 1.516) 5.941 11.949 ( -4.304 -2.716 -10.410) 11.588 12.341 ( 6.393 5.876 4.583) 9.818 12.627 ( -0.270 -0.909 4.549) 4.647 12.888 ( 4.266 -0.502 5.663) 7.108 13.028 ( 4.790 0.296 1.998) 5.198 13.376 ( 4.246 3.825 4.069) 7.015 13.549 ( 2.876 -4.388 -2.485) 5.805 13.786 ( -8.329 -0.636 2.853) 8.827 13.982 ( 1.328 -2.173 -0.990) 2.733 14.066 ( 1.833 -0.416 -5.286) 5.610 14.170 ( -9.950 -6.307 -5.316) 12.925 14.775 ( 1.883 -1.349 -0.319) 2.339 14.975 ( 2.103 0.650 -3.179) 3.866 15.434 ( 9.943 1.746 -0.664) 10.117 15.479 ( 3.586 0.721 -5.594) 6.684 15.564 ( 0.541 0.599 7.467) 7.511 15.773 ( -2.636 0.373 1.648) 3.131 16.237 ( -7.123 4.354 1.725) 8.525 16.469 ( -3.065 -2.117 -2.584) 4.534 16.744 ( 10.247 -10.140 0.404) 14.421 17.239 ( 7.461 -1.842 11.526) 13.853 17.992 ( -13.191 2.815 -15.383) 20.459 18.510 ( -8.290 1.120 3.052) 8.905 20.218 ( 2.818 5.168 0.128) 5.888 21.935 ( -1.926 2.508 1.962) 3.722 22.521 ( 5.352 -5.348 -3.978) 8.548 23.650 ( 0.927 2.238 0.147) 2.427 24.313 ( 1.508 4.764 0.073) 4.997 24.557 ( 2.215 -4.792 1.723) 5.553 ======================= Grid point 52 (34/204) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 0.000 20.369 -0.000) 20.369 2.729 ( -0.000 -5.834 0.000) 5.834 3.403 ( 0.000 24.482 -0.000) 24.482 3.954 ( -0.000 -11.815 0.000) 11.815 4.075 ( 0.000 36.280 -0.000) 36.280 4.586 ( 0.000 6.963 -0.000) 6.963 4.688 ( 0.000 9.579 -0.000) 9.579 5.288 ( 0.000 13.618 -0.000) 13.618 5.473 ( -0.000 -3.836 0.000) 3.836 5.722 ( 0.000 4.571 -0.000) 4.571 6.134 ( -0.000 -3.440 0.000) 3.440 6.521 ( -0.000 -1.289 0.000) 1.289 6.801 ( 0.000 3.168 -0.000) 3.168 7.366 ( 0.000 5.161 -0.000) 5.161 7.550 ( -0.000 -2.535 0.000) 2.535 7.768 ( 0.000 6.528 -0.000) 6.528 8.061 ( -0.000 -10.482 0.000) 10.482 8.193 ( -0.000 -19.163 0.000) 19.163 8.233 ( 0.000 6.976 -0.000) 6.976 8.314 ( -0.000 -4.073 0.000) 4.073 8.827 ( -0.000 -2.502 0.000) 2.502 9.296 ( -0.000 -5.082 0.000) 5.082 9.317 ( -0.000 -5.284 0.000) 5.284 9.554 ( -0.000 -1.663 0.000) 1.663 9.651 ( -0.000 -5.127 0.000) 5.127 9.770 ( -0.000 -2.786 0.000) 2.786 10.112 ( -0.000 -7.075 0.000) 7.075 10.161 ( -0.000 -6.909 0.000) 6.909 10.466 ( 0.000 8.376 -0.000) 8.376 10.846 ( -0.000 -2.991 0.000) 2.991 10.957 ( 0.000 8.212 -0.000) 8.212 10.970 ( -0.000 -2.634 0.000) 2.634 11.377 ( -0.000 -1.682 0.000) 1.682 11.570 ( -0.000 -2.886 0.000) 2.886 11.644 ( -0.000 -5.487 0.000) 5.487 11.771 ( -0.000 -1.542 0.000) 1.542 11.876 ( -0.000 -1.155 0.000) 1.155 11.917 ( -0.000 -3.665 0.000) 3.665 12.348 ( 0.000 6.778 -0.000) 6.778 12.626 ( 0.000 0.187 -0.000) 0.187 12.944 ( -0.000 -0.751 0.000) 0.751 13.072 ( 0.000 0.304 -0.000) 0.304 13.406 ( 0.000 1.841 -0.000) 1.841 13.660 ( -0.000 -5.212 0.000) 5.212 13.677 ( 0.000 1.022 -0.000) 1.022 14.000 ( 0.000 0.082 -0.000) 0.082 14.074 ( -0.000 -0.375 0.000) 0.375 14.140 ( -0.000 -9.791 0.000) 9.791 14.818 ( -0.000 -3.009 0.000) 3.009 14.979 ( 0.000 0.644 -0.000) 0.644 15.461 ( 0.000 2.573 -0.000) 2.573 15.568 ( 0.000 1.637 -0.000) 1.637 15.576 ( -0.000 -0.484 0.000) 0.484 15.701 ( 0.000 2.533 -0.000) 2.533 16.116 ( 0.000 6.758 -0.000) 6.758 16.459 ( -0.000 -3.006 0.000) 3.006 16.957 ( -0.000 -14.558 0.000) 14.558 17.380 ( -0.000 -0.780 0.000) 0.780 17.787 ( 0.000 2.265 -0.000) 2.265 18.424 ( 0.000 2.388 -0.000) 2.388 20.177 ( 0.000 7.310 -0.000) 7.310 21.893 ( 0.000 3.629 -0.000) 3.629 22.625 ( -0.000 -7.848 0.000) 7.848 23.632 ( 0.000 3.047 -0.000) 3.047 24.273 ( 0.000 5.559 -0.000) 5.559 24.630 ( -0.000 -5.301 0.000) 5.301 ======================= Grid point 61 (35/204) ======================= q-point: ( 0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -9.993 -0.000 -16.314) 19.131 3.347 ( -15.796 -0.000 -0.715) 15.813 3.692 ( -5.121 -0.000 -5.586) 7.578 3.901 ( -5.097 -0.000 9.450) 10.737 4.577 ( 5.214 0.000 14.737) 15.632 4.598 ( -2.041 -0.000 -8.441) 8.684 4.907 ( -2.502 -0.000 -3.346) 4.178 5.139 ( 7.560 0.000 13.045) 15.077 5.861 ( 0.186 0.000 0.922) 0.940 5.980 ( -8.598 -0.000 -5.285) 10.092 6.015 ( -15.989 -0.000 -10.634) 19.202 6.446 ( 16.241 0.000 -1.383) 16.300 6.788 ( 4.002 0.000 3.172) 5.106 7.537 ( 3.205 0.000 6.771) 7.491 7.549 ( -10.442 -0.000 8.119) 13.227 7.702 ( -4.541 -0.000 1.034) 4.657 7.842 ( 5.775 0.000 -1.017) 5.864 7.860 ( 4.836 0.000 0.321) 4.846 8.374 ( -2.389 -0.000 -3.809) 4.496 8.407 ( -4.862 -0.000 -8.179) 9.514 8.819 ( -1.457 -0.000 -7.936) 8.069 9.004 ( 8.177 0.000 -4.521) 9.344 9.211 ( 0.054 0.000 -0.889) 0.891 9.652 ( -1.407 -0.000 -4.771) 4.974 9.728 ( -16.440 -0.000 2.488) 16.628 9.745 ( -4.723 -0.000 8.290) 9.541 9.956 ( -3.396 -0.000 1.975) 3.928 10.042 ( 1.330 0.000 2.474) 2.809 10.674 ( 5.396 0.000 -0.660) 5.436 10.695 ( -0.992 -0.000 -0.397) 1.068 10.957 ( -0.844 -0.000 2.461) 2.601 11.174 ( 3.252 0.000 -0.936) 3.384 11.349 ( 6.641 0.000 0.358) 6.651 11.426 ( -13.611 -0.000 0.849) 13.637 11.687 ( -7.867 -0.000 -3.389) 8.566 11.805 ( -6.337 -0.000 0.415) 6.350 11.817 ( 0.438 0.000 5.479) 5.496 11.921 ( -3.480 -0.000 -10.986) 11.524 12.407 ( 5.027 0.000 5.035) 7.115 12.612 ( 0.680 0.000 5.794) 5.834 12.883 ( 4.265 0.000 5.014) 6.583 13.031 ( 5.328 0.000 2.452) 5.865 13.454 ( 0.628 0.000 0.507) 0.807 13.466 ( 6.421 0.000 -0.003) 6.421 13.779 ( -9.361 -0.000 4.380) 10.335 13.958 ( 0.381 0.000 3.275) 3.297 14.062 ( 2.353 0.000 -7.264) 7.636 14.104 ( -8.566 -0.000 -8.510) 12.075 14.761 ( 1.218 0.000 -0.716) 1.412 14.982 ( 1.924 0.000 -2.999) 3.563 15.447 ( 10.335 0.000 -2.323) 10.593 15.491 ( 2.829 0.000 -5.443) 6.134 15.570 ( 1.026 0.000 7.470) 7.540 15.769 ( -3.420 -0.000 1.779) 3.855 16.289 ( -7.763 -0.000 5.179) 9.332 16.444 ( -2.461 -0.000 -3.661) 4.411 16.644 ( 11.411 0.000 -0.606) 11.427 17.221 ( 8.710 0.000 12.039) 14.859 18.022 ( -13.885 -0.000 -15.498) 20.808 18.522 ( -7.931 -0.000 3.653) 8.732 20.272 ( 3.667 0.000 -0.504) 3.701 21.960 ( -2.221 -0.000 3.047) 3.771 22.465 ( 4.742 0.000 -4.850) 6.784 23.673 ( 0.890 0.000 0.180) 0.908 24.376 ( 2.017 0.000 0.116) 2.020 24.492 ( 1.942 0.000 1.447) 2.422 ======================= Grid point 63 (36/204) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( -0.000 -7.052 0.000) 7.052 3.118 ( 0.000 17.173 -0.000) 17.173 3.700 ( -0.000 -11.445 0.000) 11.445 3.809 ( 0.000 12.110 -0.000) 12.110 4.520 ( 0.000 9.460 -0.000) 9.460 4.651 ( 0.000 0.890 -0.000) 0.890 4.849 ( 0.000 5.000 -0.000) 5.000 5.306 ( -0.000 -7.128 0.000) 7.128 5.657 ( 0.000 21.593 -0.000) 21.593 5.840 ( 0.000 3.784 -0.000) 3.784 6.010 ( -0.000 -10.802 0.000) 10.802 6.557 ( 0.000 2.410 -0.000) 2.410 6.852 ( 0.000 1.478 -0.000) 1.478 7.449 ( 0.000 2.525 -0.000) 2.525 7.534 ( 0.000 2.186 -0.000) 2.186 7.766 ( -0.000 -17.016 0.000) 17.016 7.898 ( -0.000 -1.202 0.000) 1.202 7.924 ( 0.000 2.918 -0.000) 2.918 8.321 ( 0.000 0.583 -0.000) 0.583 8.334 ( 0.000 2.833 -0.000) 2.833 8.790 ( -0.000 -0.648 0.000) 0.648 9.119 ( -0.000 -8.493 0.000) 8.493 9.249 ( -0.000 -1.659 0.000) 1.659 9.558 ( 0.000 0.102 -0.000) 0.102 9.618 ( 0.000 1.442 -0.000) 1.442 9.727 ( -0.000 -1.264 0.000) 1.264 9.965 ( -0.000 -5.844 0.000) 5.844 10.074 ( -0.000 -1.952 0.000) 1.952 10.632 ( 0.000 7.582 -0.000) 7.582 10.765 ( -0.000 -4.980 0.000) 4.980 10.954 ( 0.000 0.226 -0.000) 0.226 11.143 ( 0.000 8.948 -0.000) 8.948 11.334 ( -0.000 -3.331 0.000) 3.331 11.513 ( -0.000 -2.108 0.000) 2.108 11.520 ( -0.000 -4.895 0.000) 4.895 11.770 ( 0.000 0.563 -0.000) 0.563 11.855 ( -0.000 -0.757 0.000) 0.757 11.858 ( -0.000 -2.029 0.000) 2.029 12.447 ( 0.000 2.715 -0.000) 2.715 12.627 ( 0.000 0.026 -0.000) 0.026 12.932 ( -0.000 -0.344 0.000) 0.344 13.080 ( 0.000 0.385 -0.000) 0.385 13.449 ( 0.000 1.779 -0.000) 1.779 13.583 ( -0.000 -2.266 0.000) 2.266 13.675 ( -0.000 -0.597 0.000) 0.597 13.989 ( -0.000 -4.498 0.000) 4.498 13.999 ( 0.000 0.065 -0.000) 0.065 14.069 ( -0.000 -0.240 0.000) 0.240 14.778 ( -0.000 -1.053 0.000) 1.053 14.989 ( 0.000 0.297 -0.000) 0.297 15.499 ( 0.000 1.065 -0.000) 1.065 15.569 ( -0.000 -0.210 0.000) 0.210 15.589 ( 0.000 0.526 -0.000) 0.526 15.708 ( -0.000 -0.643 0.000) 0.643 16.215 ( 0.000 2.926 -0.000) 2.926 16.422 ( -0.000 -1.131 0.000) 1.131 16.766 ( -0.000 -4.695 0.000) 4.695 17.370 ( -0.000 -0.278 0.000) 0.278 17.825 ( 0.000 1.191 -0.000) 1.191 18.456 ( 0.000 0.804 -0.000) 0.804 20.286 ( 0.000 3.142 -0.000) 3.142 21.942 ( 0.000 1.257 -0.000) 1.257 22.510 ( -0.000 -3.230 0.000) 3.230 23.675 ( 0.000 1.168 -0.000) 1.168 24.371 ( 0.000 3.922 -0.000) 3.922 24.533 ( -0.000 -3.938 0.000) 3.938 ======================= Grid point 125 (37/204) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -3.132 -0.000 32.858) 33.007 0.775 ( 4.100 0.000 40.795) 41.000 1.286 ( 7.636 0.000 64.847) 65.295 2.428 ( -1.627 -0.000 -1.919) 2.516 3.986 ( 0.144 0.000 -30.619) 30.619 4.263 ( 12.950 0.000 -20.926) 24.609 4.300 ( 2.636 0.000 -0.364) 2.661 5.012 ( -5.042 -0.000 -13.626) 14.529 5.127 ( -4.116 -0.000 19.094) 19.533 5.983 ( 7.355 0.000 9.951) 12.374 6.449 ( -0.118 -0.000 -10.751) 10.752 6.788 ( 3.940 0.000 10.010) 10.757 6.892 ( -17.136 -0.000 -14.174) 22.238 7.417 ( 11.890 0.000 6.100) 13.363 7.547 ( -4.529 -0.000 4.160) 6.150 7.850 ( 7.950 0.000 4.309) 9.042 7.927 ( -11.077 -0.000 2.003) 11.257 8.124 ( 31.621 0.000 9.305) 32.962 8.903 ( 5.406 0.000 1.212) 5.540 9.018 ( 16.398 0.000 -5.787) 17.389 9.180 ( 6.459 0.000 -1.658) 6.668 9.551 ( 1.709 0.000 -3.993) 4.344 9.564 ( -7.490 -0.000 11.339) 13.590 9.688 ( 15.309 0.000 -1.151) 15.352 9.834 ( 10.762 0.000 -4.455) 11.648 9.852 ( -3.147 -0.000 -11.036) 11.476 10.120 ( -4.685 -0.000 6.165) 7.743 10.468 ( -3.922 -0.000 -1.206) 4.103 10.818 ( 2.143 0.000 -6.196) 6.556 10.834 ( 5.728 0.000 -6.122) 8.384 10.928 ( -6.024 -0.000 -5.086) 7.884 11.340 ( 9.749 0.000 -5.211) 11.054 11.528 ( -0.134 -0.000 -7.135) 7.136 11.624 ( -1.128 -0.000 5.705) 5.816 11.650 ( -8.229 -0.000 5.561) 9.932 11.790 ( -6.342 -0.000 -3.715) 7.350 11.973 ( -2.923 -0.000 6.930) 7.521 12.003 ( 10.105 0.000 -1.289) 10.187 12.365 ( -41.086 -0.000 0.044) 41.086 12.431 ( 13.782 0.000 -1.656) 13.881 12.797 ( 0.953 0.000 10.998) 11.039 13.137 ( 12.481 0.000 1.318) 12.550 13.172 ( 1.221 0.000 2.253) 2.563 13.348 ( -12.203 -0.000 -8.369) 14.797 13.732 ( 0.666 0.000 2.518) 2.604 13.758 ( 7.994 0.000 4.026) 8.951 14.132 ( -2.476 -0.000 2.078) 3.233 14.214 ( 2.331 0.000 3.007) 3.805 14.882 ( -6.713 -0.000 -2.803) 7.275 14.951 ( 3.991 0.000 -0.530) 4.026 14.973 ( 1.963 0.000 -4.076) 4.524 15.136 ( 4.693 0.000 -1.485) 4.922 15.360 ( 1.597 0.000 3.652) 3.986 15.615 ( -1.673 -0.000 -0.368) 1.713 16.448 ( -1.918 -0.000 3.459) 3.955 17.037 ( -0.447 -0.000 -6.497) 6.512 17.636 ( 16.651 0.000 2.595) 16.852 18.022 ( -1.091 -0.000 -5.479) 5.587 18.258 ( -9.285 -0.000 4.026) 10.120 18.258 ( 107.131 0.000 2.234) 107.154 21.557 ( 2.639 0.000 4.185) 4.948 22.191 ( -4.817 -0.000 -6.922) 8.433 23.175 ( 10.226 0.000 4.857) 11.321 23.448 ( -90.577 -0.000 -0.536) 90.579 23.677 ( -0.231 -0.000 1.127) 1.150 23.860 ( 0.495 0.000 -1.695) 1.766 ======================= Grid point 126 (38/204) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 27.478 14.893 30.775) 43.863 1.210 ( 29.654 -10.191 26.236) 40.884 2.019 ( 28.855 -28.294 43.400) 59.302 2.537 ( 10.835 -11.077 -2.543) 15.702 3.780 ( -2.423 8.201 -34.046) 35.104 4.323 ( 3.022 -0.002 -0.260) 3.033 4.453 ( 16.856 -1.775 -14.972) 22.615 4.868 ( -5.412 -3.516 -15.872) 17.134 5.247 ( 8.414 -0.335 16.203) 18.260 6.098 ( 3.233 5.569 10.087) 11.968 6.449 ( 4.869 2.398 -7.252) 9.058 6.567 ( -14.773 -3.573 -12.165) 19.468 6.931 ( 6.898 -2.411 10.147) 12.504 7.469 ( -0.069 6.210 2.795) 6.811 7.610 ( 4.976 -4.038 0.999) 6.486 7.759 ( -10.390 -1.384 4.286) 11.325 7.965 ( 5.119 2.716 -1.826) 6.075 8.412 ( 11.330 6.122 11.247) 17.098 8.972 ( 3.970 7.936 3.954) 9.715 9.098 ( 4.156 4.713 -4.151) 7.531 9.259 ( 2.965 4.705 -3.537) 6.591 9.322 ( -10.439 10.432 -11.277) 18.573 9.499 ( -4.143 4.808 9.477) 11.406 9.734 ( -0.152 -2.228 1.049) 2.467 9.840 ( -3.685 -8.030 -7.140) 11.359 9.880 ( -2.880 -1.238 -5.009) 5.909 10.152 ( 4.835 0.066 0.117) 4.837 10.400 ( -3.342 -1.198 -4.483) 5.719 10.686 ( -6.337 7.596 -1.781) 10.051 10.882 ( 3.554 1.456 -5.059) 6.352 11.033 ( 2.305 -11.440 -9.486) 15.038 11.395 ( -12.529 5.920 -0.191) 13.858 11.432 ( 7.260 5.354 -6.415) 11.069 11.572 ( -1.570 2.324 -5.716) 6.367 11.591 ( -0.541 4.462 3.674) 5.805 11.734 ( 4.124 -1.312 3.709) 5.700 11.918 ( -8.562 -4.604 5.220) 11.034 12.012 ( -0.501 -3.045 4.203) 5.214 12.196 ( 5.581 -4.811 -1.616) 7.544 12.673 ( 11.044 1.464 7.595) 13.483 12.843 ( 4.396 0.299 7.758) 8.922 12.994 ( -7.932 -1.282 -6.659) 10.435 13.282 ( 8.335 -2.075 4.216) 9.568 13.480 ( 3.229 -6.465 -0.568) 7.249 13.684 ( -6.531 1.149 3.005) 7.281 13.977 ( 5.384 -4.436 -9.785) 12.017 14.092 ( -4.724 -2.471 1.309) 5.490 14.338 ( 8.316 -1.612 3.362) 9.114 14.756 ( -3.833 4.273 -5.065) 7.655 14.904 ( -6.189 -3.295 -3.625) 7.893 15.020 ( 1.972 -2.472 0.608) 3.220 15.267 ( 7.351 -0.813 -4.940) 8.894 15.393 ( 0.995 0.311 6.022) 6.112 15.561 ( -4.173 -0.471 -1.618) 4.500 16.432 ( -0.857 1.110 3.641) 3.901 16.911 ( -6.891 1.744 -7.461) 10.305 17.776 ( 5.356 1.436 5.588) 7.873 17.879 ( -6.863 8.683 -8.454) 13.928 18.149 ( -4.484 -0.554 -0.686) 4.570 19.587 ( 58.972 10.250 -37.290) 70.521 21.121 ( -25.906 97.734 52.587) 113.967 21.634 ( 4.044 -0.637 5.493) 6.851 22.794 ( -34.252 -37.491 -4.863) 51.014 23.412 ( 5.374 -9.830 4.721) 12.157 23.795 ( -3.284 -21.884 -4.153) 22.516 23.895 ( 1.983 -4.390 -1.299) 4.989 ======================= Grid point 127 (39/204) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 26.772 12.841 19.349) 35.440 1.899 ( 28.466 -12.423 22.661) 38.447 2.775 ( 20.057 -17.112 7.156) 27.319 3.071 ( 25.678 -27.833 10.420) 39.276 3.526 ( 2.217 10.142 -31.610) 33.271 4.442 ( 10.217 -1.622 6.562) 12.251 4.669 ( 12.801 -2.418 -12.502) 18.056 4.807 ( -0.361 -7.730 -15.355) 17.195 5.487 ( 10.373 -1.907 11.303) 15.459 6.053 ( 0.794 9.168 6.580) 11.313 6.445 ( 0.250 4.787 -3.027) 5.669 6.464 ( -1.796 -8.065 -3.350) 8.916 7.128 ( 8.729 0.999 11.173) 14.214 7.445 ( 4.231 3.789 -2.593) 6.244 7.636 ( -7.881 -5.270 1.296) 9.569 7.708 ( 2.819 3.374 0.516) 4.427 7.968 ( 3.313 4.333 -3.890) 6.700 8.548 ( 9.986 10.333 11.071) 18.140 8.869 ( -2.452 11.086 -5.788) 12.744 8.948 ( -12.070 4.788 -5.303) 14.026 9.095 ( -0.408 4.392 3.676) 5.742 9.304 ( 0.482 -1.816 -7.180) 7.422 9.375 ( -6.127 11.345 4.237) 13.572 9.700 ( -7.085 -3.495 -2.329) 8.236 9.813 ( -1.824 0.788 4.845) 5.237 9.913 ( 4.962 -4.234 -4.618) 7.992 10.250 ( 3.995 -5.745 -2.185) 7.330 10.372 ( -1.092 -2.871 -4.035) 5.071 10.530 ( -1.150 8.978 0.710) 9.079 10.893 ( 2.976 2.418 -4.418) 5.850 11.035 ( -6.760 -1.560 0.413) 6.950 11.173 ( -2.966 6.559 -2.467) 7.609 11.421 ( 0.468 3.797 1.570) 4.135 11.540 ( -1.274 2.761 -1.567) 3.421 11.606 ( 4.475 -4.516 -10.366) 12.160 11.835 ( -0.945 -2.365 -0.983) 2.730 11.887 ( -0.109 -4.150 5.229) 6.677 12.115 ( 9.290 0.948 -2.678) 9.714 12.262 ( -1.421 0.271 2.970) 3.304 12.767 ( 1.017 -1.702 4.368) 4.797 12.832 ( -2.587 5.024 -6.369) 8.514 13.071 ( 11.585 -0.650 3.183) 12.032 13.388 ( -1.010 6.847 6.138) 9.251 13.591 ( 0.366 -10.131 0.233) 10.141 13.639 ( 6.755 -0.163 8.145) 10.583 14.002 ( -2.167 -5.155 -5.205) 7.639 14.055 ( -5.981 -8.175 -0.851) 10.165 14.454 ( 2.283 -1.447 4.636) 5.366 14.644 ( -2.073 4.158 -4.143) 6.225 14.832 ( -5.670 -5.085 -4.845) 9.026 15.067 ( -0.208 -3.013 1.025) 3.190 15.286 ( -4.243 -0.611 1.435) 4.521 15.423 ( 2.354 2.534 -3.145) 4.674 15.521 ( -1.540 -2.117 2.018) 3.305 16.420 ( -1.575 1.288 3.586) 4.123 16.757 ( -6.235 1.678 -6.342) 9.051 17.586 ( -10.457 11.406 -11.406) 19.224 17.817 ( 2.846 7.827 -0.162) 8.330 18.158 ( 2.303 -5.935 0.514) 6.387 19.825 ( -15.929 -2.734 21.068) 26.553 20.433 ( 26.382 69.853 3.288) 74.742 21.732 ( 4.992 0.352 4.048) 6.437 22.574 ( -24.433 -16.833 -5.603) 30.195 23.533 ( 2.314 -0.116 3.955) 4.583 23.935 ( 1.231 -12.010 -3.749) 12.642 24.004 ( 0.846 -13.864 -2.159) 14.057 ======================= Grid point 128 (40/204) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 22.183 10.997 9.968) 26.691 2.533 ( 24.604 -11.270 17.254) 32.095 3.118 ( 2.040 -0.049 -6.759) 7.060 3.407 ( 21.770 -5.829 -16.656) 28.024 3.803 ( 13.793 -26.683 1.900) 30.097 4.707 ( 9.935 -9.087 3.952) 14.032 4.759 ( 1.599 -1.351 -8.279) 8.539 4.907 ( 12.758 -1.219 -4.069) 13.447 5.652 ( 3.804 -6.022 1.117) 7.210 6.150 ( 12.639 3.831 10.041) 16.590 6.381 ( 1.193 5.698 1.521) 6.018 6.551 ( 3.745 -6.458 -0.085) 7.466 7.208 ( 0.507 8.050 9.194) 12.230 7.376 ( -7.552 9.062 -7.621) 14.044 7.599 ( -3.046 -3.840 2.919) 5.705 7.728 ( 9.043 0.984 -6.464) 11.159 8.048 ( 10.408 0.209 -0.872) 10.446 8.617 ( 8.025 9.912 4.202) 13.428 8.737 ( -4.860 8.998 2.588) 10.549 8.762 ( -4.221 -3.786 -5.134) 7.649 8.996 ( -6.590 5.029 -7.736) 11.338 9.165 ( -4.879 10.565 3.511) 12.155 9.277 ( -2.110 -0.816 -4.290) 4.850 9.609 ( -5.405 -1.977 -0.731) 5.801 9.824 ( 0.298 1.505 7.351) 7.510 9.991 ( 4.347 0.270 -4.667) 6.384 10.272 ( -2.327 6.892 -2.943) 7.847 10.420 ( 5.168 -5.299 4.427) 8.625 10.527 ( 2.388 -2.670 0.681) 3.646 10.872 ( -1.313 2.568 -5.240) 5.982 10.964 ( 4.103 6.554 3.417) 8.454 11.125 ( -0.200 -0.075 -1.883) 1.895 11.413 ( 2.337 4.503 -0.496) 5.097 11.475 ( -5.942 -2.652 -1.623) 6.706 11.617 ( -4.075 1.686 -1.875) 4.792 11.807 ( 1.541 -4.952 -9.260) 10.614 12.001 ( 1.629 -5.654 7.125) 9.241 12.187 ( -5.700 -0.053 2.463) 6.210 12.220 ( 5.992 2.683 -7.035) 9.622 12.696 ( 0.002 6.122 -7.358) 9.572 12.845 ( 0.778 0.971 4.656) 4.820 13.160 ( -0.472 1.075 -2.977) 3.200 13.309 ( 0.999 6.463 9.053) 11.168 13.660 ( -2.513 -7.031 -1.913) 7.708 13.904 ( 14.718 0.177 11.025) 18.390 13.999 ( -3.240 -4.573 -2.133) 5.997 14.072 ( 0.860 -8.689 0.391) 8.740 14.483 ( -4.037 -2.435 5.848) 7.512 14.607 ( 2.418 0.421 -0.550) 2.515 14.785 ( -3.888 -4.472 -3.175) 6.724 15.077 ( -2.630 -3.185 -0.090) 4.132 15.209 ( -4.691 1.448 4.754) 6.834 15.395 ( -2.274 -0.894 -6.350) 6.804 15.533 ( -0.159 0.064 2.132) 2.139 16.368 ( -3.918 3.136 2.168) 5.467 16.624 ( -6.407 0.983 -4.972) 8.169 17.276 ( -7.362 9.725 -11.183) 16.548 17.749 ( 3.281 10.634 -6.886) 13.086 18.309 ( 5.713 -8.527 1.686) 10.402 19.545 ( -29.293 3.738 44.292) 53.233 20.365 ( 29.551 37.057 -22.669) 52.539 21.807 ( 4.400 2.672 1.581) 5.385 22.309 ( -22.283 -10.313 -3.384) 24.786 23.557 ( 0.498 1.697 3.405) 3.837 24.047 ( 3.165 -5.696 -1.141) 6.615 24.144 ( 0.884 -12.860 -3.007) 13.237 ======================= Grid point 129 (41/204) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 16.942 8.869 5.944) 20.026 2.921 ( 9.287 3.258 -5.978) 11.515 3.169 ( 9.760 -10.333 8.197) 16.408 3.783 ( 16.207 -7.064 -8.915) 19.800 4.160 ( 4.251 -13.824 0.791) 14.484 4.756 ( -1.307 -5.008 -0.834) 5.243 4.919 ( 5.876 -10.702 -4.137) 12.891 5.127 ( 11.564 0.706 3.331) 12.055 5.778 ( 4.094 -8.281 -6.206) 11.129 6.266 ( 2.160 4.337 10.342) 11.420 6.511 ( 11.749 -4.114 3.001) 12.805 6.686 ( 6.724 0.459 3.193) 7.457 6.900 ( -19.757 10.653 -8.913) 24.151 7.260 ( 6.237 11.566 -1.600) 13.237 7.642 ( 0.379 -3.083 9.826) 10.305 7.879 ( 10.075 -4.257 -6.412) 12.678 8.163 ( 1.965 4.063 -3.670) 5.817 8.588 ( -4.710 -0.876 2.691) 5.495 8.681 ( 6.161 4.561 -4.099) 8.693 8.730 ( -4.552 5.967 -0.064) 7.505 8.833 ( 3.085 1.285 -7.761) 8.449 9.047 ( -2.602 3.001 -1.645) 4.300 9.231 ( -1.883 2.888 2.733) 4.400 9.586 ( -1.100 -3.754 0.556) 3.951 9.828 ( -1.605 0.652 2.438) 2.991 10.040 ( 5.590 1.952 0.642) 5.956 10.132 ( -2.933 10.773 3.314) 11.647 10.573 ( 6.046 -1.560 3.877) 7.350 10.595 ( -0.150 -6.469 -0.661) 6.505 10.800 ( -1.745 3.960 -2.530) 5.013 11.035 ( 8.274 4.170 0.577) 9.284 11.106 ( -1.665 2.532 0.420) 3.059 11.286 ( -7.927 1.852 -5.764) 9.975 11.463 ( -0.357 -1.668 1.572) 2.320 11.548 ( -0.070 0.157 0.114) 0.206 11.870 ( 1.203 -3.742 -5.030) 6.384 12.022 ( -9.525 -5.071 5.135) 11.950 12.114 ( -3.567 -3.804 0.489) 5.238 12.295 ( 11.540 2.624 -9.560) 15.214 12.626 ( 2.177 8.779 -3.312) 9.633 12.821 ( -3.153 0.931 5.045) 6.022 13.123 ( 0.945 3.481 -0.650) 3.665 13.324 ( -1.623 -0.611 5.026) 5.316 13.639 ( -2.997 -3.377 -3.647) 5.804 13.947 ( -5.840 -4.011 -3.673) 7.980 14.092 ( 4.946 -4.750 0.879) 6.914 14.288 ( 14.766 6.070 7.056) 17.454 14.435 ( -7.848 -5.899 4.840) 10.946 14.693 ( 3.778 -1.069 9.036) 9.852 14.768 ( -1.192 -2.689 -1.541) 3.321 15.045 ( -3.462 -2.325 -2.066) 4.654 15.168 ( -2.483 0.991 3.546) 4.441 15.323 ( -4.648 -1.542 -2.035) 5.303 15.537 ( 0.608 -0.686 -1.151) 1.472 16.259 ( -4.465 4.311 -1.151) 6.312 16.487 ( -6.080 1.337 -2.979) 6.902 17.098 ( -3.310 3.305 -4.977) 6.830 17.683 ( 7.569 10.543 -14.612) 19.544 18.493 ( 5.716 -7.439 1.577) 9.513 19.230 ( -27.005 2.307 36.996) 45.861 20.401 ( 21.125 21.161 -18.137) 34.971 21.822 ( 1.718 5.495 -0.274) 5.764 22.067 ( -17.557 -9.847 -2.275) 20.258 23.558 ( -0.152 0.993 3.101) 3.260 24.135 ( 2.577 -2.984 0.008) 3.943 24.254 ( 1.652 -7.686 -2.632) 8.291 ======================= Grid point 130 (42/204) ======================= q-point: ( 0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 10.575 7.519 6.493) 14.509 2.972 ( 5.807 0.477 -3.023) 6.565 3.428 ( 1.631 -5.139 6.151) 8.179 3.947 ( 0.724 -8.912 -9.293) 12.896 4.276 ( 3.906 -1.061 4.920) 6.370 4.739 ( -0.409 3.659 -2.903) 4.689 5.125 ( 2.200 -11.725 -0.735) 11.952 5.260 ( 4.299 1.611 1.466) 4.820 5.898 ( 2.927 -8.070 -6.854) 10.985 6.233 ( -9.758 -3.629 -0.395) 10.418 6.541 ( -0.986 8.000 -3.600) 8.828 6.714 ( 3.711 -1.147 2.884) 4.838 6.745 ( 1.903 5.260 5.827) 8.077 7.230 ( 4.035 9.555 -9.368) 13.976 7.718 ( 0.874 1.026 12.168) 12.242 8.008 ( -7.430 -4.123 -9.740) 12.926 8.087 ( 8.904 -1.811 0.133) 9.087 8.505 ( -6.838 7.487 -4.127) 10.947 8.625 ( -0.722 -6.794 -1.952) 7.105 8.766 ( 8.756 5.328 1.821) 10.410 8.879 ( 2.701 0.052 -2.951) 4.001 9.025 ( -0.360 -3.349 -4.568) 5.675 9.191 ( -2.578 -0.170 4.723) 5.384 9.615 ( -0.327 0.018 0.050) 0.331 9.788 ( 0.418 -0.717 -6.526) 6.578 9.996 ( -4.370 7.555 10.230) 13.447 10.180 ( 8.121 0.061 8.583) 11.816 10.600 ( -2.631 1.624 -3.960) 5.024 10.681 ( 2.243 -3.337 3.088) 5.070 10.713 ( -1.466 1.483 -2.162) 3.004 11.002 ( -2.714 2.990 -1.883) 4.456 11.093 ( -0.422 0.421 0.529) 0.797 11.285 ( 11.591 2.610 -2.707) 12.186 11.452 ( -3.052 -0.950 -0.334) 3.213 11.591 ( 3.061 -0.373 1.179) 3.301 11.795 ( -11.893 -0.320 9.862) 15.453 11.953 ( -4.192 -2.592 -3.208) 5.881 12.168 ( 5.205 -6.091 -5.929) 9.967 12.428 ( 8.381 -0.374 -5.207) 9.874 12.551 ( 0.599 7.939 0.980) 8.021 12.821 ( 0.745 -1.455 4.287) 4.588 13.120 ( 1.328 1.816 3.601) 4.246 13.271 ( -7.612 -3.402 -1.647) 8.499 13.646 ( 2.180 -1.447 -2.579) 3.674 13.872 ( -5.540 -3.094 -5.921) 8.679 14.199 ( 4.376 -0.917 0.327) 4.483 14.303 ( -2.505 5.165 2.340) 6.199 14.471 ( 0.807 -0.978 3.681) 3.894 14.693 ( -5.073 3.339 3.472) 6.995 14.829 ( 2.302 1.487 5.894) 6.500 14.997 ( -6.270 -2.393 -5.505) 8.680 15.130 ( 1.951 -1.020 2.041) 3.002 15.327 ( 2.159 -1.694 7.288) 7.787 15.557 ( 1.158 -0.282 -2.390) 2.670 16.193 ( 2.281 0.270 -3.106) 3.863 16.402 ( -4.007 -0.762 1.899) 4.499 17.030 ( -2.771 -1.280 -1.126) 3.253 17.663 ( 11.090 9.068 -22.937) 27.043 18.620 ( 1.694 -2.047 3.245) 4.195 18.947 ( -24.375 -2.249 28.738) 37.750 20.481 ( 16.543 10.998 -11.938) 23.176 21.760 ( -2.115 2.787 -0.106) 3.500 21.947 ( -8.088 -8.216 -3.495) 12.047 23.561 ( -0.509 -0.116 3.031) 3.076 24.182 ( 0.866 -0.548 0.157) 1.036 24.328 ( 2.501 -2.276 -1.591) 3.738 ======================= Grid point 131 (43/204) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 2.189 7.651 9.864) 12.674 3.046 ( 0.703 0.472 -0.576) 1.024 3.283 ( -14.997 8.575 -2.730) 17.490 4.004 ( -2.634 -16.526 -5.113) 17.499 4.407 ( 7.063 3.130 10.184) 12.783 4.693 ( -2.286 0.769 -3.447) 4.207 5.039 ( -7.334 10.409 -2.390) 12.956 5.226 ( -9.788 2.169 -1.321) 10.112 5.888 ( -5.204 -9.509 -7.840) 13.378 6.227 ( -1.767 -4.401 -0.314) 4.753 6.578 ( 3.783 9.823 -3.514) 11.098 6.636 ( 1.786 4.670 4.544) 6.756 6.772 ( -4.191 -9.087 0.175) 10.009 7.116 ( 3.610 14.132 -8.367) 16.815 7.726 ( -2.542 3.889 10.429) 11.417 7.936 ( -8.322 -12.368 -6.318) 16.191 8.240 ( 6.857 -2.145 -3.110) 7.829 8.356 ( -2.908 1.360 -1.677) 3.623 8.658 ( -0.738 -3.035 -2.086) 3.756 8.829 ( -3.711 3.908 -1.252) 5.532 8.924 ( 5.249 -6.260 -2.252) 8.474 9.011 ( 1.140 2.043 3.025) 3.824 9.185 ( -4.310 -7.614 -3.880) 9.570 9.543 ( -2.131 3.653 -1.326) 4.433 9.855 ( 5.164 3.184 1.476) 6.244 9.962 ( 0.642 -5.211 7.492) 9.149 10.290 ( -1.371 -0.618 9.144) 9.267 10.525 ( 0.157 0.683 -2.906) 2.989 10.698 ( 0.311 1.837 -1.681) 2.509 10.760 ( 1.361 -4.414 1.720) 4.929 10.967 ( 2.977 3.058 -2.714) 5.058 11.088 ( -0.820 -1.348 0.900) 1.816 11.389 ( -4.046 -1.548 -2.286) 4.898 11.473 ( 14.421 2.588 -2.544) 14.871 11.617 ( -1.503 1.039 4.274) 4.648 11.659 ( -8.396 0.846 8.692) 12.114 11.920 ( 1.551 1.406 -4.515) 4.977 12.291 ( 3.438 -3.445 -1.708) 5.158 12.411 ( -1.509 2.419 -4.259) 5.125 12.629 ( 7.995 -2.702 2.443) 8.786 12.888 ( 1.748 -3.441 3.734) 5.370 13.135 ( -5.980 -1.631 10.199) 11.935 13.200 ( 0.713 -3.393 -8.193) 8.896 13.676 ( 0.470 2.195 -0.778) 2.376 13.785 ( -3.986 -4.295 -10.463) 11.992 14.200 ( -2.696 6.222 1.367) 6.917 14.241 ( 0.045 4.784 2.527) 5.410 14.491 ( 0.022 -1.733 2.080) 2.708 14.532 ( -6.014 10.101 1.400) 11.839 14.817 ( -1.146 2.023 0.387) 2.357 14.893 ( -4.571 -3.808 -6.073) 8.502 15.245 ( 4.810 -0.481 8.880) 10.111 15.467 ( 7.737 -1.753 7.742) 11.085 15.540 ( -0.059 2.907 -1.968) 3.511 16.275 ( 3.566 -1.703 -2.255) 4.550 16.406 ( 2.267 -5.105 3.764) 6.735 17.041 ( 0.345 -6.642 0.269) 6.656 17.648 ( 10.184 7.270 -30.290) 32.773 18.550 ( -12.928 4.017 11.943) 18.053 18.783 ( -12.311 -5.140 15.681) 20.588 20.619 ( 12.548 1.144 -5.482) 13.741 21.765 ( 5.706 0.927 -0.024) 5.781 21.900 ( -6.812 -9.459 -4.873) 12.634 23.569 ( -0.863 -1.030 3.087) 3.367 24.175 ( -0.888 1.729 -0.128) 1.948 24.366 ( 3.335 3.275 -0.256) 4.681 ======================= Grid point 132 (44/204) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -7.086 9.890 13.980) 18.533 2.660 ( -28.182 17.498 -6.353) 33.775 3.121 ( -1.909 2.230 -7.437) 7.996 4.165 ( -1.702 -10.188 0.016) 10.330 4.297 ( -10.028 7.836 12.899) 18.120 4.576 ( -10.713 7.839 -9.462) 16.302 4.853 ( -21.568 -3.337 -11.917) 24.866 5.031 ( 7.252 1.092 12.165) 14.205 5.953 ( 1.586 -10.116 -1.513) 10.351 5.988 ( -18.997 12.858 -6.207) 23.764 6.430 ( -4.944 4.995 -2.526) 7.468 6.622 ( -0.802 5.817 -0.137) 5.874 6.954 ( 4.410 -12.519 1.682) 13.379 7.080 ( 12.463 9.227 -4.265) 16.083 7.654 ( -4.254 3.971 3.631) 6.859 7.887 ( -8.542 -9.599 -5.237) 13.876 8.267 ( -9.423 -1.221 -1.428) 9.609 8.386 ( 3.884 -6.316 -0.895) 7.469 8.622 ( -7.015 0.809 7.262) 10.129 8.696 ( 0.315 -2.013 -13.295) 13.451 8.976 ( 0.341 0.130 2.079) 2.111 9.080 ( -0.965 -4.073 -4.687) 6.283 9.249 ( 9.350 -5.770 -4.539) 11.888 9.536 ( 1.179 -2.828 1.982) 3.649 9.864 ( -1.293 2.954 10.398) 10.887 10.124 ( 4.909 -5.121 1.553) 7.262 10.283 ( -2.559 -4.312 4.321) 6.619 10.533 ( 0.936 1.385 3.433) 3.818 10.658 ( -2.582 1.500 1.081) 3.176 10.809 ( -1.945 -5.228 -1.497) 5.776 10.967 ( 0.334 2.973 -2.336) 3.796 11.107 ( 0.121 -4.176 0.391) 4.196 11.373 ( 0.742 -2.832 -2.988) 4.183 11.549 ( -5.542 0.580 4.859) 7.394 11.607 ( 2.720 4.566 4.392) 6.895 11.674 ( 11.163 -0.176 -4.191) 11.925 11.927 ( 4.879 3.986 -4.889) 7.975 12.240 ( -7.602 0.112 0.613) 7.628 12.448 ( 4.630 -0.894 -2.866) 5.518 12.785 ( 3.302 -5.231 3.498) 7.107 12.956 ( -1.015 -4.908 3.623) 6.184 13.068 ( -4.978 -2.161 -0.579) 5.458 13.257 ( 2.074 -1.045 2.359) 3.310 13.555 ( -8.995 0.588 -5.258) 10.435 13.784 ( 2.439 0.051 -8.329) 8.679 14.085 ( -3.661 9.287 5.672) 11.481 14.169 ( -0.212 7.009 -1.010) 7.085 14.357 ( -0.342 9.620 5.583) 11.128 14.581 ( 4.539 -4.446 0.036) 6.354 14.796 ( 0.794 1.124 -0.502) 1.465 14.889 ( 0.879 -4.042 -3.113) 5.177 15.334 ( 2.816 2.140 7.857) 8.616 15.493 ( -0.443 3.205 -1.458) 3.549 15.617 ( 4.644 0.720 7.998) 9.277 16.283 ( -1.491 -2.482 -2.058) 3.552 16.584 ( 9.131 -4.487 -0.301) 10.179 17.187 ( 4.819 -13.194 1.789) 14.160 17.584 ( 6.320 5.275 -34.644) 35.609 18.319 ( -15.498 3.114 10.063) 18.739 18.705 ( -9.476 -1.092 12.841) 15.996 20.808 ( 6.307 -10.112 1.158) 11.974 21.829 ( 1.789 5.925 -0.626) 6.221 21.967 ( 6.065 -16.559 -4.808) 18.278 23.578 ( -1.208 -1.602 3.203) 3.780 24.123 ( -2.058 3.519 -0.505) 4.108 24.370 ( 4.759 9.154 1.277) 10.396 ======================= Grid point 133 (45/204) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -31.523 20.511 -6.749) 38.209 1.976 ( -17.034 14.517 17.379) 28.336 2.968 ( -7.557 8.328 -6.166) 12.825 3.719 ( -35.415 22.266 2.956) 41.937 4.123 ( -13.877 9.339 -9.463) 19.218 4.482 ( 2.249 -9.014 -10.831) 14.269 4.595 ( -12.220 -15.861 5.916) 20.878 5.271 ( 4.805 -6.404 5.399) 9.656 5.485 ( -18.847 14.181 -2.596) 23.729 6.026 ( -7.234 -5.167 4.236) 9.847 6.327 ( 3.272 2.712 -0.260) 4.257 6.580 ( 1.707 2.670 -2.822) 4.244 7.035 ( 5.813 9.107 8.407) 13.690 7.272 ( 8.806 -7.371 -9.108) 14.657 7.573 ( -4.055 -1.831 -6.625) 7.980 7.754 ( -13.366 -2.711 -6.127) 14.951 8.060 ( -13.108 -0.096 8.478) 15.611 8.449 ( -2.126 -5.553 -7.139) 9.291 8.605 ( -0.599 -0.490 5.392) 5.448 8.762 ( 7.277 -7.175 -9.551) 13.988 8.993 ( 1.990 0.244 -0.535) 2.075 9.081 ( 1.185 -3.694 -7.456) 8.405 9.441 ( 10.414 -0.884 -2.977) 10.867 9.621 ( 0.863 -7.209 2.906) 7.820 9.838 ( -5.378 0.207 9.249) 10.701 10.148 ( -2.363 3.107 5.546) 6.782 10.372 ( 2.856 -7.091 -1.465) 7.784 10.535 ( -2.905 3.709 2.902) 5.534 10.629 ( -0.933 -3.956 6.545) 7.704 10.783 ( -4.690 -4.236 -2.754) 6.894 10.947 ( 0.756 -1.886 -3.463) 4.015 11.156 ( -0.962 -4.456 2.477) 5.188 11.397 ( 0.304 -2.148 -2.497) 3.307 11.508 ( 0.246 0.261 -0.680) 0.769 11.645 ( 4.588 2.580 1.016) 5.361 11.830 ( 9.810 0.954 -2.547) 10.180 11.965 ( 6.401 2.069 -5.114) 8.450 12.115 ( -9.747 -3.822 -0.518) 10.483 12.484 ( 1.886 3.507 0.778) 4.058 12.753 ( -15.337 -0.243 7.778) 17.199 12.981 ( -0.586 -4.485 -3.924) 5.988 13.031 ( -5.449 -2.977 -5.405) 8.231 13.269 ( 3.701 4.554 3.948) 7.073 13.462 ( -1.499 -3.081 -3.012) 4.562 13.682 ( -3.529 11.508 -5.065) 13.060 14.019 ( 0.542 2.126 6.857) 7.200 14.139 ( 5.546 7.335 0.211) 9.198 14.411 ( 9.747 2.985 8.046) 12.987 14.707 ( 3.960 -6.385 0.509) 7.530 14.811 ( 1.230 0.004 1.760) 2.147 14.956 ( 4.940 -1.879 -2.518) 5.855 15.352 ( 0.568 4.877 2.687) 5.597 15.462 ( -0.288 1.041 1.523) 1.867 15.662 ( 0.401 3.774 6.694) 7.695 16.275 ( -3.677 -6.257 -6.088) 9.473 16.721 ( 5.635 -0.345 -6.493) 8.604 17.430 ( 7.520 -10.816 -5.193) 14.160 17.479 ( 1.935 -1.061 -26.451) 26.543 18.099 ( -11.209 3.299 5.541) 12.932 18.608 ( -9.736 -0.210 12.453) 15.809 21.026 ( -0.559 -21.653 6.618) 22.648 21.779 ( -4.440 -1.472 0.812) 4.748 22.280 ( 16.440 -11.164 -3.939) 20.259 23.586 ( -1.740 -1.950 3.380) 4.273 24.042 ( -2.478 4.528 -0.977) 5.254 24.358 ( 8.099 15.442 3.247) 17.736 ======================= Grid point 134 (46/204) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -32.329 14.542 0.037) 35.449 1.556 ( -20.969 23.621 23.707) 39.493 2.556 ( -42.662 18.144 5.725) 46.712 2.875 ( -22.908 18.303 -1.378) 29.354 3.978 ( 2.030 0.518 -9.171) 9.407 4.332 ( -7.144 -5.196 -26.408) 27.846 4.709 ( -6.621 0.365 3.208) 7.367 5.045 ( -10.003 -2.949 -7.418) 12.798 5.398 ( -11.211 -5.036 16.556) 20.619 5.901 ( -4.841 4.894 1.941) 7.152 6.498 ( 9.481 -5.119 4.779) 11.787 6.598 ( 1.147 -4.207 -3.792) 5.779 7.041 ( 5.115 14.970 11.348) 19.469 7.355 ( 0.284 -2.567 -13.070) 13.322 7.466 ( -6.922 -6.003 -8.902) 12.775 7.630 ( -0.886 -0.726 1.432) 1.834 7.927 ( -9.811 -1.628 3.064) 10.407 8.357 ( -8.841 0.778 -5.651) 10.521 8.658 ( 2.749 -4.748 1.052) 5.586 8.873 ( 3.219 -1.088 -6.091) 6.975 9.049 ( 2.936 -5.986 -9.553) 11.649 9.164 ( 10.265 0.640 0.410) 10.293 9.565 ( 7.702 2.584 -2.416) 8.475 9.694 ( -2.787 -6.448 3.678) 7.929 9.765 ( -7.633 -1.127 5.407) 9.421 10.084 ( -2.467 5.882 4.035) 7.547 10.368 ( -11.365 -1.772 0.247) 11.505 10.486 ( 1.603 -3.250 -0.610) 3.675 10.696 ( -0.300 -3.554 0.172) 3.571 10.802 ( 4.453 -1.431 2.552) 5.328 11.002 ( 3.056 -6.651 -4.703) 8.701 11.165 ( -3.676 -2.825 1.538) 4.884 11.433 ( 2.169 -4.051 -2.746) 5.353 11.541 ( 3.521 -0.607 -0.031) 3.573 11.694 ( 5.302 3.144 -1.500) 6.344 11.933 ( 4.193 1.687 1.649) 4.811 11.977 ( -7.343 -5.675 -3.249) 9.832 12.074 ( 2.307 -4.749 -4.357) 6.845 12.445 ( -19.761 6.086 6.056) 21.545 12.460 ( 2.576 9.257 4.825) 10.752 12.870 ( -7.554 -0.312 -6.279) 9.828 13.021 ( -0.035 -2.311 -0.981) 2.511 13.277 ( -0.902 7.965 -6.123) 10.087 13.484 ( 4.119 -0.118 2.820) 4.993 13.569 ( 3.343 6.276 3.349) 7.860 14.066 ( 2.394 -0.466 4.350) 4.987 14.174 ( 5.050 5.547 1.699) 7.692 14.612 ( 12.462 0.831 5.393) 13.605 14.815 ( -1.132 -9.763 -3.912) 10.579 14.847 ( -0.196 -2.750 4.426) 5.215 15.068 ( 9.971 2.114 1.576) 10.313 15.273 ( -2.854 7.029 -3.681) 8.432 15.456 ( -3.646 -1.328 -1.408) 4.128 15.632 ( -1.054 3.786 2.616) 4.721 16.211 ( -10.086 -10.741 -9.521) 17.543 16.700 ( 1.023 6.570 -11.226) 13.048 17.371 ( 1.350 1.176 -22.458) 22.529 17.636 ( 1.351 -9.119 0.396) 9.227 17.981 ( -1.793 1.221 3.742) 4.325 18.502 ( -10.237 -0.953 11.088) 15.121 21.273 ( -4.019 -28.897 8.768) 30.464 21.743 ( -9.407 -12.477 6.972) 17.110 22.647 ( 17.779 -9.069 -3.144) 20.205 23.588 ( -2.899 -2.996 3.780) 5.627 23.954 ( -2.067 4.461 -1.415) 5.116 24.367 ( 14.491 21.976 4.303) 26.673 ======================= Grid point 135 (47/204) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -25.466 -4.259 25.011) 35.947 1.079 ( -23.965 23.427 28.544) 44.021 1.530 ( -49.163 24.705 29.901) 62.621 2.562 ( -7.036 10.343 0.707) 12.529 4.009 ( 5.175 -2.400 -15.527) 16.541 4.215 ( 1.020 -4.204 -24.442) 24.822 4.412 ( -12.033 7.881 -11.728) 18.559 5.050 ( -1.583 -4.356 2.288) 5.168 5.253 ( -16.070 -2.191 11.765) 20.036 5.862 ( 3.310 2.714 5.217) 6.748 6.541 ( -3.952 -1.626 -13.412) 14.076 6.689 ( 0.066 -5.104 11.405) 12.495 7.144 ( 9.664 3.999 12.877) 16.589 7.213 ( -4.451 3.369 -15.832) 16.788 7.496 ( 5.942 -3.224 7.690) 10.239 7.703 ( 7.383 0.003 3.723) 8.269 7.767 ( -8.210 2.133 -0.687) 8.510 8.137 ( -12.699 3.298 -0.747) 13.142 8.781 ( 5.156 -5.568 1.236) 7.688 8.869 ( 1.804 2.100 -3.806) 4.706 9.103 ( 3.916 -1.434 -5.762) 7.112 9.361 ( 12.837 0.488 2.348) 13.059 9.600 ( -1.940 0.297 1.339) 2.376 9.656 ( -8.268 0.159 11.675) 14.307 9.736 ( 2.691 -3.673 -5.675) 7.276 9.982 ( -1.914 7.503 -3.776) 8.615 10.214 ( -9.843 -1.807 3.565) 10.623 10.513 ( -2.813 -2.909 1.274) 4.242 10.748 ( 5.115 -2.678 -7.300) 9.308 10.861 ( 2.222 2.673 -4.444) 5.642 11.065 ( -5.901 -1.423 -0.094) 6.071 11.179 ( 7.564 -4.198 -3.522) 9.340 11.505 ( 2.535 -4.491 -5.416) 7.479 11.606 ( 2.061 0.671 3.774) 4.352 11.758 ( 3.567 -1.272 0.118) 3.789 11.877 ( -8.035 -2.559 0.717) 8.463 11.941 ( -10.619 -4.251 -1.953) 11.604 12.026 ( -6.084 1.660 6.326) 8.932 12.275 ( 6.489 0.533 -6.428) 9.149 12.504 ( 11.591 7.050 13.437) 19.095 12.785 ( -1.059 2.804 3.614) 4.695 12.977 ( 2.683 11.890 -9.039) 15.175 13.169 ( -2.526 0.112 1.966) 3.203 13.528 ( 1.253 3.253 5.590) 6.588 13.658 ( 7.394 1.197 2.264) 7.825 14.118 ( 0.102 -1.792 1.078) 2.094 14.189 ( 2.067 4.474 1.749) 5.230 14.578 ( -46.539 -5.748 -44.984) 64.981 14.817 ( 10.212 -2.009 -1.371) 10.498 14.902 ( 5.877 2.556 0.001) 6.408 15.032 ( -11.206 4.153 -6.675) 13.689 15.191 ( -1.787 2.058 2.490) 3.692 15.308 ( 0.010 1.349 -1.692) 2.164 15.619 ( 0.614 0.399 1.173) 1.383 16.309 ( 7.910 -17.157 23.444) 30.109 16.648 ( 14.159 12.329 9.424) 21.007 17.298 ( 1.009 0.564 -12.972) 13.024 17.695 ( 0.405 -2.045 7.541) 7.824 18.019 ( 3.457 -0.361 -1.206) 3.679 18.388 ( -10.347 -0.920 8.571) 13.468 21.485 ( 1.386 -9.187 2.630) 9.656 21.875 ( -16.734 -52.976 16.339) 57.909 22.968 ( 13.938 -4.641 -1.852) 14.807 23.594 ( -5.051 -8.959 4.075) 11.063 23.885 ( -0.862 2.996 -1.681) 3.541 24.375 ( 12.043 29.439 -10.099) 33.372 ======================= Grid point 137 (48/204) ======================= q-point: ( 0.09 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 25.502 0.000 30.248) 39.563 1.746 ( 30.791 0.000 25.667) 40.086 2.548 ( 33.359 0.000 16.774) 37.338 2.746 ( 22.006 0.000 1.289) 22.044 3.673 ( 1.227 0.000 -31.956) 31.980 4.453 ( 14.779 0.000 2.593) 15.005 4.551 ( -1.640 -0.000 -13.323) 13.424 4.776 ( 11.211 0.000 -22.195) 24.866 5.469 ( 9.431 0.000 12.262) 15.469 6.249 ( 4.016 0.000 12.566) 13.192 6.264 ( -9.500 -0.000 -5.736) 11.097 6.502 ( 1.297 0.000 -2.892) 3.169 7.142 ( 12.672 0.000 12.856) 18.051 7.503 ( 3.101 0.000 -2.180) 3.791 7.563 ( -9.890 -0.000 1.961) 10.082 7.736 ( 5.541 0.000 1.663) 5.785 8.008 ( 2.040 0.000 -8.262) 8.510 8.648 ( 8.972 0.000 15.337) 17.768 9.040 ( -21.009 -0.000 -10.401) 23.443 9.063 ( -3.356 -0.000 3.377) 4.761 9.097 ( -1.827 -0.000 -8.149) 8.351 9.281 ( -0.159 -0.000 -5.796) 5.798 9.558 ( 1.066 0.000 4.295) 4.425 9.622 ( -13.110 -0.000 6.370) 14.575 9.766 ( 6.069 0.000 -3.256) 6.887 9.866 ( 2.036 0.000 -2.876) 3.524 10.198 ( 2.908 0.000 -3.417) 4.487 10.329 ( 0.359 0.000 -5.886) 5.897 10.658 ( -1.419 -0.000 -1.315) 1.934 10.921 ( 2.906 0.000 -8.551) 9.031 10.954 ( -3.289 -0.000 4.682) 5.722 11.269 ( -6.726 -0.000 3.231) 7.462 11.482 ( -4.461 -0.000 -1.740) 4.788 11.527 ( 6.519 0.000 -12.630) 14.213 11.675 ( -1.966 -0.000 -2.342) 3.057 11.722 ( -1.999 -0.000 6.858) 7.143 11.843 ( 1.921 0.000 5.114) 5.463 12.135 ( 12.563 0.000 -4.547) 13.360 12.254 ( -1.283 -0.000 1.953) 2.337 12.740 ( -1.078 -0.000 4.341) 4.473 12.885 ( -1.809 -0.000 -10.418) 10.574 13.064 ( 13.881 0.000 7.048) 15.568 13.467 ( -0.506 -0.000 1.652) 1.728 13.473 ( 5.674 0.000 7.233) 9.193 13.644 ( 4.765 0.000 9.928) 11.013 13.901 ( -5.011 -0.000 -8.096) 9.521 14.006 ( -4.661 -0.000 1.348) 4.852 14.431 ( 2.722 0.000 1.388) 3.056 14.728 ( -0.236 -0.000 -7.253) 7.257 14.742 ( -7.799 -0.000 -3.778) 8.666 15.040 ( 0.118 0.000 2.333) 2.336 15.278 ( -1.807 -0.000 1.258) 2.201 15.462 ( -5.695 -0.000 -3.743) 6.815 15.488 ( 4.525 0.000 4.402) 6.313 16.432 ( -1.376 -0.000 2.662) 2.997 16.773 ( -7.112 -0.000 -6.648) 9.735 17.708 ( -12.130 -0.000 -13.609) 18.230 17.906 ( 6.611 0.000 4.818) 8.181 18.080 ( -1.877 -0.000 -4.771) 5.127 19.797 ( -14.294 -0.000 18.791) 23.610 21.735 ( 4.504 0.000 8.654) 9.756 21.788 ( -15.274 -0.000 -6.987) 16.796 21.876 ( -0.980 -0.000 -16.855) 16.884 23.484 ( 4.207 0.000 12.548) 13.235 23.740 ( 3.218 0.000 0.842) 3.327 23.916 ( 3.427 0.000 -1.251) 3.648 ======================= Grid point 138 (49/204) ======================= q-point: ( 0.18 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 23.542 16.659 24.907) 38.106 2.381 ( 30.463 -3.448 20.532) 36.898 3.057 ( 23.369 -9.990 2.978) 25.588 3.207 ( 18.277 -11.270 -0.004) 21.473 3.585 ( 10.008 5.657 -28.315) 30.560 4.450 ( -4.640 -10.697 -14.047) 18.256 4.814 ( 19.461 1.961 0.572) 19.568 4.874 ( 11.725 -1.130 -14.026) 18.316 5.579 ( 0.036 -1.587 6.477) 6.669 6.242 ( 10.912 5.274 7.497) 14.251 6.407 ( 3.346 -6.423 8.582) 11.230 6.463 ( -3.112 1.826 1.898) 4.076 7.333 ( 1.295 4.482 13.168) 13.970 7.418 ( -7.282 -2.965 5.588) 9.646 7.611 ( 12.583 2.144 -10.838) 16.745 7.781 ( 0.179 3.237 -1.869) 3.742 8.021 ( 6.407 -0.889 -9.165) 11.218 8.649 ( -14.990 -3.538 -13.934) 20.770 8.848 ( 8.136 7.867 10.557) 15.477 8.910 ( -6.763 6.253 1.691) 9.364 9.051 ( -4.982 0.192 -2.348) 5.511 9.249 ( -0.367 -0.860 -9.095) 9.143 9.373 ( -10.111 8.550 5.545) 14.355 9.567 ( -4.492 -2.729 -2.160) 5.682 9.861 ( 0.947 2.390 6.287) 6.792 9.947 ( 7.284 -4.732 0.850) 8.728 10.240 ( 2.882 -3.566 -4.806) 6.643 10.386 ( 6.423 -0.419 0.193) 6.439 10.615 ( 1.279 7.907 -1.428) 8.136 10.919 ( -0.451 0.541 -2.794) 2.882 10.943 ( -1.174 -4.258 1.994) 4.846 11.190 ( -2.040 3.519 1.653) 4.390 11.419 ( -2.105 0.167 -1.628) 2.667 11.540 ( -0.656 2.448 -6.855) 7.309 11.643 ( 3.924 2.278 -1.527) 4.788 11.722 ( -3.472 -2.957 -1.347) 4.756 11.901 ( -0.569 -3.471 6.444) 7.341 12.136 ( -13.777 -2.838 5.494) 15.101 12.294 ( 11.851 2.713 -12.108) 17.159 12.775 ( 1.809 1.288 0.100) 2.223 12.843 ( 1.839 -0.045 -5.717) 6.006 13.183 ( 1.913 1.568 -2.524) 3.533 13.466 ( -1.062 4.029 5.044) 6.542 13.517 ( -0.272 -2.100 6.313) 6.659 13.807 ( -8.196 -8.981 -4.963) 13.133 13.875 ( 6.961 -1.679 9.021) 11.518 14.050 ( 14.354 0.958 10.610) 17.876 14.431 ( -5.139 -1.812 1.535) 5.661 14.631 ( -1.215 0.668 -2.815) 3.138 14.718 ( 0.346 -1.673 -6.185) 6.417 15.033 ( -2.890 -1.081 2.427) 3.926 15.242 ( -3.164 1.547 3.962) 5.301 15.362 ( -4.784 -1.795 -6.203) 8.036 15.547 ( 0.878 0.676 4.159) 4.304 16.401 ( -3.787 0.546 2.159) 4.393 16.638 ( -6.334 0.437 -5.263) 8.247 17.422 ( -11.973 4.152 -16.094) 20.484 17.946 ( 4.005 9.601 -3.740) 11.054 18.134 ( 4.820 -9.184 -1.593) 10.493 19.553 ( -28.962 -0.605 39.499) 48.983 21.218 ( 1.724 41.533 -14.000) 43.863 21.844 ( 3.934 0.448 9.043) 9.872 22.011 ( -8.395 -20.693 -22.996) 32.054 23.580 ( 0.692 -0.186 8.049) 8.081 23.857 ( 5.407 -8.545 1.005) 10.161 23.988 ( 3.713 -3.151 -0.505) 4.896 ======================= Grid point 139 (50/204) ======================= q-point: ( 0.27 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 20.133 21.427 15.537) 33.254 2.924 ( 23.734 -3.649 14.385) 27.992 3.281 ( 10.183 20.019 -11.666) 25.309 3.622 ( 22.787 -17.450 -2.972) 28.855 3.772 ( 11.907 -13.773 -9.926) 20.736 4.557 ( 4.040 -19.859 -6.585) 21.308 4.764 ( -3.984 0.145 -10.730) 11.447 5.192 ( 14.877 3.424 1.637) 15.353 5.637 ( 0.859 -4.675 2.783) 5.508 6.344 ( -5.982 2.470 4.895) 8.115 6.460 ( 11.891 -0.037 7.097) 13.848 6.618 ( 8.183 -4.985 6.814) 11.758 7.117 ( -15.234 8.937 -4.729) 18.284 7.500 ( 4.946 5.843 14.841) 16.699 7.612 ( 1.103 5.519 -3.241) 6.494 7.788 ( 4.717 -4.119 -10.244) 12.007 8.144 ( 5.656 -3.493 -7.242) 9.830 8.508 ( -6.552 -8.157 -8.604) 13.546 8.711 ( -4.412 3.145 -4.219) 6.867 8.891 ( -5.813 3.331 -10.385) 12.359 8.961 ( 5.488 12.183 12.427) 18.248 9.149 ( -4.159 4.986 -5.901) 8.774 9.291 ( 1.195 3.107 5.574) 6.492 9.514 ( -3.162 -3.322 -0.198) 4.590 9.854 ( -1.987 1.664 6.092) 6.620 10.083 ( 6.952 1.804 1.841) 7.415 10.314 ( 2.640 0.447 -1.118) 2.901 10.439 ( -1.393 1.360 5.130) 5.487 10.597 ( 6.706 1.715 -3.142) 7.601 10.899 ( 1.209 5.336 0.198) 5.475 10.995 ( -0.972 -7.150 1.924) 7.468 11.163 ( -0.350 1.063 2.033) 2.320 11.333 ( -5.087 3.370 -7.054) 9.327 11.487 ( 1.220 3.829 -1.009) 4.143 11.573 ( -4.495 1.700 -0.576) 4.841 11.785 ( 6.231 -3.854 -7.614) 10.567 11.913 ( -7.856 -5.280 6.986) 11.764 12.010 ( -9.155 -5.886 7.225) 13.064 12.373 ( 9.918 4.027 -12.673) 16.589 12.761 ( -0.146 3.109 -0.304) 3.127 12.839 ( -0.654 1.924 -0.691) 2.146 13.181 ( 3.519 3.184 -7.252) 8.667 13.368 ( -7.349 5.000 7.393) 11.561 13.549 ( -1.769 -5.228 -0.253) 5.525 13.777 ( -6.214 -12.304 -3.989) 14.349 14.014 ( 5.965 -2.055 5.544) 8.399 14.327 ( -5.404 -3.027 3.268) 7.003 14.412 ( 15.844 4.057 13.181) 21.006 14.660 ( 2.791 -2.419 3.708) 5.234 14.737 ( 3.782 -0.358 -2.781) 4.707 14.991 ( -5.148 -2.557 0.451) 5.766 15.190 ( -2.776 1.618 0.530) 3.256 15.284 ( -4.771 -2.347 -2.708) 5.967 15.547 ( -0.881 1.071 2.303) 2.688 16.313 ( -6.238 1.190 -0.577) 6.376 16.515 ( -5.738 1.265 -3.248) 6.714 17.155 ( -8.702 2.293 -13.580) 16.291 17.898 ( 6.907 11.072 -9.636) 16.222 18.325 ( 7.552 -9.458 -1.846) 12.243 19.238 ( -31.114 -0.639 40.116) 50.772 20.886 ( 2.995 24.306 -12.197) 27.359 21.876 ( -7.949 -3.643 -6.549) 10.925 21.945 ( 2.672 0.662 -5.288) 5.961 23.590 ( -0.558 1.825 3.823) 4.272 24.045 ( 5.999 -8.190 -0.267) 10.155 24.082 ( 2.722 -5.553 0.907) 6.250 ======================= Grid point 140 (51/204) ======================= q-point: ( 0.36 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 15.723 20.623 11.668) 28.437 3.207 ( 13.810 21.363 -6.942) 26.368 3.329 ( 13.790 -4.236 8.373) 16.680 3.826 ( 1.333 -3.747 -20.328) 20.713 4.161 ( 11.619 -13.005 5.735) 18.358 4.736 ( 3.357 -4.431 3.603) 6.624 4.847 ( 6.787 -14.692 -4.762) 16.870 5.290 ( 5.351 2.083 0.548) 5.768 5.695 ( -2.953 -9.514 -1.848) 10.132 6.209 ( -12.164 0.509 1.140) 12.228 6.632 ( 0.587 -1.624 -5.610) 5.869 6.741 ( 0.073 5.772 3.519) 6.761 6.826 ( 2.355 4.875 4.153) 6.823 7.466 ( 3.852 12.524 -2.352) 13.312 7.683 ( -0.718 -4.500 9.413) 10.458 7.883 ( 0.179 -7.643 -7.089) 10.426 8.086 ( -4.545 1.287 -3.780) 6.050 8.499 ( 0.660 -5.420 -4.720) 7.217 8.619 ( -6.302 3.234 -4.547) 8.418 8.810 ( 2.287 -2.348 -3.779) 5.003 8.961 ( 3.479 7.179 0.969) 8.036 9.014 ( -3.793 3.724 -5.896) 7.938 9.254 ( -2.638 5.633 2.456) 6.688 9.568 ( 3.267 -3.602 4.387) 6.550 9.814 ( -2.330 2.655 -0.142) 3.535 10.162 ( 0.136 6.032 7.400) 9.548 10.244 ( 3.312 8.026 5.869) 10.480 10.507 ( 0.564 -7.682 1.005) 7.768 10.684 ( 5.468 0.914 -3.313) 6.458 10.797 ( -6.703 6.875 -0.472) 9.614 11.011 ( -4.790 -3.780 0.005) 6.102 11.118 ( 0.046 2.856 2.896) 4.068 11.319 ( 7.900 0.202 -5.307) 9.519 11.446 ( -2.578 0.766 0.038) 2.689 11.577 ( 3.758 -1.446 -2.367) 4.671 11.792 ( -7.930 -0.404 7.720) 11.075 11.872 ( -3.458 -3.333 2.336) 5.341 12.046 ( 4.319 -6.530 -1.960) 8.070 12.446 ( 7.473 1.957 -6.891) 10.352 12.706 ( -1.389 5.688 -2.339) 6.305 12.802 ( -1.616 0.659 3.936) 4.306 13.155 ( 1.374 2.317 -6.794) 7.309 13.221 ( -11.418 -1.366 4.085) 12.203 13.594 ( 2.663 -3.502 -1.137) 4.544 13.786 ( -3.160 -6.623 -5.358) 9.086 14.152 ( 5.851 -2.769 3.498) 7.357 14.251 ( -8.477 -5.811 2.888) 10.675 14.558 ( 2.985 5.418 3.798) 7.259 14.749 ( 3.067 2.717 2.802) 4.963 14.864 ( 5.109 2.037 8.782) 10.362 14.938 ( -2.208 -3.830 -1.985) 4.846 15.103 ( -3.081 -1.408 -4.053) 5.282 15.286 ( 0.818 -2.034 8.217) 8.504 15.545 ( 1.286 -0.486 -0.481) 1.457 16.200 ( -3.768 0.216 -5.284) 6.494 16.415 ( -4.103 1.547 0.605) 4.427 16.989 ( -6.822 -2.474 -8.435) 11.127 17.870 ( 9.741 11.702 -15.967) 22.062 18.528 ( 7.710 -7.365 -2.174) 10.882 18.909 ( -30.144 -1.488 34.445) 45.796 20.708 ( 0.183 10.423 -5.363) 11.723 21.725 ( -4.910 -1.089 -16.228) 16.990 21.978 ( 3.847 5.641 4.772) 8.330 23.575 ( -0.660 1.441 2.194) 2.706 24.149 ( 2.248 -2.492 0.063) 3.357 24.226 ( 4.828 -7.259 0.355) 8.725 ======================= Grid point 141 (52/204) ======================= q-point: (-0.55 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 9.282 19.982 11.928) 25.055 3.235 ( 13.491 17.173 0.329) 21.841 3.453 ( -0.871 7.808 -1.198) 7.947 3.736 ( -6.783 -9.997 -16.858) 20.740 4.421 ( 10.414 -1.651 12.005) 15.978 4.735 ( -4.074 3.421 -0.945) 5.403 5.073 ( 3.123 -7.598 -0.804) 8.254 5.346 ( 1.301 5.810 -0.112) 5.955 5.664 ( -12.872 -10.961 -6.040) 17.953 6.069 ( -1.384 -7.819 -0.607) 7.964 6.535 ( -4.100 -4.522 -9.153) 11.002 6.760 ( 2.013 5.305 2.605) 6.243 6.845 ( -0.958 8.398 5.059) 9.851 7.392 ( 3.659 12.443 -4.201) 13.633 7.639 ( -12.797 -12.024 -4.830) 18.211 7.815 ( -4.944 1.043 7.781) 9.278 8.178 ( 6.241 -4.070 -0.618) 7.476 8.422 ( -7.556 2.671 -2.420) 8.372 8.578 ( 1.024 -3.795 0.362) 3.947 8.833 ( -1.887 -1.387 -6.663) 7.063 8.911 ( -1.611 2.599 -0.366) 3.079 8.988 ( 1.567 -5.906 -7.639) 9.782 9.138 ( -5.536 5.550 3.162) 8.453 9.647 ( 0.506 4.863 2.353) 5.426 9.778 ( 3.735 -4.707 -3.947) 7.189 10.050 ( -3.529 8.806 8.004) 12.412 10.308 ( -1.067 2.582 9.666) 10.062 10.522 ( -2.513 -1.505 -1.450) 3.268 10.680 ( -0.298 -2.271 1.856) 2.948 10.742 ( 3.090 1.829 -4.673) 5.893 11.003 ( 2.008 -0.286 -1.769) 2.691 11.104 ( -0.681 3.713 4.218) 5.661 11.344 ( -6.104 -3.649 -3.106) 7.760 11.492 ( 10.153 -0.204 -3.212) 10.651 11.611 ( -3.353 -1.627 3.497) 5.110 11.740 ( 1.380 6.709 8.321) 10.778 11.880 ( 0.936 -4.726 -1.958) 5.200 12.204 ( 7.775 -4.364 -0.533) 8.932 12.465 ( -2.860 2.337 -4.537) 5.850 12.625 ( 1.813 2.140 -0.685) 2.888 12.827 ( -0.405 -3.065 6.550) 7.243 13.079 ( -10.436 -3.415 4.603) 11.906 13.159 ( 3.387 -0.868 -6.667) 7.528 13.678 ( 4.565 -3.196 -4.483) 7.152 13.736 ( -4.498 0.130 -5.616) 7.197 14.199 ( -6.433 -4.617 3.485) 8.651 14.266 ( 2.833 -2.021 2.520) 4.296 14.527 ( -0.980 4.409 2.639) 5.231 14.707 ( -3.184 6.248 0.359) 7.022 14.799 ( -5.547 -3.208 -4.076) 7.594 14.921 ( 0.647 6.273 -2.253) 6.697 15.207 ( 5.652 -2.715 9.923) 11.738 15.415 ( 7.186 -3.262 8.132) 11.332 15.580 ( 2.309 0.680 -1.151) 2.668 16.201 ( 4.029 -5.760 -5.557) 8.961 16.356 ( -2.903 0.805 3.842) 4.882 16.911 ( -4.862 -6.585 -4.764) 9.471 17.825 ( 7.761 10.467 -23.213) 26.620 18.591 ( -24.468 -0.485 25.573) 35.396 18.681 ( 2.381 -4.538 1.220) 5.268 20.627 ( -3.987 -0.716 2.470) 4.744 21.646 ( 2.552 -2.364 -19.120) 19.433 22.000 ( 5.209 8.394 6.812) 11.999 23.562 ( -0.735 0.530 1.781) 1.998 24.187 ( 0.463 -0.495 0.297) 0.740 24.358 ( 4.941 -3.504 0.146) 6.059 ======================= Grid point 142 (53/204) ======================= q-point: (-0.45 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 0.762 20.462 12.095) 23.782 3.079 ( -14.911 21.040 -0.038) 25.788 3.289 ( 4.735 13.437 -14.077) 20.029 3.792 ( 2.836 -15.506 3.873) 16.232 4.528 ( -7.683 5.275 9.839) 13.552 4.670 ( 1.358 3.438 -5.518) 6.642 4.888 ( -19.640 5.325 -9.837) 22.602 5.193 ( -2.028 13.886 5.642) 15.124 5.706 ( 1.472 -14.826 1.635) 14.989 6.115 ( -7.179 -1.080 -5.861) 9.330 6.511 ( -4.382 -10.296 -8.404) 13.994 6.603 ( -12.596 7.776 4.140) 15.370 6.807 ( 6.974 2.409 -1.786) 7.592 7.332 ( 6.515 11.579 -3.175) 13.660 7.622 ( -6.372 -15.295 -2.835) 16.810 7.736 ( -6.281 2.793 9.303) 11.567 8.259 ( 1.059 -2.500 -4.346) 5.124 8.303 ( -5.814 0.596 3.613) 6.872 8.624 ( 0.029 -2.181 -0.289) 2.200 8.670 ( -13.296 -0.510 -4.151) 13.938 8.930 ( 2.579 -3.797 -3.936) 6.046 9.000 ( -6.215 -4.932 -3.723) 8.764 9.127 ( 8.538 -3.281 -0.867) 9.187 9.581 ( 1.408 6.012 -1.565) 6.370 9.942 ( -0.556 -4.469 6.324) 7.763 9.974 ( 5.268 1.274 0.792) 5.477 10.242 ( -6.590 -0.582 5.631) 8.688 10.529 ( -0.523 -1.410 3.399) 3.717 10.711 ( -3.081 -4.752 0.337) 5.674 10.726 ( 0.959 4.562 -1.815) 5.002 11.032 ( -5.809 2.246 2.981) 6.905 11.048 ( 3.114 -0.213 -3.099) 4.398 11.311 ( -0.082 -3.799 -2.324) 4.454 11.559 ( -3.462 -0.280 0.576) 3.520 11.636 ( 5.489 -0.820 -1.546) 5.761 11.751 ( 7.233 7.342 3.273) 10.813 11.950 ( 3.337 -1.740 -3.449) 5.105 12.247 ( -8.491 1.196 -1.540) 8.712 12.421 ( 5.656 -1.410 1.290) 5.970 12.697 ( 2.369 -3.807 2.954) 5.370 12.871 ( -1.981 -4.138 4.854) 6.679 13.011 ( -3.872 -3.608 0.553) 5.322 13.223 ( 3.716 -1.985 2.711) 5.009 13.579 ( -8.150 1.679 -10.551) 13.438 13.777 ( 6.396 -0.511 -3.194) 7.167 14.161 ( -3.799 -3.157 1.959) 5.314 14.260 ( -5.329 3.877 6.199) 9.047 14.513 ( 1.919 -0.295 -0.649) 2.047 14.567 ( -2.794 7.815 -1.011) 8.360 14.792 ( 0.380 -2.226 0.359) 2.286 14.885 ( 5.010 4.756 -3.674) 7.824 15.338 ( 3.639 -1.342 6.731) 7.768 15.550 ( 1.862 1.303 -1.026) 2.493 15.618 ( 5.147 0.394 8.048) 9.561 16.275 ( -0.890 0.831 -1.533) 1.958 16.429 ( 7.706 -10.092 -0.153) 12.699 16.939 ( -0.700 -11.410 -0.817) 11.460 17.710 ( 1.645 6.971 -27.027) 27.960 18.324 ( -20.917 -1.454 18.439) 27.922 18.720 ( -0.466 1.712 1.750) 2.492 20.606 ( -8.215 -9.639 9.164) 15.633 21.675 ( 4.724 -5.406 -20.189) 21.427 22.068 ( 11.847 9.444 7.918) 17.095 23.556 ( -0.855 -0.304 1.885) 2.092 24.177 ( -0.850 1.897 0.149) 2.084 24.457 ( 5.312 0.179 0.374) 5.328 ======================= Grid point 143 (54/204) ======================= q-point: (-0.36 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -14.624 21.979 2.320) 26.502 2.571 ( -13.387 30.451 9.306) 34.540 3.166 ( 1.802 9.741 -15.055) 18.022 4.068 ( -0.809 -4.467 5.591) 7.202 4.202 ( -24.542 6.254 7.142) 26.314 4.387 ( -14.756 13.171 -2.959) 19.999 4.478 ( -10.548 2.410 -14.279) 17.915 5.268 ( 9.771 4.010 10.186) 14.674 5.737 ( -18.815 7.434 -5.011) 20.842 5.889 ( -2.678 -4.954 1.452) 5.815 6.375 ( -6.296 2.799 4.115) 8.025 6.550 ( -1.611 -6.317 -5.525) 8.545 6.937 ( 2.961 -11.644 -4.380) 12.788 7.348 ( 9.727 10.295 -2.998) 14.477 7.589 ( -3.808 -0.168 -3.315) 5.051 7.700 ( -5.519 -2.385 4.874) 7.739 8.092 ( -14.911 3.778 8.062) 17.367 8.318 ( -3.174 -6.784 -3.874) 8.432 8.562 ( 1.240 -5.727 -2.250) 6.277 8.642 ( 0.876 -3.048 -4.916) 5.851 8.942 ( -3.609 -4.782 -7.517) 9.612 9.018 ( 4.705 -3.130 1.362) 5.813 9.328 ( 7.320 -8.336 -0.114) 11.094 9.588 ( 5.695 2.685 -2.754) 6.872 9.873 ( -5.626 3.406 7.554) 10.015 10.163 ( 4.011 -4.773 4.221) 7.529 10.187 ( -3.587 -7.291 -0.730) 8.158 10.556 ( -1.530 -3.584 5.074) 6.398 10.623 ( -7.636 1.971 1.142) 7.969 10.706 ( -1.306 0.119 0.037) 1.312 10.938 ( -3.145 0.649 -0.179) 3.216 11.082 ( 0.215 -3.068 -2.732) 4.114 11.354 ( 1.104 -2.651 -1.852) 3.417 11.522 ( 0.551 0.758 -3.247) 3.380 11.683 ( 3.186 1.090 -1.976) 3.905 11.854 ( 9.475 2.052 -2.925) 10.126 11.980 ( -0.587 -1.897 -0.952) 2.202 12.069 ( -8.548 0.958 -3.787) 9.399 12.531 ( 4.250 1.246 6.236) 7.648 12.706 ( -10.597 -4.113 6.786) 13.238 12.912 ( 1.812 -2.831 -1.093) 3.535 12.985 ( -3.812 -2.001 -2.731) 5.098 13.333 ( 4.196 -0.647 12.613) 13.308 13.417 ( -1.606 1.481 -11.731) 11.932 13.844 ( 3.839 4.026 -4.186) 6.961 14.096 ( -6.643 4.898 6.147) 10.291 14.189 ( -0.537 -3.257 0.098) 3.303 14.496 ( 4.340 5.684 3.312) 7.881 14.587 ( 1.795 -4.172 0.343) 4.555 14.820 ( 2.407 0.375 -0.717) 2.539 14.968 ( 9.944 2.447 -1.435) 10.341 15.401 ( 0.686 -0.545 2.872) 3.003 15.522 ( 0.967 5.297 -2.464) 5.921 15.712 ( 1.469 1.069 9.462) 9.635 16.214 ( -4.219 0.469 -4.241) 6.000 16.640 ( 6.303 -7.827 -5.207) 11.318 17.120 ( 5.374 -16.377 2.334) 17.394 17.539 ( -2.477 3.147 -23.969) 24.302 18.101 ( -15.883 -1.457 10.229) 18.948 18.656 ( -4.493 4.268 2.418) 6.652 20.623 ( -12.424 -17.034 15.076) 25.920 21.692 ( 0.450 -3.572 -14.272) 14.719 22.281 ( 20.050 5.185 4.066) 21.105 23.554 ( -1.109 -0.821 2.051) 2.472 24.127 ( -1.567 3.968 -0.172) 4.270 24.535 ( 6.637 3.368 0.443) 7.456 ======================= Grid point 144 (55/204) ======================= q-point: (-0.27 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -21.532 28.082 -5.381) 35.794 2.150 ( -10.398 33.348 19.686) 40.097 2.992 ( -8.309 20.055 -2.694) 21.874 3.270 ( -38.459 22.057 -5.441) 44.668 4.072 ( -2.891 9.180 -10.542) 14.274 4.246 ( -7.728 -3.954 -17.191) 19.259 4.524 ( 7.762 -11.278 19.314) 23.674 5.172 ( -14.264 12.541 -12.105) 22.522 5.403 ( -10.742 4.080 12.175) 16.741 5.908 ( -3.182 -3.665 6.063) 7.767 6.390 ( 2.067 -4.916 7.147) 8.917 6.552 ( 1.267 -1.532 -8.954) 9.172 7.061 ( -2.887 -18.149 -8.668) 20.318 7.345 ( 1.886 13.342 3.663) 13.964 7.510 ( -1.299 4.119 -8.872) 9.867 7.635 ( 1.022 1.359 5.004) 5.285 7.922 ( -8.904 0.313 7.872) 11.889 8.282 ( -5.938 -5.987 -7.345) 11.183 8.618 ( -0.386 -1.847 2.887) 3.449 8.769 ( 6.997 -8.826 -3.288) 11.733 8.921 ( -0.355 -5.985 -9.481) 11.218 9.160 ( 9.550 -1.159 2.570) 9.958 9.501 ( 3.294 -8.687 2.442) 9.606 9.655 ( 6.388 2.395 -5.180) 8.566 9.767 ( -7.732 1.514 4.984) 9.323 10.143 ( -3.310 -1.314 4.234) 5.533 10.284 ( -6.338 -6.321 1.046) 9.012 10.456 ( -4.464 -0.796 -3.163) 5.528 10.607 ( -3.625 -4.192 4.292) 7.009 10.737 ( 5.282 -2.988 3.133) 6.829 10.921 ( 1.079 -1.659 -3.573) 4.084 11.092 ( -1.764 -3.833 -3.189) 5.289 11.385 ( 1.778 -1.793 -2.163) 3.325 11.535 ( 2.746 -0.477 -3.882) 4.779 11.715 ( 2.358 -0.994 -4.934) 5.558 11.878 ( -9.438 -3.069 -4.106) 10.741 11.972 ( 6.530 0.133 -1.827) 6.782 12.030 ( 2.610 1.580 1.042) 3.224 12.488 ( -19.301 -1.339 11.174) 22.342 12.592 ( 1.694 4.142 -0.756) 4.539 12.889 ( -1.313 1.834 -3.585) 4.236 12.982 ( 1.389 -1.045 4.766) 5.073 13.380 ( 1.007 1.026 -13.227) 13.305 13.482 ( 8.045 0.915 11.682) 14.214 13.755 ( -0.579 10.952 1.145) 11.027 14.060 ( 0.595 -0.583 4.555) 4.631 14.216 ( -1.822 -3.981 -0.557) 4.413 14.580 ( 2.676 -3.107 1.016) 4.225 14.653 ( 3.619 -1.947 1.736) 4.461 14.865 ( 4.566 1.041 -0.238) 4.689 15.119 ( 11.286 2.763 1.574) 11.725 15.396 ( -2.406 0.190 -2.155) 3.235 15.456 ( -0.526 6.533 -4.692) 8.061 15.714 ( -2.092 3.822 4.983) 6.619 16.086 ( -9.482 -1.570 -3.391) 10.191 16.719 ( 0.531 -4.018 -8.352) 9.284 17.377 ( 2.094 -6.774 -10.404) 12.590 17.428 ( 4.590 -6.095 -3.973) 8.603 17.947 ( -9.691 -3.621 6.862) 12.414 18.526 ( -7.774 3.430 2.255) 8.791 20.662 ( -18.077 -24.502 22.324) 37.756 21.654 ( -1.570 -0.638 -7.916) 8.095 22.602 ( 20.833 0.717 1.646) 20.911 23.549 ( -1.857 -0.932 2.009) 2.890 24.053 ( -1.577 5.343 -0.534) 5.596 24.615 ( 8.891 5.067 -1.173) 10.301 ======================= Grid point 145 (56/204) ======================= q-point: (-0.18 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -11.951 31.796 0.534) 33.972 1.645 ( -24.859 33.209 11.185) 42.964 2.219 ( -27.450 40.186 30.420) 57.392 2.879 ( -3.474 17.785 -5.820) 19.033 3.955 ( 1.415 -2.089 -26.521) 26.640 4.163 ( 3.275 0.001 -12.935) 13.343 4.609 ( -11.357 8.349 -4.564) 14.817 4.932 ( 2.743 -2.380 4.725) 5.959 5.234 ( -13.627 0.659 15.755) 20.841 5.912 ( 0.250 0.893 2.821) 2.969 6.454 ( -5.926 -7.347 -2.670) 9.810 6.601 ( 6.061 -1.752 -0.319) 6.317 7.133 ( -1.201 -13.726 -10.739) 17.469 7.241 ( -4.498 5.025 3.581) 7.636 7.489 ( 7.240 4.228 5.273) 9.905 7.712 ( 2.874 1.678 7.060) 7.805 7.830 ( 0.932 3.086 -1.742) 3.665 8.163 ( -9.733 -0.854 -7.177) 12.123 8.675 ( 2.091 -5.685 2.956) 6.741 8.859 ( 1.239 -1.804 -3.018) 3.728 9.019 ( 5.064 -7.630 -3.916) 9.959 9.359 ( 10.857 -1.087 3.146) 11.355 9.609 ( -4.521 -1.760 -4.078) 6.338 9.631 ( -4.067 -1.312 10.983) 11.785 9.707 ( 6.585 1.748 -6.160) 9.185 10.129 ( -2.297 5.803 2.636) 6.775 10.133 ( -10.433 -6.663 -0.016) 12.379 10.444 ( -3.197 -2.604 3.558) 5.446 10.639 ( 1.110 -8.194 -5.640) 10.009 10.889 ( 5.174 -1.116 0.892) 5.367 10.993 ( 6.686 -6.017 -3.004) 9.483 11.074 ( -1.412 -3.497 -6.708) 7.696 11.438 ( 3.830 -2.449 -5.169) 6.884 11.572 ( -0.802 -4.816 -2.271) 5.384 11.707 ( -4.725 -2.538 -0.451) 5.382 11.785 ( -1.159 0.330 -4.545) 4.702 12.017 ( -2.217 4.945 2.293) 5.884 12.049 ( 0.688 -0.067 2.449) 2.545 12.267 ( -8.248 -2.200 5.490) 10.149 12.577 ( 2.152 2.502 -0.039) 3.301 12.868 ( 0.783 4.073 -0.937) 4.252 13.071 ( 4.957 -0.315 8.958) 10.243 13.286 ( 2.189 5.793 -12.407) 13.866 13.617 ( 5.052 4.338 7.807) 10.261 13.732 ( 7.856 7.036 3.813) 11.214 14.101 ( 0.091 -0.264 0.034) 0.281 14.166 ( -12.754 -9.071 -1.445) 15.717 14.521 ( -10.194 1.824 -12.209) 16.009 14.775 ( 7.113 -1.856 -3.970) 8.355 14.954 ( 7.484 1.395 2.629) 8.054 15.115 ( -13.581 4.030 -14.325) 20.147 15.298 ( -3.575 7.425 -2.917) 8.742 15.369 ( 6.636 5.907 -0.844) 8.924 15.640 ( -2.201 2.071 0.954) 3.169 16.069 ( 2.293 -6.880 25.182) 26.205 16.736 ( 3.501 -2.433 -0.950) 4.368 17.318 ( 0.564 1.166 -11.299) 11.373 17.624 ( 4.636 -5.584 4.013) 8.293 17.956 ( 1.901 -6.802 3.423) 7.849 18.374 ( -9.371 0.662 2.486) 9.717 20.706 ( -27.371 -34.444 34.133) 55.683 21.604 ( -1.136 1.260 -2.718) 3.204 22.916 ( 15.771 -2.029 2.033) 16.030 23.524 ( -3.288 -0.757 1.673) 3.767 23.974 ( -0.869 5.737 -0.791) 5.856 24.688 ( 7.039 5.347 -10.060) 13.392 ======================= Grid point 146 (57/204) ======================= q-point: (-0.09 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -2.350 20.625 15.897) 26.146 0.986 ( -4.125 27.222 23.704) 36.331 1.868 ( 8.184 40.764 49.841) 64.906 2.630 ( -0.797 18.157 -4.509) 18.726 3.881 ( -1.953 -7.433 -35.330) 36.156 4.233 ( 10.134 -0.051 -9.158) 13.659 4.370 ( 0.481 6.282 -5.209) 8.175 5.005 ( -0.926 0.107 -4.448) 4.545 5.133 ( -4.311 0.734 18.008) 18.532 5.965 ( 3.771 -1.924 6.589) 7.832 6.411 ( -1.004 -3.884 -8.354) 9.267 6.700 ( 0.513 -5.587 -0.472) 5.630 7.010 ( -8.697 8.650 -6.007) 13.658 7.320 ( 5.331 -9.351 3.990) 11.480 7.634 ( -0.981 6.093 5.582) 8.321 7.764 ( 8.436 -11.301 8.729) 16.585 7.946 ( -8.829 3.288 7.443) 12.007 8.030 ( 19.995 -3.229 -6.861) 21.385 8.811 ( 3.710 -8.387 2.710) 9.563 8.926 ( 6.609 -4.607 -0.129) 8.057 9.143 ( 5.324 -3.802 -1.615) 6.739 9.417 ( -6.505 -3.746 -7.275) 10.453 9.513 ( -6.307 -3.375 9.905) 12.218 9.685 ( 5.321 0.785 1.124) 5.495 9.857 ( 12.419 2.514 0.332) 12.675 10.003 ( -3.812 4.048 -2.591) 6.135 10.084 ( -3.918 -1.777 1.436) 4.536 10.443 ( -2.476 -3.260 1.657) 4.416 10.702 ( -1.819 -8.092 -6.191) 10.350 10.887 ( -1.264 1.792 -4.581) 5.079 11.084 ( 11.023 6.927 -17.276) 21.632 11.216 ( 6.855 -12.318 -0.154) 14.098 11.489 ( -0.010 -3.961 -7.283) 8.290 11.552 ( -6.526 -6.256 0.885) 9.083 11.642 ( -5.652 -1.179 -0.364) 5.785 11.739 ( -2.992 1.897 5.684) 6.697 11.936 ( 0.880 3.873 0.533) 4.007 12.056 ( 0.371 3.171 7.510) 8.161 12.308 ( -0.706 -6.136 0.346) 6.186 12.602 ( 0.243 7.349 -6.297) 9.681 12.757 ( -5.091 0.444 6.969) 8.642 13.110 ( -3.986 -3.515 3.920) 6.604 13.368 ( 3.823 1.080 -6.141) 7.314 13.564 ( -10.449 13.853 -15.919) 23.548 13.745 ( -8.419 4.276 3.389) 10.032 13.855 ( 17.017 10.795 -1.621) 20.217 14.163 ( -0.089 1.178 3.115) 3.331 14.271 ( -0.364 8.448 0.177) 8.458 14.811 ( -5.678 -4.707 -3.530) 8.177 14.933 ( 2.215 -0.136 -2.863) 3.623 15.098 ( 9.453 6.767 -2.119) 11.817 15.138 ( -2.676 2.687 -2.752) 4.686 15.401 ( 0.785 3.817 2.861) 4.834 15.612 ( -1.851 -0.311 -0.062) 1.878 16.366 ( 3.339 -7.180 13.118) 15.322 16.957 ( 3.475 -8.603 -0.107) 9.279 17.527 ( 27.328 -13.879 5.506) 31.141 17.759 ( 5.185 -8.287 8.327) 12.841 18.234 ( 17.611 -8.973 -0.629) 19.775 18.252 ( 18.038 1.336 1.601) 18.158 20.759 ( -41.416 -53.522 56.129) 87.922 21.586 ( 1.375 1.734 1.868) 2.896 23.127 ( 3.061 -3.278 4.717) 6.508 23.469 ( -4.121 0.849 -0.071) 4.208 23.913 ( 0.446 4.917 -0.992) 5.036 24.458 ( -15.972 23.412 -27.857) 39.740 ======================= Grid point 149 (58/204) ======================= q-point: ( 0.18 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 18.509 0.000 28.994) 34.398 3.000 ( 34.253 0.000 14.821) 37.322 3.176 ( 11.707 0.000 -8.288) 14.344 3.599 ( 24.871 0.000 -1.352) 24.908 3.712 ( 16.351 0.000 -24.800) 29.705 4.242 ( -3.256 -0.000 -12.738) 13.148 4.781 ( -5.390 -0.000 -14.659) 15.619 5.225 ( 17.849 0.000 3.051) 18.108 5.596 ( -0.581 -0.000 6.416) 6.442 6.357 ( -8.634 -0.000 3.522) 9.324 6.515 ( 5.393 0.000 12.486) 13.600 6.524 ( 14.439 0.000 5.416) 15.421 7.205 ( -11.989 -0.000 0.327) 11.993 7.512 ( 5.156 0.000 17.674) 18.410 7.744 ( 3.093 0.000 -14.365) 14.694 7.748 ( -3.345 -0.000 -6.281) 7.116 8.100 ( 7.677 0.000 -7.097) 10.455 8.392 ( -2.954 -0.000 -12.824) 13.159 8.752 ( -10.701 -0.000 -3.310) 11.201 8.923 ( -5.119 -0.000 -10.250) 11.458 9.106 ( 1.133 0.000 15.119) 15.162 9.200 ( -1.166 -0.000 -10.210) 10.277 9.332 ( 0.616 0.000 12.379) 12.394 9.472 ( -3.476 -0.000 -5.214) 6.266 9.875 ( -2.692 -0.000 6.558) 7.089 10.099 ( 9.889 0.000 6.574) 11.875 10.246 ( 3.429 0.000 -5.663) 6.620 10.510 ( 5.821 0.000 2.248) 6.240 10.696 ( 3.298 0.000 -5.469) 6.387 10.824 ( -6.840 -0.000 8.355) 10.798 10.989 ( 5.431 0.000 -0.667) 5.472 11.149 ( -5.004 -0.000 0.760) 5.062 11.391 ( -0.767 -0.000 -6.250) 6.297 11.525 ( 1.112 0.000 -6.302) 6.399 11.596 ( -8.870 -0.000 -1.314) 8.967 11.759 ( 7.690 0.000 -3.467) 8.435 11.850 ( -5.815 -0.000 5.483) 7.993 11.930 ( -10.934 -0.000 12.051) 16.272 12.418 ( 9.141 0.000 -14.374) 17.035 12.773 ( -5.370 -0.000 8.484) 10.040 12.870 ( 5.276 0.000 -11.124) 12.312 13.233 ( 5.064 0.000 -9.329) 10.615 13.472 ( 1.485 0.000 -0.114) 1.489 13.501 ( -9.042 -0.000 13.600) 16.332 13.565 ( -10.265 -0.000 -5.451) 11.623 13.996 ( 7.164 0.000 7.398) 10.298 14.292 ( -9.478 -0.000 -1.168) 9.549 14.462 ( 22.300 0.000 19.802) 29.823 14.625 ( 1.747 0.000 -1.971) 2.634 14.737 ( 4.404 0.000 -2.792) 5.214 14.964 ( -6.209 -0.000 2.091) 6.551 15.228 ( -6.212 -0.000 -9.844) 11.640 15.239 ( -1.416 -0.000 6.385) 6.540 15.560 ( -1.563 -0.000 3.623) 3.946 16.321 ( -6.634 -0.000 -0.679) 6.668 16.529 ( -5.405 -0.000 -2.960) 6.162 17.179 ( -11.243 -0.000 -16.931) 20.324 18.091 ( 7.814 0.000 -8.026) 11.202 18.148 ( 7.175 0.000 -2.867) 7.726 19.229 ( -31.462 -0.000 40.724) 51.461 21.174 ( -20.332 -0.000 1.130) 20.363 21.807 ( 7.278 0.000 -33.897) 34.669 21.971 ( 5.133 0.000 5.002) 7.167 23.610 ( -0.814 -0.000 5.958) 6.013 23.933 ( 7.495 0.000 3.466) 8.257 24.033 ( 4.002 0.000 -0.772) 4.076 ======================= Grid point 150 (59/204) ======================= q-point: ( 0.27 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 16.659 19.828 19.044) 32.145 3.289 ( 16.843 2.461 2.032) 17.142 3.640 ( 18.973 2.760 -4.092) 19.605 3.776 ( 1.376 -1.605 -26.084) 26.170 3.845 ( 23.302 0.767 -3.077) 23.517 4.451 ( 13.411 -23.053 1.807) 26.731 4.691 ( 1.159 -0.142 0.979) 1.524 5.359 ( 0.849 3.077 -1.001) 3.345 5.569 ( -7.954 -3.279 4.067) 9.516 6.215 ( -10.808 -0.123 3.953) 11.509 6.631 ( 3.560 0.960 3.476) 5.067 6.734 ( 7.244 -1.651 0.318) 7.437 7.006 ( -7.076 7.447 3.082) 10.725 7.571 ( -8.192 -4.799 -6.211) 11.345 7.651 ( -0.266 4.862 -4.828) 6.857 7.761 ( 5.233 -3.753 8.783) 10.891 8.135 ( -0.671 3.280 -6.050) 6.915 8.404 ( 2.687 -4.136 -10.056) 11.201 8.623 ( -3.482 -1.433 -3.503) 5.143 8.781 ( -5.887 -0.001 -3.129) 6.667 9.070 ( -5.373 3.715 -5.296) 8.410 9.098 ( -3.945 2.092 -2.561) 5.148 9.381 ( 0.318 6.213 -0.559) 6.246 9.499 ( 4.204 -3.455 7.815) 9.523 9.862 ( -1.290 1.677 6.658) 6.986 10.234 ( 5.528 3.127 4.804) 7.963 10.337 ( 4.525 -5.478 -0.428) 7.118 10.477 ( -4.515 8.879 4.951) 11.124 10.704 ( 5.680 1.964 -4.680) 7.618 10.824 ( -8.104 -7.692 4.625) 12.092 11.007 ( -0.020 7.035 0.118) 7.036 11.134 ( 1.783 -2.905 3.171) 4.655 11.300 ( -3.670 -0.776 -10.044) 10.722 11.484 ( -1.515 2.411 -0.497) 2.891 11.540 ( 1.966 -1.800 -3.784) 4.629 11.754 ( -6.014 -2.468 4.159) 7.717 11.869 ( -1.173 1.649 11.614) 11.789 11.936 ( 7.502 -3.690 0.589) 8.381 12.482 ( 6.081 1.194 -10.617) 12.293 12.724 ( -4.859 -0.863 9.397) 10.614 12.868 ( 0.898 2.773 -11.404) 11.771 13.178 ( -7.559 -0.273 -5.401) 9.294 13.283 ( -7.855 7.430 -3.317) 11.309 13.522 ( 2.078 -3.998 1.762) 4.838 13.614 ( 3.129 -8.271 2.724) 9.253 14.120 ( 3.575 -0.186 5.132) 6.257 14.158 ( -7.072 -3.109 0.094) 7.726 14.638 ( 1.952 2.715 -0.791) 3.436 14.787 ( 2.387 0.653 6.661) 7.106 14.855 ( -3.175 -2.958 -3.991) 5.896 14.908 ( 15.274 1.405 15.322) 21.680 15.083 ( -5.736 -0.532 -7.866) 9.750 15.258 ( -0.526 -0.708 8.288) 8.335 15.543 ( -0.837 0.112 1.145) 1.423 16.200 ( -6.100 -0.150 -6.140) 8.657 16.443 ( -3.904 0.912 0.346) 4.024 16.949 ( -9.613 -1.203 -14.135) 17.137 18.110 ( 8.927 12.270 -9.999) 18.172 18.343 ( 9.186 -10.893 -5.625) 15.319 18.889 ( -30.584 -0.505 36.344) 47.503 20.844 ( -17.714 3.181 4.196) 18.480 21.761 ( 6.247 2.781 -35.636) 36.287 22.065 ( 3.688 2.541 12.057) 12.861 23.605 ( -0.841 1.138 2.037) 2.480 24.094 ( 6.670 -4.285 3.454) 8.648 24.102 ( 3.974 -1.872 -0.593) 4.433 ======================= Grid point 151 (60/204) ======================= q-point: ( 0.36 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( 13.594 25.069 10.456) 30.374 3.461 ( 0.357 3.367 -12.207) 12.668 3.601 ( 0.059 -3.947 -12.909) 13.499 3.768 ( 18.393 23.754 -4.747) 30.415 4.298 ( 15.494 -11.065 11.271) 22.125 4.789 ( 0.336 1.350 5.071) 5.258 4.858 ( 11.958 -13.332 2.445) 18.076 5.325 ( -1.791 -4.380 -1.002) 4.837 5.465 ( -9.144 -8.796 0.736) 12.709 6.037 ( -10.642 2.171 1.387) 10.949 6.531 ( -6.945 4.792 -11.950) 14.629 6.811 ( 1.146 -2.159 -0.127) 2.448 6.975 ( 5.522 6.599 9.083) 12.512 7.420 ( -15.725 -9.048 -10.321) 20.873 7.587 ( 0.811 5.291 -1.699) 5.616 7.857 ( -3.998 3.806 11.065) 12.366 8.095 ( 4.258 -3.187 -0.231) 5.323 8.388 ( -6.841 -4.460 -4.655) 9.400 8.576 ( -0.833 1.854 -0.888) 2.218 8.767 ( -0.239 -6.194 -5.754) 8.458 8.892 ( -9.091 0.093 -7.999) 12.110 8.996 ( -3.984 2.962 -5.003) 7.048 9.292 ( -1.748 8.622 -0.440) 8.808 9.621 ( 3.573 -4.697 4.620) 7.495 9.824 ( -1.255 6.038 0.989) 6.246 10.205 ( -5.927 5.382 6.158) 10.101 10.389 ( 2.446 4.577 5.570) 7.613 10.461 ( -1.006 -3.110 1.675) 3.673 10.663 ( -8.760 0.231 2.246) 9.046 10.779 ( 5.946 1.598 -7.761) 9.907 11.003 ( 2.228 1.163 3.701) 4.474 11.184 ( 1.540 1.910 4.595) 5.209 11.229 ( -8.037 -6.223 -5.012) 11.333 11.495 ( 4.973 0.921 -1.922) 5.411 11.574 ( 1.002 -1.744 -0.755) 2.148 11.767 ( 1.633 -5.204 0.489) 5.476 11.885 ( 3.284 6.353 10.319) 12.556 12.128 ( 9.884 -3.216 3.511) 10.971 12.496 ( 0.137 0.920 -5.782) 5.857 12.687 ( -4.014 2.664 -2.693) 5.520 12.772 ( -4.748 -1.657 4.540) 6.776 13.018 ( -11.221 -2.503 1.733) 11.626 13.167 ( 2.340 1.617 -10.649) 11.023 13.602 ( 2.297 -3.458 -2.865) 5.045 13.730 ( 2.993 -1.565 1.919) 3.885 14.081 ( -5.853 -5.539 0.503) 8.074 14.218 ( 2.449 -2.352 2.987) 4.522 14.603 ( -2.643 3.220 2.484) 4.850 14.738 ( -4.219 -2.799 -2.308) 5.564 14.783 ( -5.787 1.771 -5.091) 7.909 15.048 ( 5.612 4.300 -3.745) 8.001 15.177 ( 5.709 1.283 16.780) 17.771 15.346 ( 6.380 -3.739 9.925) 12.377 15.569 ( 3.260 -1.267 -0.391) 3.520 16.110 ( -1.575 -2.960 -9.571) 10.141 16.391 ( -1.910 2.015 3.739) 4.657 16.791 ( -7.309 -5.027 -10.245) 13.552 18.036 ( 0.906 9.918 -14.419) 17.525 18.529 ( -10.416 -4.520 15.386) 19.122 18.619 ( -4.497 -2.328 8.789) 10.143 20.598 ( -15.220 -1.668 7.895) 17.227 21.688 ( 7.558 4.467 -32.765) 33.921 22.141 ( 4.070 5.286 14.273) 15.755 23.586 ( -0.308 1.572 0.240) 1.620 24.164 ( 2.333 -1.392 0.211) 2.725 24.263 ( 6.308 -5.086 1.758) 8.291 ======================= Grid point 152 (61/204) ======================= q-point: (-0.55 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 8.066 26.889 6.938) 28.917 3.247 ( -13.840 -6.581 -24.725) 29.089 3.547 ( -1.126 14.088 0.947) 14.164 3.858 ( 19.277 21.415 5.798) 29.391 4.566 ( -7.581 0.098 6.587) 10.043 4.693 ( 3.371 -1.630 8.511) 9.298 4.967 ( -10.930 1.820 -6.631) 12.913 5.392 ( 3.927 -16.007 4.711) 17.142 5.474 ( -0.628 9.856 1.982) 10.073 5.982 ( 2.007 -9.841 -2.809) 10.429 6.322 ( -10.356 -2.191 -11.227) 15.430 6.818 ( -1.838 3.600 4.098) 5.756 6.884 ( -11.425 7.811 -6.631) 15.347 7.326 ( 1.207 -9.404 -0.699) 9.507 7.539 ( 0.851 6.376 0.399) 6.445 7.760 ( -8.008 0.819 8.216) 11.502 8.191 ( -0.426 -3.071 -0.724) 3.184 8.320 ( -4.398 -3.424 3.770) 6.729 8.531 ( -6.045 -3.530 -1.210) 7.104 8.684 ( -9.090 1.456 -6.725) 11.401 8.827 ( -1.118 -9.096 -4.695) 10.297 8.898 ( -2.789 -1.209 -9.709) 10.174 9.186 ( 0.384 7.222 0.689) 7.265 9.729 ( 0.230 8.014 1.408) 8.140 9.766 ( 3.850 -8.197 -1.064) 9.119 10.109 ( -2.660 5.191 5.618) 8.098 10.265 ( -9.511 4.617 2.519) 10.868 10.482 ( -1.812 -3.117 2.725) 4.520 10.626 ( -3.067 -3.640 2.051) 5.183 10.817 ( 4.701 4.169 -3.866) 7.377 11.032 ( 0.795 1.026 1.892) 2.294 11.098 ( -10.448 -0.841 2.014) 10.674 11.227 ( 2.404 -2.589 -0.821) 3.627 11.538 ( 0.561 -0.901 -3.815) 3.959 11.633 ( 6.513 0.165 -3.347) 7.325 11.841 ( 1.218 -2.439 2.035) 3.402 11.944 ( 6.243 5.836 4.299) 9.567 12.280 ( -2.233 1.169 0.477) 2.565 12.402 ( -0.147 -0.414 3.904) 3.928 12.636 ( 0.306 -1.893 -2.147) 2.879 12.782 ( -2.709 -4.840 5.566) 7.858 12.932 ( -4.509 -3.980 3.977) 7.210 13.198 ( 5.652 -0.523 -6.326) 8.499 13.591 ( -4.477 -0.983 -8.097) 9.305 13.785 ( 5.183 1.863 1.321) 5.664 14.058 ( -4.798 -5.870 1.378) 7.706 14.266 ( -2.012 -2.759 4.036) 5.287 14.533 ( -4.988 1.471 3.597) 6.323 14.654 ( -2.238 1.228 -7.820) 8.226 14.748 ( 2.118 -1.479 -0.242) 2.594 15.034 ( 3.694 8.772 -1.242) 9.599 15.303 ( 4.316 -1.814 5.791) 7.446 15.532 ( 5.715 -1.878 7.796) 9.847 15.641 ( 4.272 0.546 2.731) 5.100 16.174 ( 6.294 -9.478 -7.135) 13.430 16.363 ( -0.789 2.980 4.099) 5.129 16.740 ( -3.276 -8.717 -5.004) 10.571 17.825 ( -10.794 3.766 -12.252) 16.757 18.322 ( -15.163 2.349 12.930) 20.065 18.735 ( 4.750 -0.672 -0.988) 4.898 20.450 ( -12.877 -5.861 11.029) 17.939 21.659 ( 8.830 2.276 -29.259) 30.647 22.227 ( 7.067 6.336 14.617) 17.428 23.570 ( 0.169 1.529 -0.030) 1.538 24.199 ( 1.159 0.460 0.323) 1.288 24.409 ( 5.578 -4.153 0.771) 6.997 ======================= Grid point 153 (62/204) ======================= q-point: (-0.45 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -5.507 28.777 -1.592) 29.343 2.994 ( -9.196 2.650 -14.803) 17.627 3.339 ( -3.856 16.910 4.473) 17.912 4.018 ( 13.689 8.225 9.869) 18.774 4.319 ( -15.452 2.342 -3.748) 16.072 4.636 ( -17.602 11.980 -8.980) 23.109 4.704 ( -7.670 12.349 7.364) 16.296 5.371 ( 5.233 4.578 9.921) 12.115 5.646 ( 1.826 -7.588 3.549) 8.574 5.945 ( -10.600 3.658 -8.719) 14.204 6.304 ( -0.727 -14.729 -3.373) 15.128 6.513 ( -11.015 8.860 -0.485) 14.144 6.796 ( -4.622 -3.247 -3.462) 6.626 7.492 ( 10.447 0.406 -8.618) 13.549 7.532 ( 2.521 0.725 7.175) 7.640 7.676 ( -5.734 -1.373 7.381) 9.447 8.170 ( -13.555 -2.097 7.916) 15.837 8.217 ( -3.999 1.797 -3.531) 5.629 8.447 ( -5.056 -6.056 -5.633) 9.694 8.572 ( -3.895 -4.280 -3.809) 6.928 8.850 ( -1.590 -3.552 -8.710) 9.540 8.923 ( 3.951 -7.442 1.372) 8.536 9.212 ( 5.519 -1.633 -0.556) 5.782 9.678 ( 3.664 5.914 -2.647) 7.444 9.906 ( 0.347 -7.146 2.547) 7.594 10.017 ( -4.336 3.249 -0.133) 5.420 10.145 ( -4.968 -2.441 5.584) 7.863 10.471 ( -5.234 -4.393 0.943) 6.898 10.594 ( -5.877 -2.145 4.173) 7.520 10.809 ( 2.223 6.615 -0.495) 6.996 10.959 ( -6.995 0.391 2.483) 7.433 11.036 ( -0.003 -1.207 -3.529) 3.729 11.291 ( 1.807 -3.337 -0.862) 3.891 11.528 ( 0.676 0.050 -5.668) 5.708 11.695 ( 3.547 0.461 -7.714) 8.503 11.888 ( 2.799 -0.478 -0.446) 2.874 11.935 ( -5.445 -0.241 -0.285) 5.457 12.143 ( -1.583 5.812 0.437) 6.039 12.516 ( -1.672 -4.490 9.516) 10.654 12.631 ( -2.709 -1.380 3.924) 4.964 12.852 ( 4.256 -3.427 -0.824) 5.526 12.938 ( -1.982 -2.934 2.476) 4.320 13.290 ( 5.352 -1.744 0.055) 5.629 13.479 ( -2.141 2.598 -3.615) 4.940 13.872 ( 5.941 0.266 -0.999) 6.030 14.060 ( -3.186 -5.927 1.772) 6.958 14.193 ( -9.552 2.060 5.330) 11.130 14.498 ( -1.362 -4.173 -0.911) 4.483 14.613 ( 3.052 4.003 -1.840) 5.359 14.808 ( 3.199 -1.520 -2.187) 4.162 15.053 ( 8.802 5.824 -0.282) 10.558 15.369 ( 0.381 -1.890 -1.280) 2.314 15.616 ( 4.527 3.087 0.693) 5.523 15.719 ( 1.731 0.388 10.522) 10.670 16.270 ( -1.150 3.583 -2.314) 4.417 16.440 ( 7.523 -10.718 -4.167) 13.742 16.826 ( 2.239 -12.663 1.391) 12.935 17.567 ( -12.328 -0.688 -8.820) 15.174 18.109 ( -12.373 2.908 2.312) 12.919 18.738 ( -2.441 3.427 0.639) 4.256 20.381 ( -11.047 -7.902 13.801) 19.363 21.667 ( 6.757 0.496 -23.530) 24.486 22.381 ( 11.860 4.188 12.299) 17.592 23.561 ( 0.451 1.420 0.308) 1.521 24.194 ( 0.186 2.780 0.180) 2.792 24.531 ( 5.239 -2.832 -0.090) 5.956 ======================= Grid point 154 (63/204) ======================= q-point: (-0.36 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -12.631 32.798 -4.782) 35.470 2.747 ( -6.024 20.307 1.854) 21.263 3.180 ( -0.996 6.575 -6.562) 9.343 3.774 ( -31.568 23.000 -2.812) 39.159 4.160 ( -7.051 1.077 -9.357) 11.765 4.294 ( 2.097 11.058 4.467) 12.109 4.530 ( 3.037 10.701 12.057) 16.404 5.400 ( -6.921 8.965 0.673) 11.346 5.522 ( -12.698 5.673 -0.827) 13.932 5.806 ( -1.953 -4.317 4.675) 6.656 6.296 ( -4.992 -4.923 6.409) 9.499 6.521 ( 6.708 -2.181 -6.117) 9.337 6.748 ( -5.873 -10.847 -7.065) 14.215 7.537 ( 2.610 4.282 2.379) 5.550 7.576 ( -6.434 3.872 -2.135) 7.807 7.674 ( 9.004 2.122 -2.362) 9.547 7.930 ( -12.026 0.306 8.375) 14.658 8.195 ( -2.799 -2.336 -1.605) 3.983 8.506 ( 0.572 -9.030 -0.719) 9.077 8.571 ( 0.263 -10.543 -4.541) 11.482 8.835 ( -0.447 -2.975 -7.238) 7.838 9.112 ( 10.277 -4.436 4.624) 12.111 9.333 ( 3.253 -6.729 1.328) 7.591 9.707 ( 6.393 2.745 -5.182) 8.675 9.826 ( -7.706 4.407 3.458) 9.527 10.004 ( -6.745 -11.251 -3.065) 13.471 10.182 ( 0.537 -3.759 8.203) 9.040 10.393 ( -8.560 -4.964 -3.788) 10.595 10.552 ( -4.515 -2.061 5.955) 7.752 10.773 ( 2.245 6.161 2.202) 6.918 10.898 ( -1.424 -1.258 -1.593) 2.479 11.030 ( -0.488 -2.003 -5.108) 5.508 11.341 ( 1.734 -2.776 -2.196) 3.941 11.511 ( -1.217 -1.725 -6.038) 6.396 11.688 ( 0.526 -0.966 -6.940) 7.026 11.836 ( -4.510 -1.853 -6.287) 7.956 11.942 ( 2.976 -1.937 -1.443) 3.832 12.131 ( 4.542 7.111 5.136) 9.878 12.413 ( -18.748 -5.908 7.787) 21.143 12.644 ( 0.409 1.699 0.048) 1.748 12.916 ( 3.345 0.433 -3.625) 4.951 12.974 ( 2.298 -0.283 8.360) 8.674 13.357 ( 2.358 -1.584 -9.484) 9.900 13.517 ( 6.968 1.568 11.962) 13.933 13.922 ( 1.533 3.605 -2.182) 4.484 14.023 ( -7.721 -2.404 4.213) 9.118 14.097 ( -3.172 -3.954 1.867) 5.402 14.515 ( -2.977 -5.356 0.054) 6.128 14.668 ( 8.222 2.648 -1.683) 8.800 14.862 ( 3.077 -1.459 -1.360) 3.667 15.180 ( 11.191 3.460 1.027) 11.759 15.361 ( -1.226 -1.665 -5.164) 5.563 15.625 ( 3.347 8.145 -1.363) 8.910 15.757 ( -2.142 0.567 10.515) 10.745 16.145 ( -6.257 6.458 -1.752) 9.161 16.583 ( 0.681 -8.579 -8.248) 11.921 17.077 ( 8.129 -17.162 2.345) 19.134 17.414 ( -3.899 -1.135 -5.029) 6.463 17.903 ( -10.927 0.158 0.876) 10.963 18.611 ( -8.049 4.543 0.715) 9.271 20.350 ( -11.361 -8.469 17.523) 22.536 21.662 ( 3.847 0.926 -16.628) 17.092 22.614 ( 13.682 0.107 8.971) 16.361 23.555 ( 0.196 1.501 0.599) 1.628 24.155 ( -0.286 4.812 -0.020) 4.821 24.633 ( 4.970 -2.083 -1.763) 5.670 ======================= Grid point 155 (64/204) ======================= q-point: (-0.27 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -5.282 36.362 -2.232) 36.811 2.327 ( -18.176 33.748 1.045) 38.346 2.996 ( -17.134 24.503 -0.808) 29.910 3.125 ( 0.667 18.363 4.483) 18.914 3.965 ( -4.810 1.362 -23.728) 24.249 4.245 ( 4.820 10.102 1.738) 11.327 4.643 ( 0.455 0.081 11.865) 11.874 5.114 ( -3.718 15.659 -0.710) 16.110 5.276 ( -12.825 3.972 9.167) 16.257 5.875 ( -0.578 -4.554 3.267) 5.634 6.310 ( -4.179 -6.360 2.059) 7.884 6.598 ( 4.808 0.450 -6.507) 8.103 6.799 ( 0.036 -16.555 -5.967) 17.597 7.341 ( -9.865 5.379 0.553) 11.249 7.560 ( 1.423 1.161 0.211) 1.848 7.769 ( -1.096 3.732 4.697) 6.099 7.875 ( 8.118 1.675 -3.490) 8.994 8.154 ( -3.217 0.707 -1.138) 3.485 8.529 ( -4.371 -8.980 1.454) 10.092 8.795 ( 7.617 -13.861 -0.122) 15.816 8.835 ( 0.698 -1.874 -3.787) 4.283 9.329 ( 8.091 -1.464 2.625) 8.631 9.484 ( 5.476 -8.836 5.392) 11.711 9.660 ( -8.969 2.303 0.869) 9.301 9.759 ( 5.572 2.542 -6.419) 8.872 9.968 ( -8.728 -9.418 -1.027) 12.881 10.197 ( -3.360 1.301 5.850) 6.870 10.371 ( -0.198 -7.426 -4.177) 8.523 10.504 ( -6.097 -2.797 4.828) 8.265 10.831 ( 6.122 -1.911 1.735) 6.644 10.906 ( -0.430 -3.252 -4.325) 5.428 11.025 ( 1.758 -2.084 -6.552) 7.096 11.382 ( 1.161 -3.369 -6.056) 7.026 11.484 ( -0.799 -3.132 -6.557) 7.311 11.693 ( 0.418 -0.178 0.074) 0.461 11.791 ( 0.118 -0.275 -7.326) 7.333 12.010 ( 2.682 -2.949 -0.435) 4.010 12.125 ( -2.992 3.281 0.015) 4.441 12.208 ( -11.089 -1.109 12.283) 16.585 12.617 ( 0.284 1.318 -0.350) 1.393 12.921 ( 0.390 1.441 -6.920) 7.079 13.075 ( 3.118 0.252 10.547) 11.001 13.332 ( 0.632 0.771 -8.605) 8.663 13.686 ( 7.597 2.810 10.620) 13.357 13.885 ( 3.214 5.939 2.508) 7.204 13.950 ( -12.189 -9.784 -0.626) 15.643 14.097 ( 0.153 -0.177 1.679) 1.696 14.501 ( -5.293 -5.210 0.328) 7.434 14.775 ( 9.028 1.693 -7.938) 12.140 14.930 ( 1.897 -3.208 0.676) 3.787 15.213 ( -3.282 5.263 -9.015) 10.943 15.395 ( 8.012 3.052 -0.100) 8.574 15.556 ( 0.965 10.587 -1.250) 10.704 15.701 ( -5.972 3.315 2.419) 7.246 16.025 ( -1.046 2.306 15.464) 15.670 16.619 ( -1.003 -7.920 -3.989) 8.924 17.313 ( 1.410 -4.692 -9.538) 10.723 17.439 ( 5.463 -10.770 1.033) 12.121 17.822 ( -1.981 -4.289 6.648) 8.156 18.425 ( -9.206 3.905 0.780) 10.030 20.315 ( -14.394 -8.783 22.911) 28.447 21.641 ( 2.609 1.942 -10.583) 11.072 22.863 ( 10.280 -3.427 7.313) 13.073 23.537 ( -0.711 1.876 0.477) 2.063 24.095 ( -0.214 6.177 -0.055) 6.181 24.706 ( 2.829 -1.983 -6.113) 7.022 ======================= Grid point 156 (65/204) ======================= q-point: (-0.18 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 3.709 40.152 -8.590) 41.228 1.610 ( -13.908 34.987 9.803) 38.905 2.675 ( 7.300 36.862 29.390) 47.706 3.006 ( 4.447 17.830 -6.139) 19.374 3.794 ( -2.280 0.466 -33.148) 33.230 4.282 ( 9.092 5.369 -1.584) 10.677 4.506 ( -8.878 6.014 0.545) 10.737 5.074 ( 5.559 8.184 4.612) 10.915 5.162 ( -3.026 2.382 15.024) 15.509 5.902 ( -1.703 -4.565 1.707) 5.162 6.306 ( -2.077 -5.978 -3.543) 7.253 6.610 ( -0.196 -3.665 -9.328) 10.024 7.029 ( 7.353 -14.177 2.266) 16.130 7.212 ( -1.548 5.472 1.066) 5.786 7.553 ( -1.990 -6.343 0.422) 6.661 7.711 ( -3.296 1.469 6.018) 7.016 8.034 ( 14.812 2.287 -9.364) 17.672 8.040 ( -6.348 5.784 2.960) 9.083 8.610 ( 0.138 -11.510 4.493) 12.357 8.867 ( 1.657 -3.030 0.435) 3.481 9.023 ( 6.096 -8.200 1.349) 10.306 9.362 ( -7.714 -2.804 -4.499) 9.360 9.474 ( -7.668 -0.702 3.982) 8.669 9.670 ( 4.105 -2.332 -1.351) 4.911 9.898 ( 8.883 -0.005 1.693) 9.043 9.932 ( 1.361 -5.945 2.521) 6.599 10.146 ( -1.989 4.249 -2.964) 5.549 10.380 ( -3.405 -2.829 4.301) 6.173 10.523 ( -2.085 -9.357 -1.426) 9.692 10.868 ( -5.384 -4.530 -5.011) 8.638 10.968 ( 3.458 -8.720 -1.164) 9.452 11.128 ( 10.548 -1.923 -8.402) 13.622 11.386 ( -0.908 -3.723 -7.226) 8.179 11.510 ( 5.055 -0.516 -9.180) 10.493 11.634 ( -8.085 -0.270 -0.312) 8.096 11.779 ( 1.370 1.576 4.296) 4.777 12.027 ( -0.199 3.021 -1.092) 3.219 12.114 ( 2.666 1.368 0.710) 3.080 12.167 ( -2.921 -5.277 8.913) 10.761 12.675 ( 7.457 0.527 4.192) 8.571 12.797 ( -10.021 2.859 -9.763) 14.280 13.067 ( -6.311 -1.095 3.803) 7.449 13.357 ( 0.771 -1.124 -1.304) 1.887 13.650 ( -7.120 1.226 -8.244) 10.961 13.821 ( -3.378 2.591 8.077) 9.130 14.033 ( 11.060 5.361 2.609) 12.565 14.143 ( 4.290 -2.083 4.510) 6.564 14.451 ( -2.667 1.668 -3.220) 4.501 14.781 ( -4.544 3.492 -11.013) 12.415 14.930 ( 0.965 -0.624 -2.519) 2.769 15.128 ( 5.519 2.752 -2.403) 6.619 15.355 ( -0.648 13.137 -4.154) 13.793 15.493 ( -1.203 5.236 1.664) 5.624 15.605 ( -3.040 -0.185 0.700) 3.125 16.228 ( 8.108 -5.574 22.846) 24.874 16.736 ( 4.351 -11.718 3.002) 12.855 17.318 ( 4.874 -5.998 -4.619) 9.004 17.634 ( 1.173 -10.902 -0.036) 10.965 17.994 ( 11.396 -9.717 7.248) 16.638 18.303 ( 1.983 3.160 0.974) 3.856 20.240 ( -20.039 -9.069 30.627) 37.707 21.630 ( 2.939 2.274 -5.210) 6.399 23.041 ( 1.387 -5.243 7.490) 9.247 23.500 ( -0.970 2.386 -0.222) 2.585 24.032 ( 0.383 6.597 0.098) 6.609 24.661 ( -5.132 2.465 -14.362) 15.449 ======================= Grid point 157 (66/204) ======================= q-point: (-0.09 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 12.933 19.606 5.995) 24.241 1.564 ( 23.039 23.712 19.154) 38.209 2.669 ( 17.832 30.707 20.826) 41.166 2.929 ( 17.114 27.670 6.608) 33.199 3.602 ( -4.724 -5.718 -34.484) 35.273 4.365 ( 2.310 4.610 6.502) 8.298 4.467 ( 13.063 -0.692 -11.119) 17.169 5.005 ( -2.541 9.987 -5.604) 11.731 5.268 ( 9.871 2.124 14.435) 17.616 5.950 ( -1.618 -8.116 5.253) 9.802 6.361 ( 2.721 -6.539 -4.129) 8.198 6.591 ( -2.175 -2.145 -11.210) 11.618 7.067 ( 0.092 10.414 3.879) 11.113 7.300 ( 5.436 -9.437 2.539) 11.182 7.677 ( -2.133 -1.169 2.135) 3.236 7.720 ( 3.684 -9.204 1.128) 9.978 7.887 ( -5.335 0.511 5.172) 7.448 8.257 ( 14.074 -4.172 -1.785) 14.787 8.758 ( 0.922 -12.026 2.322) 12.283 8.962 ( 3.524 -4.925 5.784) 8.374 9.108 ( -6.091 -4.820 -5.614) 9.584 9.264 ( -0.087 -5.635 -3.567) 6.670 9.406 ( -7.014 -2.450 5.397) 9.182 9.738 ( 2.864 -1.812 -3.157) 4.632 9.882 ( -3.897 -0.893 4.413) 5.955 9.982 ( -6.570 3.949 -9.150) 11.936 10.186 ( 12.362 4.372 2.900) 13.429 10.398 ( -0.095 -2.078 2.782) 3.474 10.521 ( -6.399 -7.553 -5.428) 11.290 10.843 ( -0.699 -4.455 -2.176) 5.007 11.091 ( -3.566 -14.323 -1.438) 14.831 11.196 ( 0.895 2.287 -8.728) 9.067 11.377 ( 0.198 -1.987 -4.568) 4.986 11.551 ( 2.197 1.020 -4.859) 5.429 11.602 ( 5.904 -0.772 -7.121) 9.283 11.780 ( -0.172 3.722 4.875) 6.136 11.963 ( -1.929 2.769 3.088) 4.575 12.100 ( -2.886 4.085 3.403) 6.049 12.229 ( 0.602 -2.617 -1.072) 2.891 12.649 ( 2.616 -1.376 2.898) 4.140 12.850 ( 9.115 0.667 7.143) 11.600 12.971 ( -7.063 -2.306 -2.660) 7.891 13.317 ( -0.205 0.178 -0.210) 0.343 13.586 ( 0.810 1.075 -2.051) 2.453 13.739 ( -4.872 7.254 4.589) 9.870 14.071 ( 1.084 3.707 -2.701) 4.713 14.220 ( 0.611 6.866 -5.370) 8.738 14.391 ( 3.716 5.845 6.894) 9.772 14.663 ( -4.227 -4.187 -3.932) 7.132 14.951 ( -0.929 1.258 -1.238) 1.995 15.129 ( -1.284 6.677 -4.759) 8.299 15.293 ( 8.888 3.077 -4.989) 10.647 15.399 ( -5.923 1.221 3.489) 6.982 15.574 ( -2.156 0.695 0.151) 2.270 16.393 ( 0.463 -2.650 7.860) 8.308 16.836 ( -4.125 -6.022 -5.250) 8.992 17.582 ( 1.764 -18.345 -3.707) 18.798 17.700 ( -1.575 -7.894 2.877) 8.548 18.162 ( 0.529 0.467 3.297) 3.372 18.981 ( 61.201 -39.303 -3.147) 72.803 20.100 ( -28.485 -10.967 43.691) 53.297 21.655 ( 4.032 1.316 -0.174) 4.245 23.001 ( -15.564 -0.218 5.127) 16.388 23.487 ( 2.191 1.104 0.256) 2.466 23.983 ( 1.397 6.073 -0.043) 6.232 24.345 ( -10.785 18.556 -17.076) 27.426 ======================= Grid point 161 (67/204) ======================= q-point: ( 0.27 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( 11.411 0.000 3.926) 12.067 3.498 ( -13.655 -0.000 -37.472) 39.882 3.554 ( 16.022 0.000 10.713) 19.274 3.972 ( 18.788 0.000 9.981) 21.275 4.267 ( 26.098 0.000 -11.929) 28.695 4.598 ( 14.159 0.000 12.204) 18.693 4.802 ( 5.557 0.000 9.226) 10.770 5.279 ( -10.015 -0.000 -2.605) 10.348 5.379 ( -10.866 -0.000 3.601) 11.447 6.057 ( -11.048 -0.000 3.306) 11.532 6.666 ( -1.308 -0.000 -2.596) 2.907 6.712 ( -4.356 -0.000 -10.989) 11.821 7.071 ( 5.488 0.000 9.951) 11.364 7.301 ( -13.502 -0.000 -7.427) 15.410 7.629 ( -1.599 -0.000 -4.672) 4.938 7.903 ( 4.099 0.000 17.347) 17.825 8.089 ( -5.550 -0.000 -4.908) 7.408 8.320 ( -4.972 -0.000 -8.754) 10.068 8.598 ( 1.433 0.000 -2.431) 2.822 8.689 ( -4.819 -0.000 -1.074) 4.937 8.900 ( -9.838 -0.000 -11.195) 14.903 9.028 ( -5.554 -0.000 -5.605) 7.891 9.412 ( 0.357 0.000 -4.464) 4.479 9.547 ( 0.639 0.000 6.753) 6.783 9.901 ( 0.143 0.000 6.284) 6.286 10.252 ( -9.145 -0.000 0.972) 9.197 10.382 ( 3.980 0.000 3.587) 5.358 10.490 ( 0.198 0.000 4.710) 4.714 10.675 ( -8.721 -0.000 6.448) 10.845 10.795 ( 6.952 0.000 -9.615) 11.865 11.036 ( 0.005 0.000 5.228) 5.228 11.096 ( -6.530 -0.000 -7.426) 9.889 11.235 ( 0.395 0.000 6.174) 6.187 11.516 ( 2.788 0.000 -2.228) 3.569 11.552 ( 3.424 0.000 -1.343) 3.678 11.702 ( 0.541 0.000 0.922) 1.069 11.958 ( 5.749 0.000 10.396) 11.880 12.091 ( 9.488 0.000 5.844) 11.143 12.505 ( 1.581 0.000 -9.248) 9.382 12.697 ( -3.689 -0.000 11.836) 12.398 12.774 ( -8.960 -0.000 -9.488) 13.050 12.991 ( -11.319 -0.000 0.560) 11.333 13.194 ( 0.203 0.000 -16.252) 16.253 13.566 ( 2.018 0.000 4.748) 5.159 13.697 ( 7.124 0.000 4.737) 8.555 14.025 ( -4.841 -0.000 -2.713) 5.549 14.191 ( 1.408 0.000 2.651) 3.002 14.653 ( -9.880 -0.000 1.525) 9.997 14.690 ( 3.486 0.000 -2.999) 4.598 14.798 ( -7.233 -0.000 -4.479) 8.507 15.073 ( 7.897 0.000 -0.502) 7.913 15.256 ( 13.992 0.000 18.572) 23.252 15.265 ( -2.500 -0.000 8.178) 8.551 15.553 ( 2.620 0.000 -0.814) 2.743 16.082 ( -3.386 -0.000 -10.943) 11.455 16.415 ( -1.124 -0.000 4.262) 4.408 16.737 ( -8.326 -0.000 -13.095) 15.518 18.155 ( -10.056 -0.000 -6.824) 12.153 18.468 ( 16.079 0.000 -3.660) 16.490 18.592 ( -19.852 -0.000 22.570) 30.058 20.579 ( -18.130 -0.000 9.041) 20.259 21.744 ( 7.898 0.000 -37.582) 38.403 22.195 ( 3.178 0.000 17.180) 17.472 23.605 ( -0.194 -0.000 -0.278) 0.339 24.149 ( 3.675 0.000 -0.510) 3.710 24.202 ( 6.794 0.000 3.357) 7.578 ======================= Grid point 162 (68/204) ======================= q-point: (-0.64 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -16.344 -3.998 -33.295) 37.305 3.438 ( 8.109 13.267 -7.235) 17.149 3.808 ( 11.271 11.886 18.037) 24.364 4.257 ( 14.692 7.875 6.203) 17.786 4.551 ( 12.895 5.633 5.345) 15.052 4.661 ( -16.690 -0.475 5.872) 17.699 4.929 ( 4.572 -8.363 -0.224) 9.533 5.130 ( -4.934 -7.249 2.566) 9.137 5.469 ( 12.962 -5.212 5.976) 15.195 5.888 ( -9.076 -0.627 -0.909) 9.143 6.436 ( -9.060 11.718 -12.248) 19.220 6.690 ( -6.784 -12.057 -9.050) 16.532 7.056 ( -11.388 5.719 2.308) 12.951 7.248 ( 9.498 -0.500 5.879) 11.181 7.585 ( -2.645 -0.801 1.537) 3.163 7.867 ( -7.056 10.208 3.311) 12.844 8.094 ( 0.384 -9.863 7.720) 12.531 8.201 ( -8.615 -2.939 -2.174) 9.359 8.534 ( -8.156 2.498 -3.729) 9.309 8.630 ( -5.067 -6.994 -8.033) 11.795 8.744 ( -2.231 1.145 -7.507) 7.915 8.889 ( -6.284 -0.225 -10.357) 12.117 9.343 ( -2.221 6.842 -0.781) 7.236 9.619 ( 2.209 -5.826 1.529) 6.415 9.882 ( -1.258 6.097 3.903) 7.347 10.106 ( -8.032 -3.097 0.853) 8.650 10.412 ( -6.889 1.728 5.022) 8.699 10.462 ( -1.517 6.428 2.479) 7.054 10.570 ( -3.481 -2.062 2.518) 4.765 10.872 ( 7.400 0.927 -7.465) 10.552 10.968 ( -10.242 -7.193 -5.936) 13.852 11.068 ( -0.151 1.543 8.790) 8.926 11.246 ( -1.150 1.509 6.954) 7.208 11.545 ( 2.883 1.264 -4.560) 5.541 11.632 ( 7.548 -0.261 -7.086) 10.357 11.768 ( 3.429 -2.970 3.173) 5.536 12.078 ( 5.303 5.917 6.621) 10.343 12.243 ( 1.484 -4.238 7.344) 8.608 12.427 ( -7.058 2.300 -2.679) 7.892 12.629 ( 0.513 0.512 -4.927) 4.980 12.693 ( -3.939 -3.407 8.057) 9.594 12.871 ( -5.098 -1.754 4.656) 7.123 13.193 ( 6.988 -0.123 -15.401) 16.913 13.567 ( -4.083 -0.620 1.722) 4.475 13.825 ( 6.017 0.909 4.445) 7.535 13.972 ( -2.263 -1.933 -1.790) 3.473 14.196 ( -1.775 -2.979 -1.601) 3.819 14.544 ( -9.846 -0.140 10.737) 14.569 14.658 ( -2.186 -0.039 -9.644) 9.889 14.738 ( 3.625 0.021 -3.247) 4.867 15.185 ( 4.313 5.797 -0.989) 7.293 15.267 ( 2.577 -2.171 4.263) 5.434 15.504 ( 7.126 -0.721 15.431) 17.012 15.625 ( 5.428 -1.354 -0.040) 5.594 16.044 ( 3.777 -3.185 -9.735) 10.917 16.432 ( 1.174 3.176 5.948) 6.845 16.601 ( -4.690 -4.917 -9.262) 11.487 17.857 ( -22.122 0.282 1.723) 22.191 18.401 ( -9.576 3.779 2.501) 10.594 18.700 ( 9.826 -2.024 -0.560) 10.048 20.375 ( -13.009 -1.860 10.283) 16.686 21.711 ( 7.929 1.930 -33.521) 34.500 22.311 ( 3.778 2.171 18.780) 19.279 23.600 ( 0.734 1.090 -1.310) 1.855 24.205 ( 3.409 0.358 -0.198) 3.434 24.330 ( 5.750 -2.866 1.966) 6.718 ======================= Grid point 163 (69/204) ======================= q-point: (-0.55 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( -13.209 -9.731 -25.981) 30.727 3.311 ( 0.048 21.365 -8.416) 22.963 3.807 ( 2.912 25.010 19.463) 31.824 4.157 ( -18.285 1.655 -5.624) 19.201 4.474 ( 9.585 13.235 5.254) 17.165 4.759 ( -6.187 -2.821 8.939) 11.231 4.841 ( -2.968 4.819 0.998) 5.747 5.314 ( -0.524 -9.098 10.262) 13.724 5.637 ( 7.745 4.651 1.507) 9.160 5.955 ( 10.050 -9.261 -4.299) 14.327 6.112 ( -12.307 5.594 -9.482) 16.513 6.566 ( -16.010 -7.080 -12.008) 21.228 6.848 ( -6.216 8.501 7.813) 13.113 7.459 ( 13.654 0.105 2.176) 13.826 7.594 ( 1.693 -0.901 5.266) 5.604 7.669 ( -7.416 5.331 1.144) 9.204 8.091 ( -8.806 -3.280 3.899) 10.173 8.234 ( -2.838 -13.175 7.150) 15.257 8.303 ( -12.203 3.401 -7.602) 14.774 8.535 ( -7.143 -1.484 -10.679) 12.933 8.758 ( 3.570 -6.383 -4.077) 8.373 8.800 ( -0.730 -2.232 -8.767) 9.076 9.257 ( 0.040 4.710 1.194) 4.859 9.715 ( 0.512 -7.902 -3.028) 8.478 9.817 ( 0.177 6.081 3.015) 6.789 10.063 ( -4.106 -4.903 3.237) 7.168 10.182 ( -10.794 9.195 1.419) 14.250 10.418 ( -5.278 -0.418 2.662) 5.926 10.554 ( -3.782 -1.841 3.357) 5.381 10.865 ( -7.254 -5.746 -2.825) 9.676 10.940 ( 4.889 2.272 -3.872) 6.638 11.054 ( -2.113 2.191 4.509) 5.441 11.251 ( 0.325 -0.420 2.603) 2.656 11.545 ( 2.105 2.038 -6.660) 7.276 11.700 ( 4.681 -0.230 -12.833) 13.662 11.854 ( 1.442 -1.603 5.574) 5.977 11.966 ( -11.873 2.748 -1.922) 12.337 12.249 ( -0.093 0.933 1.655) 1.902 12.385 ( -6.096 -4.111 7.447) 10.466 12.648 ( 2.283 1.504 5.407) 6.059 12.781 ( 7.258 -3.307 -0.450) 7.988 12.878 ( -0.568 -2.703 5.810) 6.433 13.269 ( 7.575 -0.734 -9.736) 12.358 13.499 ( -4.088 -0.152 2.867) 4.995 13.905 ( 4.951 3.537 1.869) 6.365 13.967 ( -0.790 -3.305 0.707) 3.471 14.181 ( -6.342 -3.217 2.260) 7.461 14.408 ( -9.577 -4.122 3.422) 10.973 14.660 ( 3.493 0.860 -3.093) 4.744 14.785 ( 3.986 -0.359 -4.525) 6.041 15.171 ( 4.677 5.539 -0.680) 7.281 15.335 ( 1.619 -1.732 -4.193) 4.817 15.644 ( 4.872 0.666 9.503) 10.700 15.726 ( 3.436 -0.525 5.180) 6.238 16.203 ( 11.847 -7.017 -5.683) 14.896 16.398 ( -1.273 4.115 -1.003) 4.423 16.628 ( 0.759 -7.548 1.691) 7.773 17.530 ( -19.070 -2.227 2.588) 19.373 18.193 ( -10.316 4.464 -6.307) 12.889 18.784 ( -0.496 1.305 2.023) 2.458 20.284 ( -6.800 -2.609 10.299) 12.614 21.690 ( 7.290 1.386 -28.217) 29.177 22.440 ( 5.650 1.891 17.975) 18.936 23.598 ( 1.455 1.874 -1.204) 2.661 24.241 ( 2.488 2.124 0.005) 3.271 24.455 ( 4.776 -4.144 0.419) 6.337 ======================= Grid point 164 (70/204) ======================= q-point: (-0.45 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -5.988 -8.433 -17.636) 20.445 2.948 ( -10.306 24.946 -4.952) 27.441 3.594 ( -5.855 26.472 10.498) 29.073 3.906 ( -8.624 -2.103 -7.403) 11.559 4.435 ( -14.166 11.439 -2.219) 18.343 4.547 ( 4.298 20.113 4.596) 21.074 4.760 ( -2.052 8.659 13.058) 15.802 5.443 ( 1.882 -8.029 7.903) 11.422 5.590 ( -10.083 8.007 -3.075) 13.238 5.833 ( -5.462 5.298 -2.786) 8.103 6.202 ( -0.022 -4.526 -0.991) 4.633 6.413 ( 1.704 -8.597 -5.848) 10.537 6.712 ( -4.840 5.788 2.678) 8.006 7.555 ( -4.129 -0.272 1.128) 4.289 7.665 ( 8.092 3.623 1.371) 8.971 7.697 ( 9.109 0.646 -0.766) 9.164 7.925 ( -16.265 -0.569 8.734) 18.471 8.139 ( -1.643 -4.821 -9.258) 10.567 8.323 ( -3.424 -10.947 4.139) 12.194 8.408 ( -4.627 -1.857 -6.043) 7.834 8.779 ( 0.212 -3.257 -7.656) 8.322 8.963 ( 10.080 -9.399 2.676) 14.040 9.271 ( 3.103 -0.322 0.534) 3.165 9.754 ( 0.502 -3.248 -4.171) 5.310 9.788 ( -4.851 -3.965 0.395) 6.278 9.941 ( -9.700 6.819 1.949) 12.016 10.097 ( 0.242 -5.094 4.056) 6.516 10.316 ( -9.385 -2.532 1.924) 9.909 10.519 ( -3.499 -0.728 3.054) 4.701 10.829 ( -2.103 -4.041 -2.724) 5.308 10.939 ( 1.506 7.237 1.756) 7.597 11.020 ( -0.857 0.626 -2.527) 2.741 11.286 ( 2.039 -2.196 -1.664) 3.428 11.495 ( -3.884 0.975 -6.472) 7.610 11.678 ( -0.024 -0.229 -7.301) 7.305 11.793 ( -3.857 -2.628 -9.331) 10.433 11.911 ( 1.093 -0.935 2.838) 3.181 12.226 ( -9.867 -5.130 2.405) 11.378 12.321 ( -2.524 3.798 8.527) 9.670 12.668 ( -0.813 0.630 -0.998) 1.433 12.910 ( 6.082 -0.632 -3.593) 7.093 12.953 ( 3.199 -1.751 9.003) 9.714 13.341 ( 4.928 -0.249 -8.798) 10.087 13.520 ( 2.858 -1.195 11.803) 12.203 13.903 ( -1.731 -0.493 -6.057) 6.318 14.027 ( 1.746 -0.039 5.255) 5.538 14.065 ( -8.714 -0.324 6.630) 10.955 14.370 ( -6.290 -8.786 0.919) 10.844 14.713 ( 6.027 1.303 -1.567) 6.362 14.829 ( 3.007 -1.078 -4.815) 5.778 15.247 ( 9.604 2.989 -0.182) 10.060 15.340 ( 1.123 -0.577 -5.289) 5.437 15.731 ( 3.448 1.701 4.279) 5.753 15.769 ( -0.799 1.491 7.622) 7.807 16.287 ( -3.236 7.014 -0.011) 7.725 16.426 ( 4.547 -6.399 -8.142) 11.309 16.768 ( 4.144 -13.200 3.536) 14.279 17.370 ( -4.795 -2.791 2.994) 6.304 17.946 ( -11.160 3.321 -6.894) 13.532 18.690 ( -8.597 3.247 2.587) 9.547 20.269 ( -3.776 -1.110 11.172) 11.845 21.680 ( 5.661 0.768 -22.477) 23.191 22.606 ( 6.854 -0.750 15.600) 17.056 23.598 ( 1.549 2.439 -0.759) 2.987 24.242 ( 1.441 4.053 -0.001) 4.302 24.564 ( 3.614 -4.418 -1.225) 5.838 ======================= Grid point 165 (71/204) ======================= q-point: (-0.36 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -6.006 29.482 -1.260) 30.114 2.723 ( -0.779 -1.558 -9.280) 9.442 3.178 ( -14.592 22.181 -11.644) 28.991 3.784 ( -0.143 16.942 2.939) 17.195 4.017 ( -8.268 17.428 -0.045) 19.290 4.477 ( 0.314 8.557 3.394) 9.211 4.743 ( 2.146 10.428 11.820) 15.908 5.322 ( -10.043 6.396 5.089) 12.949 5.452 ( -3.575 9.270 -1.155) 10.003 5.758 ( -1.988 -4.857 1.790) 5.545 6.203 ( -2.313 -4.716 2.000) 5.621 6.509 ( -1.384 -6.568 -8.838) 11.098 6.678 ( 5.947 2.601 -0.142) 6.493 7.467 ( -12.817 7.711 0.719) 14.975 7.540 ( -0.991 -2.192 -2.560) 3.513 7.829 ( -4.775 2.207 7.378) 9.061 7.905 ( 15.714 0.687 -6.781) 17.128 8.165 ( 0.578 -1.871 -1.182) 2.287 8.346 ( -6.438 -9.350 -1.574) 11.460 8.480 ( 3.853 -14.075 5.309) 15.529 8.799 ( 1.897 -2.583 -3.942) 5.081 9.270 ( 13.370 -9.396 4.730) 17.012 9.329 ( 1.644 -1.616 1.207) 2.602 9.696 ( -10.578 -0.067 -0.705) 10.602 9.757 ( -6.376 -8.048 -1.049) 10.322 9.813 ( 1.163 0.745 -1.361) 1.939 10.183 ( 0.869 -4.964 5.303) 7.315 10.226 ( -4.275 -3.593 -3.172) 6.422 10.477 ( -4.518 -0.307 4.007) 6.047 10.841 ( 0.276 -3.030 -3.111) 4.351 10.883 ( -0.151 6.443 -1.651) 6.653 10.991 ( -0.352 -1.268 -1.856) 2.275 11.323 ( 1.060 -2.090 -6.971) 7.354 11.433 ( 1.642 -2.475 -6.451) 7.102 11.684 ( 0.300 -0.875 -1.178) 1.497 11.767 ( 1.963 -2.163 -9.698) 10.129 11.948 ( -0.271 -3.092 0.102) 3.106 12.064 ( -14.360 -5.524 5.413) 16.311 12.312 ( 1.929 7.486 6.832) 10.317 12.630 ( -1.360 0.125 -1.242) 1.846 12.936 ( 0.534 0.369 -7.798) 7.824 13.058 ( 1.565 -1.953 5.984) 6.486 13.356 ( 1.749 1.766 -4.174) 4.858 13.685 ( 5.232 -4.634 14.167) 15.797 13.815 ( -5.765 -0.196 -7.882) 9.767 13.966 ( -1.724 0.400 4.394) 4.737 14.102 ( 1.669 0.506 6.729) 6.951 14.353 ( -7.413 -8.532 2.708) 11.622 14.808 ( 7.912 0.705 -4.471) 9.115 14.864 ( 1.086 -2.291 -3.091) 3.998 15.304 ( 2.101 3.900 -5.431) 7.009 15.428 ( 10.379 0.491 -0.176) 10.392 15.732 ( 0.133 6.166 0.036) 6.168 15.741 ( -5.572 1.073 8.358) 10.102 16.135 ( -4.728 7.444 5.527) 10.408 16.471 ( -0.342 -6.178 -5.439) 8.238 17.030 ( 6.489 -17.289 -1.474) 18.526 17.371 ( -1.637 -0.696 -4.452) 4.794 17.792 ( -1.391 0.513 4.280) 4.530 18.505 ( -9.819 3.804 1.632) 10.656 20.255 ( -4.926 0.878 13.554) 14.448 21.670 ( 4.368 0.879 -17.175) 17.744 22.788 ( 5.050 -3.833 13.310) 14.743 23.588 ( 0.786 2.947 -0.534) 3.096 24.211 ( 0.648 5.491 0.125) 5.531 24.640 ( 1.583 -4.264 -3.825) 5.943 ======================= Grid point 166 (72/204) ======================= q-point: (-0.27 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 6.705 31.732 2.577) 32.534 2.368 ( -15.218 39.536 -9.235) 43.358 2.934 ( 5.731 -3.397 -19.372) 20.486 3.607 ( 9.080 36.513 22.048) 43.609 3.867 ( 1.288 4.857 -16.205) 16.966 4.440 ( 2.323 6.891 6.562) 9.795 4.625 ( -9.034 9.701 5.711) 14.434 5.227 ( 0.837 4.889 12.121) 13.097 5.317 ( 3.336 13.514 1.178) 13.969 5.785 ( -3.224 -7.053 -0.408) 7.766 6.209 ( -2.779 -3.241 -1.457) 4.511 6.511 ( -0.741 -7.140 -13.792) 15.548 6.792 ( 6.850 -5.648 4.651) 10.023 7.282 ( -2.260 1.818 1.153) 3.121 7.522 ( -2.088 1.013 -5.478) 5.949 7.737 ( -5.931 2.039 4.378) 7.649 8.089 ( 12.942 2.959 -7.715) 15.355 8.143 ( -3.184 3.275 -1.219) 4.728 8.377 ( -1.960 -11.262 7.547) 13.698 8.708 ( 2.023 -13.769 3.349) 14.314 8.883 ( 5.429 -4.852 1.641) 7.464 9.323 ( -6.928 -0.783 -2.327) 7.350 9.446 ( -7.029 -3.168 2.873) 8.228 9.605 ( 4.128 -3.238 -0.357) 5.258 9.803 ( -0.178 -7.070 1.768) 7.290 9.867 ( 8.679 -3.291 -0.342) 9.288 10.200 ( 0.091 -0.111 -2.519) 2.523 10.265 ( -1.608 -8.084 -0.547) 8.261 10.425 ( -3.451 0.158 7.609) 8.356 10.772 ( -6.251 -1.596 -7.463) 9.865 10.882 ( 1.496 -2.652 -2.630) 4.024 11.063 ( 6.152 -3.252 -0.669) 6.991 11.338 ( 3.609 -1.649 -8.141) 9.057 11.504 ( 7.749 -0.473 -12.733) 14.913 11.618 ( -8.891 -1.616 -1.299) 9.129 11.796 ( 1.919 0.046 2.248) 2.956 11.979 ( 1.381 -8.038 0.377) 8.165 12.037 ( 1.381 -1.253 2.149) 2.845 12.256 ( -2.790 7.111 6.189) 9.831 12.648 ( 1.405 -2.425 3.032) 4.129 12.853 ( -4.433 2.428 -10.879) 11.996 13.042 ( -6.399 -1.622 -0.315) 6.609 13.354 ( -0.613 1.010 2.696) 2.943 13.644 ( -7.170 -2.107 -7.977) 10.930 13.851 ( 0.823 0.809 11.969) 12.025 14.071 ( 10.027 -1.726 5.216) 11.434 14.140 ( 1.857 2.171 5.347) 6.063 14.350 ( -2.225 -8.227 0.921) 8.572 14.848 ( -2.920 0.738 -5.992) 6.707 14.905 ( 5.724 -0.710 -3.657) 6.830 15.244 ( 0.909 7.414 -4.843) 8.902 15.538 ( 4.697 3.420 -2.816) 6.456 15.610 ( -9.190 2.236 1.478) 9.573 15.638 ( -3.053 8.470 2.127) 9.251 16.163 ( 6.023 -1.137 17.477) 18.521 16.539 ( 2.806 -7.737 -1.251) 8.324 17.219 ( -0.581 -8.476 -8.782) 12.219 17.316 ( -4.407 -14.090 -4.447) 15.418 17.926 ( 11.394 0.514 12.229) 16.722 18.368 ( -1.318 3.233 0.106) 3.492 20.196 ( -8.372 2.291 16.667) 18.791 21.665 ( 4.015 1.114 -12.590) 13.262 22.931 ( -0.384 -5.580 12.062) 13.296 23.559 ( -0.223 3.321 -0.668) 3.395 24.160 ( 0.210 6.204 0.530) 6.230 24.650 ( -2.189 -2.569 -7.975) 8.660 ======================= Grid point 167 (73/204) ======================= q-point: (-0.18 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -3.165 40.545 -13.980) 43.004 2.081 ( 17.980 27.485 12.700) 35.213 3.024 ( 14.276 5.035 -16.052) 22.064 3.570 ( 15.631 30.700 7.195) 35.194 3.696 ( -0.077 18.367 -5.363) 19.134 4.450 ( -4.523 1.897 7.184) 8.699 4.485 ( 7.887 4.720 5.597) 10.762 5.226 ( -0.939 11.156 -1.988) 11.370 5.349 ( 13.071 6.098 10.242) 17.690 5.809 ( -0.909 -5.336 2.643) 6.024 6.205 ( -2.113 -8.262 -3.550) 9.238 6.514 ( 1.936 -4.856 -13.208) 14.205 7.037 ( 6.279 -11.339 6.971) 14.717 7.345 ( 7.202 8.531 -0.376) 11.171 7.435 ( -0.741 -8.287 -2.506) 8.689 7.666 ( -3.946 -2.119 2.772) 5.267 7.982 ( -8.142 5.505 -2.775) 10.213 8.251 ( 12.047 1.429 -3.166) 12.538 8.523 ( 0.595 -11.274 6.545) 13.050 8.854 ( 2.585 -7.720 4.980) 9.543 9.036 ( 2.034 -7.246 3.100) 8.139 9.115 ( -13.545 -2.847 -6.960) 15.492 9.393 ( -4.036 -0.027 4.144) 5.785 9.694 ( 3.853 -2.466 -2.108) 5.037 9.834 ( -1.186 -3.179 0.722) 3.469 10.006 ( -1.768 -0.962 -10.053) 10.252 10.258 ( 4.791 -0.706 5.203) 7.108 10.300 ( 2.324 -7.296 2.030) 7.922 10.439 ( 0.127 -0.124 3.061) 3.067 10.698 ( -3.474 -6.417 -2.839) 7.830 10.914 ( -0.620 -4.665 -3.708) 5.991 11.170 ( 1.335 -3.438 -1.121) 3.855 11.362 ( -0.330 -0.134 -9.642) 9.648 11.538 ( 7.156 -3.465 -6.969) 10.573 11.600 ( 5.961 2.165 -7.573) 9.878 11.833 ( -0.064 0.756 3.902) 3.975 12.018 ( -3.318 1.328 1.437) 3.851 12.134 ( 4.662 -5.326 -0.073) 7.079 12.186 ( -1.071 4.999 4.863) 7.056 12.602 ( -6.704 -3.051 -1.411) 7.500 12.853 ( 6.815 -0.717 3.761) 7.817 12.938 ( -4.493 -0.854 -2.401) 5.166 13.313 ( -4.205 0.327 3.003) 5.177 13.588 ( 0.726 -0.638 -4.633) 4.733 13.845 ( -2.709 2.746 4.393) 5.846 14.141 ( -1.612 3.004 3.746) 5.066 14.219 ( 3.559 -3.531 1.822) 5.334 14.494 ( 8.591 -2.700 3.080) 9.517 14.682 ( -8.328 7.871 -4.393) 12.272 14.967 ( 1.788 0.484 -0.600) 1.948 15.195 ( 2.052 2.318 -5.773) 6.550 15.428 ( -8.601 2.600 -0.541) 9.002 15.464 ( -1.595 10.777 -2.959) 11.289 15.584 ( -0.941 0.212 1.936) 2.163 16.333 ( 1.316 -3.360 10.785) 11.373 16.684 ( 2.391 -8.423 -1.863) 8.951 17.267 ( 0.315 -12.180 -5.933) 13.552 17.420 ( -3.422 -19.486 0.738) 19.798 18.173 ( 10.167 1.332 10.993) 15.033 18.522 ( 23.766 -9.358 1.627) 25.593 20.076 ( -12.024 3.683 18.874) 22.679 21.678 ( 4.219 0.729 -8.222) 9.270 22.951 ( -10.069 -3.849 10.596) 15.115 23.521 ( 0.095 2.557 -0.425) 2.594 24.106 ( 0.420 6.078 0.871) 6.154 24.539 ( -5.924 3.553 -11.791) 13.665 ======================= Grid point 168 (74/204) ======================= q-point: (-0.09 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 15.235 15.179 -1.336) 21.547 2.239 ( 23.272 21.244 16.265) 35.460 3.155 ( 18.750 16.824 -4.954) 25.673 3.319 ( -5.265 2.915 -27.606) 28.255 3.758 ( 23.079 30.890 16.393) 41.900 4.490 ( 7.423 1.212 8.983) 11.716 4.654 ( 13.296 0.628 -0.222) 13.313 5.027 ( -5.926 10.581 -9.558) 15.441 5.560 ( 13.226 6.068 7.968) 16.591 5.913 ( 6.124 -4.463 6.610) 10.055 6.277 ( -0.076 -11.203 -1.909) 11.365 6.558 ( 3.973 -0.338 -8.584) 9.465 7.116 ( -2.225 -0.749 5.023) 5.545 7.395 ( 6.758 -0.636 -5.404) 8.676 7.572 ( 1.828 -7.530 -0.334) 7.756 7.771 ( -7.045 6.263 -1.335) 9.521 7.802 ( 7.554 -11.359 7.847) 15.737 8.412 ( 9.613 -1.156 -1.067) 9.740 8.650 ( -0.364 -10.812 1.668) 10.946 8.915 ( -8.569 -0.324 -4.369) 9.624 8.989 ( 1.990 -5.125 6.236) 8.313 9.121 ( -5.827 -13.296 -1.090) 14.558 9.344 ( -1.889 1.628 -1.490) 2.905 9.748 ( -2.406 1.693 -0.064) 2.942 9.781 ( -4.904 -2.203 -0.234) 5.381 9.945 ( 2.929 -0.242 -5.469) 6.208 10.278 ( -3.625 -7.252 -4.809) 9.426 10.394 ( -0.063 1.836 2.859) 3.398 10.496 ( 7.822 5.609 3.289) 10.171 10.781 ( 3.060 -9.992 2.140) 10.667 10.915 ( -3.802 -5.469 -3.527) 7.537 11.161 ( -1.622 0.067 -3.888) 4.213 11.351 ( 1.072 -2.774 -2.292) 3.754 11.566 ( -1.247 3.972 -2.632) 4.925 11.676 ( 3.864 1.696 -12.237) 12.944 11.824 ( 3.096 -1.954 -2.831) 4.628 11.981 ( -0.498 4.611 5.761) 7.396 12.120 ( 1.689 1.450 -0.710) 2.337 12.232 ( 0.630 -2.352 3.061) 3.911 12.687 ( 3.311 -8.114 3.070) 9.286 12.785 ( -5.105 -1.277 -3.261) 6.190 13.086 ( 10.288 0.148 2.698) 10.637 13.267 ( -5.719 -3.931 6.169) 9.285 13.639 ( 8.362 -0.159 2.017) 8.603 13.768 ( -2.183 5.857 -0.473) 6.268 14.075 ( -3.287 3.525 1.673) 5.102 14.253 ( -1.407 5.432 -5.850) 8.106 14.490 ( -2.490 4.753 5.605) 7.759 14.600 ( 1.469 0.563 1.602) 2.246 14.919 ( -4.889 3.313 -0.761) 5.954 15.155 ( -1.337 4.595 -3.137) 5.722 15.286 ( -8.267 -0.965 2.729) 8.759 15.401 ( 4.032 1.855 -6.293) 7.701 15.559 ( -1.957 1.620 1.650) 3.029 16.374 ( -2.789 -3.454 4.314) 6.190 16.710 ( -3.297 -2.873 -4.815) 6.505 17.308 ( -7.482 -15.448 -9.096) 19.426 17.606 ( 2.581 -13.726 -0.593) 13.979 18.281 ( 5.928 6.346 4.917) 9.979 19.313 ( 27.166 -40.615 16.552) 51.590 19.914 ( -6.270 5.263 8.578) 11.857 21.722 ( 4.490 -0.704 -3.591) 5.792 22.739 ( -20.788 3.427 5.478) 21.770 23.522 ( 1.096 -0.084 1.505) 1.864 24.066 ( 1.435 5.469 0.443) 5.672 24.325 ( -4.090 11.610 -10.174) 15.970 ======================= Grid point 173 (75/204) ======================= q-point: ( 0.36 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( -14.110 -0.000 -26.866) 30.346 3.538 ( 4.021 0.000 -15.223) 15.745 4.149 ( -29.220 -0.000 0.458) 29.223 4.153 ( 6.773 0.000 22.014) 23.033 4.583 ( 8.230 0.000 19.713) 21.362 4.689 ( -6.808 -0.000 -10.706) 12.687 4.935 ( 1.130 0.000 2.300) 2.563 5.161 ( 8.106 0.000 10.727) 13.445 5.718 ( 13.424 0.000 6.505) 14.917 5.798 ( 5.138 0.000 -5.284) 7.371 6.330 ( -13.762 -0.000 -7.372) 15.612 6.356 ( -12.082 -0.000 -15.265) 19.468 6.955 ( -7.964 -0.000 8.112) 11.368 7.468 ( 13.514 0.000 -0.038) 13.514 7.561 ( -0.473 -0.000 5.799) 5.818 7.833 ( -5.262 -0.000 -3.058) 6.087 7.969 ( -8.525 -0.000 6.625) 10.797 8.079 ( -8.986 -0.000 11.563) 14.644 8.414 ( -6.366 -0.000 -13.001) 14.476 8.428 ( -5.455 -0.000 -7.067) 8.928 8.740 ( -4.582 -0.000 -12.299) 13.124 8.753 ( 3.369 0.000 -4.277) 5.444 9.327 ( -3.944 -0.000 2.606) 4.727 9.612 ( 0.589 0.000 -2.376) 2.448 9.930 ( 0.021 0.000 7.357) 7.357 9.964 ( -5.416 -0.000 -3.420) 6.405 10.292 ( -11.909 -0.000 5.393) 13.073 10.444 ( -10.639 -0.000 5.697) 12.068 10.531 ( 1.539 0.000 -0.730) 1.703 10.754 ( -6.474 -0.000 -5.881) 8.746 10.971 ( 7.284 0.000 -6.120) 9.514 11.082 ( -3.421 -0.000 7.905) 8.614 11.252 ( -1.087 -0.000 4.408) 4.540 11.581 ( 2.897 0.000 -5.412) 6.138 11.690 ( 5.659 0.000 -16.563) 17.503 11.838 ( 2.627 0.000 7.944) 8.367 12.026 ( -18.166 -0.000 -1.827) 18.257 12.168 ( -4.313 -0.000 2.343) 4.908 12.401 ( 0.236 0.000 5.743) 5.748 12.661 ( -0.135 -0.000 5.635) 5.637 12.746 ( 10.764 0.000 0.241) 10.767 12.848 ( 0.011 0.000 6.145) 6.146 13.260 ( 8.418 0.000 -13.556) 15.957 13.495 ( -5.147 -0.000 6.680) 8.433 13.929 ( 2.889 0.000 1.330) 3.180 13.974 ( 3.520 0.000 5.679) 6.681 14.116 ( -3.912 -0.000 -6.367) 7.473 14.365 ( -14.938 -0.000 8.237) 17.059 14.665 ( 3.880 0.000 -3.059) 4.941 14.785 ( 4.155 0.000 -5.552) 6.935 15.242 ( 0.817 0.000 1.245) 1.489 15.305 ( 4.016 0.000 -7.748) 8.727 15.657 ( 3.498 0.000 17.255) 17.606 15.706 ( 5.613 0.000 -1.114) 5.722 16.132 ( 13.081 0.000 -5.414) 14.157 16.463 ( -2.849 -0.000 -9.266) 9.694 16.534 ( 2.491 0.000 9.513) 9.834 17.505 ( -20.830 -0.000 5.792) 21.620 18.244 ( -10.760 -0.000 -8.954) 13.998 18.795 ( 0.743 0.000 2.965) 3.056 20.260 ( -4.920 -0.000 8.780) 10.065 21.706 ( 6.755 0.000 -29.731) 30.489 22.458 ( 3.434 0.000 19.973) 20.266 23.619 ( 1.639 0.000 -1.713) 2.370 24.269 ( 3.981 0.000 -0.492) 4.012 24.403 ( 4.396 0.000 1.093) 4.530 ======================= Grid point 175 (76/204) ======================= q-point: (-0.55 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( -6.078 -5.977 -14.728) 17.017 3.407 ( -6.391 18.287 -8.962) 21.345 3.744 ( -18.007 -8.021 -7.366) 21.044 4.094 ( -9.932 14.459 8.924) 19.681 4.561 ( -1.934 5.025 1.149) 5.506 4.781 ( -2.541 -5.332 11.901) 13.286 4.904 ( 4.051 10.767 6.034) 12.990 5.285 ( 0.302 -5.298 10.422) 11.696 5.796 ( -0.583 10.876 -3.037) 11.307 5.970 ( -9.542 8.366 -4.177) 13.361 6.099 ( 18.951 -5.467 -3.331) 20.003 6.205 ( -11.091 -11.928 -7.550) 17.953 6.851 ( -5.459 5.275 5.793) 9.549 7.553 ( -3.205 0.095 -2.978) 4.376 7.663 ( 12.485 -0.956 -6.409) 14.066 7.771 ( 3.333 5.765 11.136) 12.975 7.907 ( -10.667 -2.469 8.876) 14.095 7.987 ( -10.131 -9.379 4.203) 14.432 8.234 ( -2.428 4.141 -11.149) 12.139 8.399 ( -2.526 -2.222 -1.552) 3.705 8.684 ( 1.318 -5.007 -10.800) 11.977 8.829 ( 7.176 -2.938 -1.869) 7.977 9.283 ( -1.389 0.886 4.174) 4.488 9.605 ( -3.033 -4.987 -4.143) 7.157 9.844 ( -4.527 3.089 -2.963) 6.230 10.000 ( -0.030 -3.532 7.095) 7.926 10.082 ( -11.009 5.993 2.108) 12.711 10.259 ( -14.312 -3.539 5.762) 15.829 10.550 ( 2.378 3.607 -0.750) 4.385 10.716 ( -0.957 -6.083 -3.684) 7.176 11.035 ( -4.102 1.002 4.169) 5.934 11.046 ( 5.611 2.325 -4.833) 7.761 11.265 ( 1.795 -0.204 -0.080) 1.808 11.566 ( -2.483 5.406 -5.599) 8.169 11.674 ( -3.233 -0.410 -7.129) 7.839 11.731 ( -6.334 -3.429 -11.723) 13.759 11.910 ( 0.177 0.798 6.914) 6.962 12.063 ( -13.079 -7.012 2.225) 15.006 12.430 ( 2.547 3.799 5.470) 7.131 12.668 ( -1.394 -0.397 -1.152) 1.851 12.903 ( 7.757 -0.034 -3.186) 8.386 12.920 ( 3.888 -1.180 7.431) 8.469 13.337 ( 6.507 -0.138 -8.519) 10.721 13.494 ( 0.226 -0.938 11.174) 11.216 13.938 ( -1.286 3.028 -2.708) 4.261 14.013 ( -1.769 -1.685 -1.621) 2.932 14.069 ( -2.538 1.831 10.586) 11.039 14.199 ( -9.726 -7.377 3.674) 12.748 14.720 ( 3.542 -0.159 0.202) 3.551 14.826 ( 4.499 0.277 -7.423) 8.684 15.288 ( 6.518 1.067 -0.773) 6.650 15.334 ( 3.473 -0.100 -6.211) 7.117 15.743 ( 0.102 0.399 12.021) 12.028 15.780 ( 2.573 -0.458 0.732) 2.714 16.348 ( 9.534 -1.665 -7.200) 12.063 16.403 ( 1.921 4.388 -0.992) 4.892 16.573 ( -3.828 -6.303 5.133) 8.985 17.326 ( -3.972 -1.307 6.315) 7.574 18.002 ( -12.145 1.721 -10.429) 16.100 18.734 ( -8.756 1.162 4.212) 9.786 20.268 ( 0.629 0.315 7.438) 7.471 21.690 ( 5.650 0.218 -25.431) 26.053 22.593 ( 3.145 -0.391 19.337) 19.595 23.636 ( 1.860 1.117 -1.456) 2.613 24.313 ( 3.086 2.719 -0.413) 4.134 24.481 ( 3.046 -3.215 -0.443) 4.451 ======================= Grid point 176 (77/204) ======================= q-point: (-0.45 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 4.192 -8.673 -3.472) 10.240 3.002 ( -10.246 23.310 -0.609) 25.470 3.589 ( -5.838 7.902 -12.632) 16.003 3.802 ( -9.208 3.018 -5.411) 11.098 4.498 ( 0.997 12.875 11.445) 17.255 4.627 ( -8.780 10.772 -1.170) 13.946 4.951 ( 2.897 8.665 15.160) 17.701 5.392 ( -1.715 -9.122 -2.136) 9.524 5.509 ( -6.992 13.419 0.971) 15.163 5.820 ( -3.402 6.781 -0.243) 7.591 6.116 ( -3.332 -5.106 -0.047) 6.097 6.437 ( 8.941 -2.459 -3.765) 10.008 6.759 ( 1.698 4.991 0.366) 5.285 7.504 ( -1.155 -0.860 -3.226) 3.532 7.628 ( -15.750 6.953 3.598) 17.588 7.849 ( 8.317 -4.254 -4.568) 10.398 7.905 ( 3.365 0.993 8.605) 9.292 7.962 ( -2.942 -10.859 -5.817) 12.665 8.210 ( 1.573 -3.264 -1.744) 4.021 8.384 ( -0.046 0.823 7.055) 7.103 8.735 ( 2.726 -3.757 -5.482) 7.183 9.061 ( 12.564 -10.128 1.512) 16.209 9.309 ( 1.767 -1.849 2.464) 3.552 9.571 ( -6.509 -5.778 -3.279) 9.300 9.712 ( -8.727 -0.408 -2.458) 9.075 9.872 ( -6.394 4.152 3.969) 8.595 10.080 ( 1.032 -3.570 1.535) 4.021 10.144 ( -8.154 -6.070 4.329) 11.049 10.533 ( 1.695 5.752 0.314) 6.005 10.769 ( 1.744 -4.450 -2.665) 5.472 10.970 ( -4.587 0.034 -2.428) 5.190 11.047 ( 1.624 7.405 -0.344) 7.588 11.307 ( 2.861 0.430 -5.934) 6.602 11.392 ( -2.824 -0.965 -5.017) 5.837 11.649 ( -2.211 -3.048 -3.236) 4.965 11.715 ( 3.153 -2.591 -11.202) 11.923 11.884 ( -8.045 -3.409 1.335) 8.839 11.971 ( -4.337 -3.029 7.220) 8.951 12.443 ( 1.389 5.112 4.507) 6.955 12.627 ( -2.205 -0.287 -3.086) 3.804 12.945 ( 1.185 0.698 -7.199) 7.329 13.011 ( 1.289 -2.446 1.982) 3.402 13.391 ( 3.383 1.452 -2.363) 4.374 13.589 ( 1.179 -3.582 8.856) 9.626 13.859 ( -0.556 3.245 -3.904) 5.107 13.944 ( -5.651 -1.565 5.703) 8.180 14.066 ( -2.684 -5.103 2.695) 6.365 14.224 ( -1.714 -3.130 10.646) 11.229 14.783 ( 2.394 -1.788 1.005) 3.152 14.866 ( 5.415 1.024 -7.958) 9.680 15.365 ( 4.194 2.256 -4.240) 6.377 15.424 ( 10.017 -0.661 -0.799) 10.070 15.749 ( -4.411 0.245 8.976) 10.004 15.796 ( -1.148 0.595 1.397) 1.904 16.277 ( -7.868 6.428 2.851) 10.552 16.393 ( 1.163 -1.849 -5.431) 5.854 16.740 ( 7.488 -11.292 -1.071) 13.592 17.359 ( -0.673 -0.527 -2.758) 2.887 17.818 ( -1.725 1.520 1.176) 2.583 18.565 ( -10.575 2.184 2.724) 11.136 20.299 ( 0.235 2.598 8.140) 8.548 21.676 ( 4.850 -0.137 -21.629) 22.167 22.725 ( 1.732 -2.375 18.030) 18.268 23.640 ( 1.201 2.037 -1.217) 2.660 24.311 ( 1.494 4.587 -0.223) 4.829 24.551 ( 1.307 -4.493 -2.300) 5.214 ======================= Grid point 177 (78/204) ======================= q-point: (-0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 6.243 17.022 1.782) 18.218 2.757 ( 8.574 3.095 1.940) 9.320 3.168 ( -10.737 30.749 -16.614) 36.562 3.784 ( 5.577 -5.578 -14.355) 16.380 4.358 ( 2.000 28.965 19.926) 35.214 4.473 ( -2.745 -0.140 -1.419) 3.093 4.887 ( -6.041 12.207 11.457) 17.798 5.332 ( -0.526 -0.021 -0.575) 0.779 5.460 ( 0.601 3.473 2.548) 4.349 5.734 ( 0.987 5.596 1.728) 5.939 6.165 ( 2.174 -2.648 0.880) 3.537 6.433 ( -0.190 1.703 -8.677) 8.844 6.779 ( 0.963 1.943 0.423) 2.210 7.332 ( -8.009 3.611 -3.756) 9.555 7.537 ( 1.236 0.483 0.570) 1.445 7.786 ( -7.315 2.060 -0.466) 7.614 8.062 ( -1.259 -11.159 -4.600) 12.135 8.097 ( 10.495 -6.248 -3.646) 12.747 8.250 ( 1.532 0.362 3.820) 4.131 8.475 ( 2.708 -5.464 13.777) 15.066 8.802 ( 3.680 -3.111 -2.440) 5.401 9.304 ( -1.505 -2.814 0.242) 3.200 9.362 ( -2.744 -4.837 2.772) 6.214 9.524 ( 4.719 -5.979 -1.980) 7.870 9.651 ( 0.220 -5.408 1.242) 5.553 9.824 ( 0.189 -0.884 1.453) 1.711 10.099 ( -3.224 -5.798 -3.613) 7.554 10.151 ( -2.784 -6.327 4.125) 8.049 10.501 ( 1.470 6.682 3.409) 7.644 10.811 ( -1.845 3.075 -6.069) 7.050 10.832 ( -3.392 -1.800 -4.310) 5.773 11.042 ( 4.044 1.878 1.949) 4.866 11.312 ( 3.607 -1.136 -6.820) 7.798 11.480 ( 9.480 -2.120 -12.518) 15.845 11.564 ( -9.157 -3.822 -1.779) 10.081 11.776 ( 3.412 -2.355 -2.345) 4.763 11.852 ( 0.394 -4.030 3.064) 5.078 12.003 ( 1.712 -1.923 3.273) 4.164 12.389 ( -3.570 5.823 4.117) 7.975 12.601 ( -1.421 -2.063 -1.353) 2.847 12.888 ( -2.796 1.254 -7.781) 8.363 13.006 ( -4.009 -1.985 -3.736) 5.828 13.392 ( -0.771 2.528 2.606) 3.712 13.581 ( -5.393 -3.523 -4.706) 7.977 13.859 ( -1.663 -0.256 12.010) 12.128 14.029 ( 8.534 -1.892 1.990) 8.965 14.096 ( 0.542 -7.530 0.891) 7.601 14.257 ( -0.789 0.193 10.541) 10.572 14.817 ( -1.263 -2.223 -0.154) 2.562 14.920 ( 6.058 1.162 -5.640) 8.358 15.370 ( 2.041 4.933 -3.539) 6.405 15.558 ( 4.743 -0.153 -1.638) 5.020 15.655 ( -9.284 2.230 3.133) 10.049 15.758 ( -2.858 2.211 4.627) 5.871 16.170 ( 0.155 1.548 5.692) 5.901 16.441 ( 3.731 -2.409 -1.481) 4.682 16.922 ( 0.285 -14.022 -3.387) 14.428 17.225 ( -9.510 -1.558 -11.107) 14.705 17.958 ( 13.607 2.176 12.724) 18.756 18.423 ( -3.573 2.257 -0.309) 4.237 20.276 ( -3.300 4.852 10.010) 11.603 21.671 ( 4.546 -0.417 -18.518) 19.072 22.833 ( -1.639 -4.079 16.928) 17.490 23.621 ( 0.037 2.784 -1.248) 3.051 24.274 ( 0.088 5.285 0.225) 5.291 24.582 ( -1.198 -4.047 -4.758) 6.360 ======================= Grid point 178 (79/204) ======================= q-point: (-0.27 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -7.499 40.969 -18.623) 45.624 2.614 ( 15.525 25.704 7.999) 31.076 3.024 ( 16.386 -1.658 -8.089) 18.349 3.871 ( 9.266 4.962 -19.078) 21.782 4.279 ( 11.936 29.340 24.228) 39.878 4.461 ( -2.368 -2.777 6.162) 7.162 4.649 ( -7.307 13.616 10.554) 18.712 5.316 ( -6.781 -6.050 -8.577) 12.496 5.524 ( 16.290 13.195 12.417) 24.365 5.763 ( 4.506 0.104 2.443) 5.127 6.134 ( -3.638 3.512 -4.613) 6.844 6.427 ( 2.720 -2.833 -13.640) 14.194 6.837 ( 4.127 -8.085 9.652) 13.250 7.282 ( 2.632 -2.562 -2.668) 4.540 7.529 ( 0.562 1.891 -4.971) 5.348 7.644 ( -7.333 1.547 -0.505) 7.512 8.029 ( -8.064 -2.128 -3.600) 9.084 8.274 ( 11.461 -0.041 -6.839) 13.347 8.348 ( 2.632 -5.239 10.788) 12.278 8.647 ( 0.517 -11.663 11.814) 16.609 8.881 ( 1.937 -4.639 -4.006) 6.428 9.141 ( -10.902 2.218 1.369) 11.209 9.384 ( -0.581 -0.989 3.135) 3.338 9.652 ( 5.647 -1.493 -3.623) 6.873 9.765 ( 0.804 -4.255 0.071) 4.331 9.946 ( 7.163 -5.334 -7.218) 11.482 10.106 ( -2.728 -10.068 5.016) 11.575 10.171 ( -2.032 -6.268 2.984) 7.233 10.486 ( 0.857 3.844 3.563) 5.312 10.689 ( 0.395 3.820 -5.539) 6.740 10.849 ( 0.285 -2.071 -3.228) 3.846 11.113 ( 2.493 -1.615 0.612) 3.033 11.352 ( -1.612 -0.959 -6.771) 7.026 11.465 ( 5.076 -3.619 -5.988) 8.644 11.637 ( 10.588 1.118 -11.583) 15.733 11.817 ( -0.669 -1.837 1.720) 2.605 11.967 ( 2.780 -5.091 3.896) 6.988 12.072 ( 4.516 -1.584 -1.644) 5.061 12.293 ( -2.826 5.175 7.345) 9.419 12.546 ( -8.279 -2.397 -3.816) 9.426 12.820 ( -2.967 -2.052 -1.494) 3.904 12.938 ( 0.173 0.503 -3.021) 3.068 13.338 ( -4.934 1.985 4.714) 7.107 13.553 ( 1.338 -2.971 -6.010) 6.837 13.863 ( -2.747 -0.250 5.112) 5.809 14.097 ( -1.636 -5.975 1.410) 6.353 14.218 ( 1.336 2.013 7.918) 8.279 14.390 ( 10.485 -5.751 3.880) 12.572 14.786 ( -2.229 1.772 -0.594) 2.909 14.976 ( 3.213 0.581 -1.566) 3.621 15.289 ( -2.464 6.529 -3.857) 7.974 15.464 ( -10.932 1.602 0.085) 11.049 15.587 ( -0.970 0.313 2.709) 2.894 15.662 ( -3.349 7.632 -2.309) 8.649 16.261 ( 2.009 -3.745 5.844) 7.226 16.550 ( 5.815 -4.473 -0.100) 7.337 17.017 ( -7.754 -17.398 -0.757) 19.063 17.106 ( -0.823 -6.693 -7.861) 10.356 18.224 ( 14.499 3.473 13.856) 20.354 18.445 ( 9.446 -0.955 -2.966) 9.947 20.181 ( -7.080 6.218 11.466) 14.841 21.678 ( 4.457 -0.745 -15.729) 16.365 22.873 ( -7.319 -3.645 15.966) 17.937 23.580 ( -0.688 3.064 -1.253) 3.381 24.217 ( -0.668 5.201 0.810) 5.306 24.547 ( -3.573 -1.808 -7.431) 8.441 ======================= Grid point 179 (80/204) ======================= q-point: (-0.18 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.502 34.453 -15.282) 37.693 2.700 ( 19.823 24.476 9.862) 33.004 3.251 ( 17.228 2.968 -16.446) 24.002 3.695 ( -2.825 23.564 -9.361) 25.513 4.280 ( 5.334 15.822 11.920) 20.515 4.532 ( 14.494 8.705 12.922) 21.280 4.685 ( 9.554 0.302 10.473) 14.180 5.169 ( -8.735 2.770 -7.701) 11.970 5.724 ( 12.806 8.847 8.494) 17.732 5.881 ( 7.898 -0.010 4.589) 9.134 6.078 ( 3.912 -3.635 -4.807) 7.185 6.473 ( 4.221 -6.649 -9.477) 12.323 7.052 ( 2.687 -5.927 6.416) 9.138 7.334 ( -4.175 -5.839 -6.064) 9.397 7.554 ( 10.804 3.409 -4.489) 12.186 7.588 ( 1.786 -7.805 3.633) 8.792 7.866 ( -9.056 2.557 -1.671) 9.557 8.436 ( 11.331 1.648 -3.410) 11.947 8.468 ( 0.114 -6.751 7.710) 10.248 8.791 ( -4.589 -15.107 1.738) 15.884 8.906 ( 1.467 -0.142 0.270) 1.499 8.996 ( -5.967 1.273 1.968) 6.410 9.377 ( -1.632 1.498 0.800) 2.355 9.725 ( 0.605 -2.337 -1.963) 3.111 9.776 ( -0.762 -0.080 -1.878) 2.029 9.937 ( 0.320 0.233 -5.896) 5.909 10.122 ( -5.006 -7.455 -3.998) 9.829 10.389 ( 6.062 -5.446 9.377) 12.423 10.493 ( 3.491 -4.887 0.968) 6.084 10.701 ( 4.704 4.056 1.065) 6.302 10.851 ( -0.372 -1.794 -4.341) 4.712 11.135 ( -0.960 -1.973 -1.885) 2.893 11.311 ( 0.029 -1.496 -4.066) 4.332 11.624 ( 7.071 -0.977 -5.190) 8.826 11.683 ( 1.859 1.692 -10.434) 10.733 11.797 ( 0.978 -0.657 -6.398) 6.505 12.031 ( 0.987 -0.277 11.679) 11.724 12.154 ( 0.737 0.277 -2.839) 2.947 12.219 ( -1.204 3.174 0.537) 3.436 12.526 ( 1.960 -7.553 3.802) 8.680 12.737 ( -6.661 -3.161 -4.335) 8.553 13.047 ( 6.045 -3.372 4.292) 8.144 13.256 ( -3.733 1.757 5.022) 6.500 13.624 ( 7.732 -1.534 -3.738) 8.724 13.825 ( -2.905 0.803 0.580) 3.069 14.111 ( -2.676 -1.571 1.720) 3.548 14.247 ( 0.449 -1.128 3.388) 3.599 14.536 ( -0.042 -1.604 -0.135) 1.610 14.735 ( 1.723 9.138 6.026) 11.081 14.967 ( -3.403 1.798 1.669) 4.195 15.196 ( -1.248 0.995 -3.725) 4.053 15.280 ( -9.717 0.748 -2.098) 9.969 15.493 ( -4.808 5.031 -0.361) 6.968 15.594 ( 0.477 2.768 -1.141) 3.031 16.290 ( -3.871 -4.609 0.861) 6.080 16.647 ( -0.374 -3.503 -2.031) 4.066 17.016 ( -5.660 -13.584 -3.568) 15.142 17.299 ( 6.775 -15.684 -1.736) 17.173 18.406 ( 8.522 6.209 8.079) 13.284 18.786 ( 21.228 -15.348 5.852) 26.841 20.035 ( -7.417 6.687 9.003) 13.445 21.700 ( 4.183 -1.619 -12.413) 13.198 22.773 ( -15.223 0.813 13.184) 20.155 23.542 ( -0.176 1.960 -0.067) 1.969 24.164 ( -0.247 4.467 0.993) 4.582 24.450 ( -3.688 2.088 -8.456) 9.459 ======================= Grid point 180 (81/204) ======================= q-point: (-0.09 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 12.023 12.704 -4.725) 18.118 2.814 ( 15.654 17.410 5.562) 24.064 3.222 ( -1.688 11.630 -10.576) 15.810 3.602 ( 18.897 13.478 -2.674) 23.365 4.237 ( 2.278 12.181 3.627) 12.912 4.768 ( 15.748 7.706 3.315) 17.843 4.883 ( 6.305 -2.792 0.919) 6.956 4.977 ( 0.825 11.582 3.194) 12.043 5.793 ( 5.266 5.318 -4.282) 8.622 6.063 ( 8.211 -4.601 10.758) 14.294 6.290 ( 15.351 -1.121 2.998) 15.681 6.588 ( 4.900 -4.568 -4.807) 8.246 7.066 ( -5.667 -5.188 3.624) 8.495 7.209 ( -9.791 -5.138 -12.726) 16.859 7.685 ( -3.527 3.272 6.651) 8.209 7.734 ( 11.658 0.833 -6.685) 13.464 7.917 ( 13.836 -12.332 5.350) 19.291 8.529 ( 3.214 -0.693 4.098) 5.253 8.579 ( 2.710 -4.471 0.385) 5.242 8.808 ( -1.250 -4.027 -4.548) 6.202 8.873 ( -8.521 -4.230 -6.921) 11.764 9.009 ( 2.642 -2.667 6.431) 7.446 9.292 ( -5.972 0.984 -2.800) 6.669 9.653 ( -3.438 2.019 -2.990) 4.984 9.810 ( 1.583 0.361 5.738) 5.963 9.967 ( 3.519 -1.377 -4.228) 5.670 10.099 ( -4.921 -8.464 -3.300) 10.331 10.466 ( 4.096 0.453 4.246) 5.917 10.655 ( 2.836 4.314 3.322) 6.139 10.771 ( 3.490 -7.307 2.995) 8.633 10.850 ( 3.400 -1.417 -4.764) 6.022 11.124 ( -1.195 -1.122 -3.063) 3.474 11.332 ( 0.883 -3.206 -4.257) 5.402 11.571 ( -4.797 5.815 0.414) 7.549 11.588 ( -6.344 -1.161 -4.023) 7.601 11.879 ( 6.169 1.968 -6.955) 9.503 12.084 ( 4.650 1.940 0.654) 5.081 12.146 ( 1.064 -1.172 -0.153) 1.591 12.216 ( -1.544 0.502 2.182) 2.720 12.570 ( -3.439 -5.853 -5.062) 8.468 12.778 ( 3.277 -5.732 3.499) 7.472 13.094 ( -4.415 -4.569 4.525) 7.800 13.283 ( 4.797 2.252 3.511) 6.357 13.747 ( -3.100 1.728 -6.423) 7.338 13.847 ( 14.085 -4.062 9.156) 17.284 14.066 ( -2.058 3.037 0.547) 3.709 14.228 ( -2.985 2.125 -4.218) 5.588 14.520 ( 0.500 2.838 4.243) 5.129 14.674 ( -2.127 6.860 6.787) 9.882 14.871 ( -4.870 3.922 -0.067) 6.254 15.129 ( -3.866 1.365 -4.726) 6.257 15.181 ( -4.334 -1.725 6.589) 8.073 15.407 ( -2.168 0.992 -4.212) 4.840 15.558 ( -0.611 2.501 -1.231) 2.854 16.276 ( -4.116 -5.722 -0.143) 7.050 16.594 ( -6.734 -2.282 -3.939) 8.128 17.078 ( -0.992 -9.419 -2.610) 9.825 17.519 ( 5.844 -12.596 -9.326) 16.727 18.470 ( 5.571 7.774 4.547) 10.590 19.279 ( -2.210 -20.532 28.609) 35.283 19.990 ( 12.192 -2.809 -11.003) 16.661 21.746 ( 3.649 -3.445 -7.620) 9.124 22.476 ( -21.040 7.528 7.244) 23.491 23.539 ( 0.323 0.078 2.142) 2.168 24.135 ( 1.210 3.572 0.521) 3.807 24.338 ( -1.237 5.780 -6.356) 8.680 ======================= Grid point 186 (82/204) ======================= q-point: ( 0.45 -0.55 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 4.747 0.000 1.928) 5.124 3.326 ( -15.544 -0.000 -0.840) 15.566 3.503 ( 3.117 0.000 -12.700) 13.077 3.912 ( -13.955 -0.000 -5.991) 15.186 4.655 ( -8.335 -0.000 -4.263) 9.362 4.686 ( 2.914 0.000 14.505) 14.795 5.046 ( -0.444 -0.000 14.302) 14.309 5.278 ( -3.035 -0.000 -1.780) 3.519 5.810 ( -2.612 -0.000 -3.531) 4.392 5.841 ( -5.922 -0.000 -4.507) 7.442 6.005 ( -3.327 -0.000 5.326) 6.280 6.402 ( 18.311 0.000 -2.493) 18.480 6.823 ( -2.389 -0.000 0.324) 2.411 7.508 ( -0.246 -0.000 -6.101) 6.105 7.677 ( -11.451 -0.000 1.754) 11.584 7.752 ( -10.552 -0.000 6.454) 12.369 7.811 ( 8.004 0.000 -3.311) 8.662 8.018 ( 0.493 0.000 9.810) 9.822 8.181 ( 4.599 0.000 -9.451) 10.511 8.402 ( 0.228 0.000 7.265) 7.269 8.678 ( 6.600 0.000 -6.435) 9.218 8.943 ( 10.268 0.000 -1.233) 10.342 9.280 ( -1.532 -0.000 5.197) 5.418 9.521 ( -1.579 -0.000 -6.388) 6.580 9.708 ( -10.613 -0.000 -3.030) 11.037 9.946 ( -9.954 -0.000 7.315) 12.353 10.043 ( -9.650 -0.000 5.821) 11.270 10.048 ( 1.299 0.000 0.700) 1.475 10.658 ( 0.363 0.000 -3.166) 3.186 10.664 ( 6.747 0.000 0.080) 6.748 10.972 ( -4.747 -0.000 -0.860) 4.825 11.126 ( 4.593 0.000 -4.068) 6.136 11.316 ( 5.909 0.000 -3.926) 7.094 11.407 ( -13.431 -0.000 -3.356) 13.844 11.588 ( -3.121 -0.000 -4.737) 5.673 11.686 ( 3.630 0.000 -11.371) 11.936 11.844 ( -8.166 -0.000 2.320) 8.489 11.944 ( -0.665 -0.000 7.378) 7.408 12.496 ( 0.636 0.000 3.062) 3.127 12.624 ( -2.166 -0.000 -3.591) 4.194 12.964 ( 3.442 0.000 -10.893) 11.424 12.974 ( -0.451 -0.000 4.322) 4.346 13.407 ( 4.169 0.000 -1.175) 4.332 13.553 ( 1.133 0.000 7.942) 8.023 13.913 ( 1.163 0.000 -7.733) 7.820 13.942 ( -13.617 -0.000 8.500) 16.052 13.963 ( -1.206 -0.000 1.669) 2.059 14.202 ( 2.334 0.000 14.694) 14.878 14.764 ( 1.780 0.000 1.056) 2.069 14.877 ( 5.564 0.000 -7.781) 9.565 15.390 ( 5.012 0.000 -3.682) 6.219 15.413 ( 9.460 0.000 -1.566) 9.589 15.752 ( -4.269 -0.000 9.814) 10.702 15.794 ( -1.422 -0.000 0.828) 1.646 16.363 ( -13.065 -0.000 2.498) 13.302 16.371 ( 2.437 0.000 -4.129) 4.795 16.615 ( 11.503 0.000 -2.191) 11.710 17.353 ( -0.048 -0.000 -2.027) 2.028 17.835 ( -2.009 -0.000 0.010) 2.009 18.587 ( -10.906 -0.000 3.182) 11.361 20.328 ( 1.973 0.000 6.337) 6.637 21.673 ( 4.820 0.000 -23.161) 23.658 22.701 ( 0.611 0.000 19.787) 19.797 23.661 ( 1.239 0.000 -1.453) 1.910 24.371 ( 2.088 0.000 -0.685) 2.197 24.491 ( 1.043 0.000 -1.488) 1.817 ======================= Grid point 188 (83/204) ======================= q-point: (-0.45 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 13.918 -2.804 13.854) 19.837 3.117 ( 1.621 15.386 0.200) 15.472 3.570 ( 5.767 -1.018 -12.671) 13.959 3.690 ( -4.224 5.575 -7.414) 10.193 4.464 ( -8.180 1.552 -11.546) 14.235 4.756 ( 1.645 8.815 18.655) 20.698 5.034 ( -5.001 3.242 11.137) 12.631 5.142 ( -11.235 -9.473 -13.336) 19.845 5.727 ( 8.853 15.084 3.473) 17.831 5.858 ( 1.827 5.254 3.253) 6.444 6.071 ( 4.648 -7.258 4.414) 9.684 6.521 ( 0.314 4.105 -3.430) 5.359 6.812 ( -0.185 0.751 -1.979) 2.124 7.421 ( -7.374 5.575 -4.836) 10.433 7.532 ( -3.767 -2.573 1.484) 4.797 7.727 ( -3.361 -7.847 -1.770) 8.718 7.863 ( -0.736 -3.450 -4.984) 6.107 7.992 ( 0.820 -1.888 6.306) 6.633 8.302 ( 7.601 2.682 -1.406) 8.182 8.442 ( 1.232 -0.721 9.382) 9.490 8.792 ( 7.897 2.087 0.624) 8.192 9.168 ( 9.664 -9.366 4.179) 14.092 9.258 ( -4.928 -2.372 0.474) 5.489 9.482 ( 1.750 0.744 -7.883) 8.109 9.590 ( -2.273 -1.687 2.105) 3.527 9.832 ( -4.135 1.369 3.625) 5.667 9.995 ( -3.644 -4.862 2.011) 6.400 10.054 ( -2.435 -2.004 1.703) 3.584 10.630 ( 1.460 4.941 -0.791) 5.213 10.771 ( 0.290 -2.542 1.208) 2.829 10.881 ( -1.935 2.054 -6.204) 6.816 11.133 ( 1.791 5.660 -1.591) 6.146 11.284 ( 1.252 -1.919 -5.362) 5.831 11.425 ( 5.081 -2.806 -9.622) 11.238 11.489 ( -3.527 -2.618 -1.446) 4.625 11.723 ( 3.988 -1.811 -6.091) 7.503 11.818 ( 1.163 -0.368 3.753) 3.946 11.970 ( 0.737 -1.123 3.982) 4.202 12.470 ( -3.902 2.169 2.528) 5.130 12.573 ( -2.631 -0.740 -3.705) 4.604 12.915 ( -3.971 1.607 -4.004) 5.863 12.966 ( -0.529 -1.937 -7.753) 8.009 13.436 ( -0.079 1.437 1.108) 1.816 13.529 ( -5.515 -1.393 -3.202) 6.527 13.842 ( -4.558 -0.915 13.353) 14.140 13.959 ( -2.350 -4.172 -0.855) 4.864 14.011 ( 11.824 -0.438 0.885) 11.865 14.272 ( -0.706 0.550 14.126) 14.154 14.785 ( -0.159 -0.865 0.752) 1.157 14.937 ( 5.292 0.454 -5.160) 7.405 15.435 ( 2.673 1.699 -2.904) 4.297 15.550 ( 5.495 -0.409 -1.850) 5.812 15.692 ( -6.845 1.435 6.170) 9.327 15.752 ( -3.963 -1.381 4.763) 6.348 16.204 ( -4.555 1.199 -0.980) 4.811 16.420 ( 4.459 -0.279 -0.118) 4.469 16.736 ( 1.145 -4.620 -2.592) 5.420 17.205 ( -11.110 -0.478 -12.281) 16.568 17.994 ( 14.890 1.084 12.697) 19.599 18.454 ( -4.786 0.793 -0.384) 4.866 20.354 ( -1.203 2.382 7.020) 7.510 21.658 ( 4.611 -0.560 -21.739) 22.230 22.777 ( -2.207 -1.446 19.994) 20.168 23.661 ( 0.104 1.061 -1.646) 1.961 24.365 ( 0.054 3.607 -0.499) 3.642 24.503 ( -0.881 -3.351 -2.915) 4.528 ======================= Grid point 189 (84/204) ======================= q-point: (-0.36 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( 18.082 2.353 12.077) 21.872 3.103 ( 16.678 17.859 5.359) 25.017 3.275 ( -6.616 31.053 -18.497) 36.745 3.835 ( 14.232 -6.784 -8.773) 18.043 4.355 ( -2.676 -6.599 -6.091) 9.371 4.734 ( 2.153 15.610 18.329) 24.172 4.911 ( -5.614 8.330 4.860) 11.159 5.081 ( -7.223 -12.307 -6.456) 15.663 5.779 ( 5.130 4.096 -1.173) 6.668 5.852 ( 10.920 15.976 11.792) 22.661 6.219 ( 3.585 0.864 -2.453) 4.429 6.453 ( 2.748 3.636 -7.899) 9.120 6.730 ( -5.934 -1.658 7.787) 9.929 7.283 ( -1.548 1.883 -7.207) 7.608 7.481 ( -7.252 -3.690 -4.209) 9.161 7.683 ( -1.682 0.723 -1.966) 2.686 7.923 ( -1.542 -6.237 -0.723) 6.466 8.135 ( 3.409 -12.208 6.112) 14.071 8.355 ( 7.356 3.373 -5.354) 9.703 8.510 ( -0.965 -2.206 10.137) 10.419 8.880 ( 6.503 4.297 3.359) 8.487 9.152 ( -8.378 -1.768 4.779) 9.806 9.366 ( 3.341 -0.553 0.973) 3.524 9.616 ( 11.469 -7.596 -4.958) 14.623 9.640 ( 3.216 -2.905 -0.286) 4.344 9.840 ( 4.195 -3.212 1.884) 5.609 9.979 ( -3.922 -2.792 -0.034) 4.814 10.055 ( -2.290 -5.285 1.458) 5.941 10.576 ( -2.965 4.905 1.327) 5.883 10.726 ( -1.178 -1.576 -6.141) 6.449 10.870 ( 2.973 4.003 -0.673) 5.031 11.121 ( 1.470 2.483 -0.081) 2.886 11.328 ( -3.334 -1.371 -4.154) 5.500 11.398 ( 7.820 -3.006 -6.286) 10.474 11.641 ( 13.760 -0.643 -10.901) 17.566 11.768 ( -0.446 -2.930 -2.000) 3.575 11.890 ( 4.236 -1.999 5.244) 7.031 12.032 ( 4.090 -2.355 -1.676) 5.008 12.375 ( -5.621 3.007 7.666) 9.970 12.508 ( -5.980 -1.574 -4.783) 7.818 12.796 ( -7.121 -0.128 -3.712) 8.032 12.945 ( 0.785 0.027 -4.210) 4.283 13.382 ( -4.892 2.261 2.604) 5.985 13.482 ( 0.901 -3.613 -5.765) 6.863 13.851 ( -2.179 -0.583 6.603) 6.978 13.971 ( -1.762 -6.039 0.414) 6.304 14.234 ( 7.951 -0.436 6.824) 10.487 14.313 ( 2.951 -1.597 8.643) 9.272 14.790 ( 0.072 -0.534 0.743) 0.918 14.988 ( 3.091 0.493 -1.690) 3.557 15.396 ( -3.023 3.383 -3.941) 6.010 15.494 ( -10.716 1.273 2.464) 11.069 15.606 ( -2.884 1.749 3.769) 5.057 15.745 ( -1.604 1.027 -0.122) 1.909 16.199 ( 2.424 -2.281 -2.424) 4.117 16.505 ( 4.767 -0.586 1.014) 4.909 16.748 ( -5.736 -9.052 1.937) 10.890 17.017 ( -6.105 -2.901 -10.587) 12.561 18.290 ( 15.927 2.792 14.135) 21.477 18.441 ( 5.287 0.102 -4.464) 6.920 20.296 ( -5.484 4.759 8.128) 10.899 21.654 ( 4.519 -1.427 -20.757) 21.291 22.818 ( -5.467 -1.887 20.131) 20.945 23.631 ( -0.850 1.936 -2.016) 2.921 24.311 ( -1.532 4.249 0.062) 4.517 24.492 ( -2.855 -3.351 -4.619) 6.381 ======================= Grid point 190 (85/204) ======================= q-point: (-0.27 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -6.610 36.333 -20.383) 42.181 3.160 ( 18.719 20.142 4.437) 27.853 3.355 ( 21.103 8.249 5.498) 23.315 4.037 ( 10.784 7.336 -10.082) 16.485 4.364 ( -7.073 -4.394 2.137) 8.597 4.673 ( -0.075 7.188 15.721) 17.286 4.856 ( 11.814 13.925 8.647) 20.205 5.080 ( -3.079 -10.659 -3.934) 11.772 5.741 ( -6.258 -2.083 0.581) 6.621 6.038 ( 20.024 13.524 10.569) 26.373 6.178 ( 1.918 3.959 -4.579) 6.350 6.391 ( 1.513 3.475 -11.113) 11.741 6.906 ( 9.610 -8.001 13.394) 18.324 7.211 ( -8.407 -8.319 -11.171) 16.269 7.419 ( -0.445 -3.154 0.557) 3.234 7.670 ( 5.287 3.128 -6.988) 9.304 7.873 ( -7.738 -0.892 0.481) 7.804 8.319 ( 1.798 -10.793 3.343) 11.441 8.477 ( 11.588 -0.462 -3.844) 12.218 8.542 ( -2.419 -4.386 5.162) 7.193 8.952 ( 6.078 4.640 4.944) 9.105 9.054 ( -6.607 3.482 6.287) 9.762 9.391 ( -0.225 0.136 -0.571) 0.629 9.688 ( 0.250 -2.096 -4.993) 5.421 9.759 ( 5.574 -0.680 -3.270) 6.498 9.946 ( 1.111 -0.864 -4.987) 5.181 9.999 ( -2.395 -4.213 3.204) 5.810 10.175 ( 11.066 -11.708 4.601) 16.754 10.488 ( -2.857 1.795 0.286) 3.386 10.747 ( 3.332 -0.582 -3.136) 4.613 10.866 ( 1.545 3.291 -0.598) 3.684 11.106 ( -1.514 -0.654 -1.204) 2.042 11.287 ( -0.329 -0.855 -2.656) 2.810 11.573 ( 9.904 -2.462 -8.719) 13.423 11.707 ( -2.575 -0.236 -3.320) 4.208 11.809 ( 9.648 1.736 -12.180) 15.635 11.995 ( 1.386 -2.216 9.637) 9.985 12.132 ( 5.462 -2.177 -0.863) 5.943 12.309 ( -5.650 4.016 2.169) 7.263 12.407 ( -1.888 -4.315 1.601) 4.974 12.676 ( -7.431 -2.580 -4.083) 8.863 12.986 ( 1.969 -2.483 4.030) 5.127 13.300 ( -1.921 2.541 2.463) 4.027 13.571 ( 7.858 -3.851 -6.828) 11.100 13.828 ( -2.890 -0.052 1.988) 3.508 14.014 ( -1.504 -6.474 1.465) 6.806 14.265 ( -2.341 1.817 8.208) 8.727 14.476 ( 4.797 -3.826 3.603) 7.116 14.828 ( 3.953 0.839 2.321) 4.661 14.994 ( -2.360 0.957 1.885) 3.168 15.262 ( -5.287 4.547 -3.406) 7.761 15.301 ( -10.837 1.559 -1.103) 11.003 15.539 ( -7.158 0.651 3.785) 8.123 15.676 ( -0.961 3.913 -3.645) 5.434 16.212 ( -2.686 -2.955 -5.326) 6.656 16.570 ( -1.740 -4.356 0.418) 4.710 16.794 ( -0.523 -8.170 6.172) 10.253 17.047 ( 6.848 -9.263 -7.276) 13.625 18.517 ( 10.194 4.713 8.162) 13.884 18.607 ( 14.310 -4.507 0.844) 15.026 20.164 ( -7.753 5.924 7.678) 12.416 21.659 ( 4.079 -2.393 -19.265) 19.837 22.788 ( -9.684 0.898 19.294) 21.607 23.586 ( -0.962 2.131 -1.900) 3.012 24.243 ( -1.995 3.573 0.582) 4.134 24.443 ( -3.667 -2.143 -5.863) 7.240 ======================= Grid point 191 (86/204) ======================= q-point: (-0.18 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -0.245 28.603 -15.062) 32.328 3.212 ( 10.963 21.812 -1.733) 24.474 3.519 ( 9.831 16.587 -0.231) 19.283 3.933 ( 5.758 19.456 3.221) 20.544 4.309 ( -3.909 -2.020 2.807) 5.219 4.731 ( -2.551 -6.550 1.846) 7.267 5.010 ( 16.262 7.922 1.941) 18.193 5.171 ( 7.279 5.196 6.736) 11.196 5.695 ( -4.592 -9.738 5.066) 11.899 6.126 ( 6.625 5.434 -0.577) 8.588 6.336 ( 14.657 3.516 2.408) 15.264 6.449 ( 9.999 -2.996 -2.851) 10.820 6.950 ( -15.546 -7.005 -3.157) 17.341 7.185 ( 2.773 -0.145 -10.652) 11.008 7.596 ( 9.255 -11.762 11.372) 18.797 7.745 ( -1.854 2.435 2.089) 3.705 7.784 ( 10.840 -0.873 -9.130) 14.200 8.434 ( -0.759 -8.358 4.707) 9.623 8.563 ( -0.932 -3.642 -2.015) 4.265 8.666 ( 11.560 -1.265 -3.286) 12.084 8.913 ( -6.754 5.689 1.365) 8.936 9.036 ( 6.602 3.596 6.642) 10.032 9.324 ( -6.505 2.359 -1.323) 7.044 9.666 ( -0.780 -1.008 -6.471) 6.596 9.827 ( 3.496 1.105 0.909) 3.778 9.960 ( -4.185 -5.561 -3.321) 7.712 9.983 ( 3.892 3.529 0.378) 5.267 10.466 ( 2.288 -0.462 4.028) 4.656 10.514 ( 9.436 -11.330 3.180) 15.084 10.777 ( 0.915 0.690 -1.285) 1.722 10.860 ( 2.651 2.444 -1.969) 4.108 11.092 ( -0.701 -1.652 -3.969) 4.356 11.284 ( -1.123 -1.585 -3.745) 4.219 11.547 ( -6.353 -3.131 -6.176) 9.398 11.687 ( -1.494 5.263 -0.156) 5.473 11.905 ( 9.578 1.813 -5.156) 11.027 12.094 ( 2.375 -2.195 8.461) 9.058 12.128 ( -2.523 1.201 -5.770) 6.411 12.239 ( 1.682 1.029 1.394) 2.415 12.480 ( -2.527 -3.361 -1.659) 4.520 12.645 ( 3.533 -6.935 0.059) 7.783 13.017 ( -4.393 -3.112 7.615) 9.326 13.332 ( 5.834 2.307 2.594) 6.789 13.719 ( 6.471 -3.761 -12.686) 14.729 13.800 ( 1.066 -0.761 7.094) 7.214 14.065 ( 0.238 -4.657 1.547) 4.913 14.217 ( -4.909 0.421 3.318) 5.940 14.564 ( 3.511 0.579 3.728) 5.153 14.821 ( -6.342 6.206 6.320) 10.894 14.927 ( -3.061 1.095 -0.509) 3.290 15.132 ( -7.075 -0.584 -1.835) 7.332 15.163 ( -2.576 1.239 -0.047) 2.859 15.423 ( -6.599 0.031 0.541) 6.621 15.619 ( -0.674 2.901 -3.415) 4.532 16.171 ( -3.049 -4.054 -4.582) 6.836 16.537 ( -5.634 -3.089 0.113) 6.426 16.926 ( 3.357 -5.906 5.952) 9.032 17.270 ( 10.321 -11.889 -11.908) 19.740 18.613 ( 5.071 6.551 6.235) 10.368 18.939 ( 10.930 -12.432 10.704) 19.713 20.033 ( -2.200 4.350 0.890) 4.955 21.674 ( 3.249 -3.673 -15.939) 16.676 22.625 ( -14.810 7.590 15.241) 22.566 23.555 ( -0.155 1.191 0.033) 1.201 24.191 ( -1.038 2.190 0.595) 2.495 24.381 ( -2.550 -0.760 -5.597) 6.197 ======================= Grid point 192 (87/204) ======================= q-point: (-0.09 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 7.636 10.743 -4.323) 13.871 3.053 ( -0.175 16.644 -8.365) 18.629 3.451 ( 4.319 16.546 10.481) 20.057 3.964 ( 10.867 11.525 -0.462) 15.847 4.271 ( -2.732 0.059 1.408) 3.074 4.730 ( -2.614 -5.780 -5.567) 8.440 5.157 ( 5.139 0.665 2.671) 5.829 5.202 ( 8.553 16.557 3.508) 18.963 5.831 ( 6.418 -6.070 -1.398) 8.944 6.233 ( 7.128 1.079 8.256) 10.960 6.526 ( 5.403 -9.641 1.750) 11.190 6.614 ( 4.933 2.442 -3.235) 6.385 6.736 ( -12.038 -5.939 -3.804) 13.951 7.168 ( 4.205 1.138 -11.549) 12.343 7.672 ( -2.241 0.082 7.322) 7.658 7.912 ( 11.118 -3.840 2.628) 12.052 8.013 ( 9.977 -5.337 -3.513) 11.848 8.517 ( -3.719 -10.415 3.322) 11.547 8.581 ( 4.086 -1.457 -1.223) 4.508 8.753 ( -3.754 6.837 -5.337) 9.451 8.817 ( 7.521 -0.016 -4.175) 8.602 9.117 ( 3.262 8.597 1.909) 9.391 9.177 ( -5.498 -2.244 2.550) 6.463 9.638 ( -0.613 0.529 -3.481) 3.574 9.830 ( -1.013 0.601 -4.788) 4.930 9.954 ( -3.550 -6.103 6.702) 9.734 10.043 ( 6.730 2.648 2.694) 7.718 10.543 ( 4.343 -1.913 2.339) 5.291 10.692 ( -0.521 -4.122 0.496) 4.184 10.753 ( -1.448 2.476 0.720) 2.957 10.946 ( 9.192 -2.340 -0.596) 9.504 11.068 ( -0.655 -1.345 -6.171) 6.350 11.236 ( -4.869 -3.111 -4.139) 7.108 11.494 ( -2.116 -0.313 1.196) 2.451 11.588 ( -1.552 4.389 0.529) 4.686 11.924 ( -4.902 1.868 3.381) 6.241 12.060 ( -5.441 -1.607 -1.212) 5.801 12.173 ( 4.128 3.342 -3.046) 6.123 12.299 ( 9.152 1.899 -4.144) 10.225 12.466 ( -0.383 -6.473 -2.193) 6.846 12.784 ( 2.634 -2.820 3.025) 4.903 13.042 ( 0.317 -4.119 7.318) 8.403 13.372 ( 0.186 3.473 1.517) 3.795 13.676 ( -2.210 0.401 -7.000) 7.351 13.960 ( 1.197 -2.839 2.153) 3.759 14.121 ( 5.990 -0.848 0.446) 6.066 14.180 ( -0.392 -4.918 -0.441) 4.953 14.569 ( -3.740 6.743 2.733) 8.181 14.713 ( -1.091 0.987 10.107) 10.214 14.820 ( -5.433 1.873 -1.842) 6.035 15.079 ( -1.046 1.191 -1.160) 1.965 15.134 ( -2.599 -2.011 2.165) 3.936 15.339 ( -4.559 -0.297 1.502) 4.810 15.571 ( -0.082 1.874 -3.603) 4.062 16.167 ( -0.580 -3.930 -2.981) 4.967 16.471 ( -4.518 -0.086 0.412) 4.537 17.029 ( 0.604 -3.612 3.328) 4.949 17.483 ( 10.944 -9.696 -19.096) 24.051 18.620 ( 1.408 5.576 5.006) 7.625 19.131 ( -12.490 -7.069 26.773) 30.377 20.126 ( 17.159 -6.858 -13.334) 22.787 21.710 ( 2.270 -5.506 -9.654) 11.343 22.301 ( -17.288 13.686 7.879) 23.415 23.554 ( 0.099 0.411 2.486) 2.522 24.174 ( 0.522 0.934 0.286) 1.107 24.337 ( -0.339 0.702 -3.857) 3.935 ======================= Grid point 199 (88/204) ======================= q-point: (-0.45 0.55 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.977 ( 19.817 0.000 23.581) 30.802 3.348 ( 16.534 0.000 0.330) 16.538 3.630 ( 1.894 0.000 -15.377) 15.493 3.721 ( 11.118 0.000 -2.812) 11.468 4.262 ( -9.644 -0.000 -14.580) 17.481 4.834 ( -8.094 -0.000 -8.790) 11.949 4.915 ( 2.864 0.000 11.740) 12.084 5.053 ( -1.571 -0.000 9.880) 10.004 5.815 ( -1.055 -0.000 -2.798) 2.990 6.141 ( 13.304 0.000 0.030) 13.304 6.149 ( 10.559 0.000 10.605) 14.965 6.455 ( -8.547 -0.000 -0.782) 8.583 6.752 ( -5.095 -0.000 2.465) 5.660 7.307 ( -12.419 -0.000 -14.099) 18.788 7.450 ( 2.611 0.000 -1.779) 3.159 7.686 ( 0.760 0.000 -0.266) 0.805 7.847 ( 3.395 0.000 -0.922) 3.518 7.977 ( -4.319 -0.000 9.734) 10.649 8.401 ( 4.785 0.000 -7.562) 8.949 8.492 ( 2.795 0.000 6.886) 7.432 8.977 ( 7.499 0.000 8.477) 11.317 9.095 ( -6.056 -0.000 4.427) 7.502 9.359 ( 9.380 0.000 10.459) 14.049 9.498 ( 4.835 0.000 -11.605) 12.572 9.627 ( 6.971 0.000 -4.489) 8.291 9.815 ( 0.733 0.000 3.029) 3.116 9.971 ( 1.500 0.000 2.649) 3.044 9.981 ( -4.919 -0.000 -0.276) 4.927 10.660 ( -8.054 -0.000 -2.643) 8.477 10.673 ( 2.247 0.000 -2.427) 3.308 10.920 ( 2.102 0.000 0.038) 2.103 11.167 ( -1.857 -0.000 -1.357) 2.300 11.310 ( -3.929 -0.000 -3.361) 5.171 11.361 ( 13.448 0.000 -6.873) 15.102 11.627 ( 14.822 0.000 -8.372) 17.023 11.732 ( -0.135 -0.000 -3.621) 3.623 11.878 ( 3.163 0.000 5.975) 6.761 12.002 ( 4.247 0.000 -2.923) 5.156 12.408 ( -6.503 -0.000 6.107) 8.921 12.487 ( -5.613 -0.000 -4.123) 6.965 12.801 ( -8.043 -0.000 -3.635) 8.826 12.943 ( 1.209 0.000 -4.845) 4.993 13.417 ( -2.595 -0.000 -1.024) 2.790 13.432 ( -1.947 -0.000 -3.776) 4.248 13.850 ( -0.844 -0.000 9.909) 9.945 13.898 ( -2.103 -0.000 -2.012) 2.910 14.225 ( 12.221 0.000 4.260) 12.942 14.304 ( -2.372 -0.000 12.335) 12.561 14.783 ( 0.449 0.000 1.073) 1.163 14.993 ( 2.965 0.000 -1.713) 3.424 15.425 ( -3.471 -0.000 -4.824) 5.943 15.506 ( -8.913 -0.000 2.995) 9.402 15.634 ( -5.614 -0.000 6.224) 8.382 15.743 ( 1.089 0.000 0.366) 1.149 16.176 ( 2.009 0.000 -6.033) 6.359 16.503 ( 4.141 0.000 1.352) 4.356 16.660 ( -5.562 -0.000 2.808) 6.231 16.988 ( -7.419 -0.000 -11.205) 13.439 18.320 ( 16.381 0.000 14.100) 21.614 18.442 ( 4.265 0.000 -4.830) 6.444 20.346 ( -5.147 -0.000 7.102) 8.771 21.637 ( 4.506 0.000 -22.455) 22.903 22.799 ( -4.705 -0.000 21.628) 22.134 23.651 ( -0.877 -0.000 -2.324) 2.484 24.369 ( -1.852 -0.000 -0.526) 1.925 24.442 ( -2.740 -0.000 -3.427) 4.387 ======================= Grid point 201 (89/204) ======================= q-point: (-0.36 0.55 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -6.139 22.002 -19.125) 29.792 3.387 ( 17.962 5.887 13.256) 23.087 3.621 ( 23.770 14.316 7.183) 28.663 4.003 ( 16.026 -7.295 0.351) 17.612 4.150 ( -6.186 -12.893 -9.025) 16.910 4.813 ( 5.108 -3.875 -2.759) 6.980 4.955 ( -3.692 7.633 8.154) 11.764 5.045 ( 1.513 3.050 8.861) 9.493 5.737 ( -6.978 0.716 -2.290) 7.379 6.124 ( -11.798 -3.162 -3.223) 12.632 6.313 ( 14.707 12.753 8.716) 21.328 6.498 ( 6.403 -2.412 -3.578) 7.721 6.800 ( 11.224 -0.752 13.020) 17.206 7.039 ( -15.052 -6.187 -17.155) 23.646 7.472 ( 3.970 5.768 -3.002) 7.618 7.692 ( 2.522 0.711 -4.512) 5.217 7.857 ( -5.051 -0.964 2.618) 5.770 8.045 ( 1.110 -12.302 5.146) 13.381 8.454 ( 6.713 -0.160 -7.084) 9.761 8.572 ( 5.153 2.121 5.083) 7.542 9.047 ( 2.907 3.691 5.933) 7.568 9.096 ( -0.679 0.122 9.940) 9.964 9.436 ( 1.764 6.072 0.832) 6.378 9.598 ( 0.455 -7.619 1.464) 7.772 9.762 ( 13.618 0.491 -12.257) 18.328 9.884 ( -3.185 -3.030 9.317) 10.302 9.949 ( 9.586 -2.014 -7.103) 12.099 10.033 ( 3.257 -2.097 1.973) 4.347 10.528 ( -4.946 1.594 -2.140) 5.619 10.719 ( 3.574 -1.364 -3.057) 4.897 10.922 ( -0.347 1.549 0.182) 1.597 11.106 ( -3.400 0.255 -0.936) 3.536 11.282 ( 0.190 0.146 -0.645) 0.688 11.546 ( 7.567 -0.361 -12.490) 14.608 11.701 ( 2.150 0.011 -1.870) 2.849 11.831 ( 12.933 0.109 -7.707) 15.056 11.963 ( 3.869 -0.939 5.854) 7.079 12.087 ( 6.742 -1.520 -3.382) 7.694 12.346 ( -4.677 0.138 11.363) 12.289 12.358 ( -8.008 -0.931 -5.590) 9.810 12.650 ( -8.222 -0.194 -4.523) 9.386 12.953 ( -0.383 -0.843 4.329) 4.427 13.361 ( 0.389 3.501 -1.781) 3.947 13.482 ( 6.699 -4.496 -5.166) 9.580 13.837 ( -2.368 1.374 1.400) 3.075 13.898 ( -1.883 -4.735 1.823) 5.412 14.297 ( -3.255 1.143 10.115) 10.687 14.411 ( 6.635 -2.072 5.621) 8.940 14.823 ( 3.720 -0.448 1.049) 3.891 15.006 ( -1.657 0.275 1.358) 2.160 15.299 ( -8.236 0.425 -6.426) 10.455 15.357 ( -9.151 2.178 3.469) 10.025 15.547 ( -7.834 0.263 2.371) 8.189 15.720 ( -2.883 0.824 -1.653) 3.424 16.179 ( 0.282 -0.566 -8.647) 8.670 16.495 ( -4.553 -2.370 2.652) 5.777 16.699 ( 4.108 -1.993 9.962) 10.958 16.930 ( 4.531 -2.875 -10.139) 11.471 18.547 ( 11.129 -0.764 -6.665) 12.995 18.597 ( 11.330 1.640 13.401) 17.625 20.251 ( -8.363 2.464 6.915) 11.128 21.619 ( 4.159 -1.261 -22.647) 23.060 22.805 ( -5.884 0.564 22.550) 23.312 23.616 ( -1.388 0.818 -3.219) 3.600 24.307 ( -3.153 2.853 -0.257) 4.260 24.388 ( -4.032 -2.815 -3.910) 6.283 ======================= Grid point 202 (90/204) ======================= q-point: (-0.27 0.55 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -8.579 27.964 -21.110) 36.072 3.602 ( 13.710 15.224 -2.165) 20.602 3.847 ( 15.383 16.571 11.118) 25.196 4.171 ( -4.438 -11.030 0.836) 11.919 4.251 ( 8.992 6.968 1.773) 11.513 4.724 ( -8.993 9.378 10.129) 16.475 5.028 ( 11.256 -7.142 -3.963) 13.908 5.150 ( 7.061 -2.444 9.654) 12.208 5.596 ( -8.667 -1.766 2.078) 9.086 6.021 ( -8.352 -10.767 0.080) 13.627 6.411 ( 6.564 3.164 -6.807) 9.972 6.616 ( 16.528 13.302 7.667) 22.559 6.796 ( -14.532 -7.887 -15.485) 22.653 7.131 ( 13.071 -4.508 3.704) 14.314 7.486 ( 6.115 1.345 3.911) 7.383 7.754 ( 2.165 -0.792 -3.637) 4.306 7.796 ( 4.149 0.795 -2.854) 5.098 8.192 ( -1.058 -13.081 1.747) 13.240 8.538 ( 5.037 0.538 -1.547) 5.297 8.679 ( 8.985 0.674 -1.409) 9.119 9.056 ( 0.290 6.869 3.269) 7.613 9.110 ( 0.713 3.347 10.272) 10.827 9.395 ( 0.479 5.135 -0.791) 5.217 9.617 ( -2.435 -3.519 -4.175) 5.979 9.872 ( -2.581 -2.809 -1.133) 3.979 9.875 ( 7.053 3.508 -3.621) 8.670 10.069 ( 6.166 3.832 1.716) 7.460 10.269 ( 12.686 -12.293 0.036) 17.665 10.469 ( -0.800 0.132 1.290) 1.524 10.773 ( 3.276 -0.460 -4.557) 5.632 10.902 ( 0.698 1.315 -0.436) 1.552 11.069 ( -0.797 -0.712 -2.013) 2.279 11.275 ( -1.645 0.645 -1.163) 2.115 11.470 ( -6.786 -4.134 -9.118) 12.095 11.776 ( 2.696 4.135 -0.338) 4.948 11.947 ( 3.957 0.347 0.419) 3.995 12.065 ( 8.557 1.284 1.815) 8.841 12.147 ( -4.423 0.085 -2.215) 4.948 12.243 ( -0.330 -0.780 -0.041) 0.848 12.420 ( 5.344 -3.115 2.467) 6.660 12.534 ( -2.852 -3.554 -3.940) 6.024 12.970 ( -2.848 -1.666 8.965) 9.553 13.384 ( 6.695 3.390 1.168) 7.594 13.639 ( 9.086 -4.293 -11.729) 15.445 13.791 ( -2.664 -0.078 2.489) 3.647 13.927 ( -1.922 -7.490 2.352) 8.082 14.249 ( -5.460 1.851 7.069) 9.122 14.548 ( 5.447 -1.585 7.330) 9.269 14.884 ( 0.305 -0.065 -0.405) 0.511 14.928 ( -7.456 0.648 1.704) 7.675 15.125 ( -9.115 -0.246 -3.951) 9.938 15.224 ( -4.431 3.796 0.991) 5.918 15.408 ( -9.352 -1.283 -0.081) 9.440 15.649 ( -3.702 0.267 -2.566) 4.512 16.136 ( -0.256 0.235 -7.272) 7.280 16.484 ( -2.665 -2.109 6.495) 7.331 16.842 ( 4.954 -2.660 9.523) 11.059 17.079 ( 12.437 -6.957 -13.938) 19.934 18.716 ( 6.800 3.201 3.861) 8.450 18.781 ( 9.679 -3.898 6.361) 12.220 20.114 ( -6.660 3.247 3.687) 8.276 21.610 ( 3.583 -2.567 -20.869) 21.329 22.764 ( -7.499 5.909 21.126) 23.183 23.573 ( -1.086 0.472 -3.212) 3.423 24.229 ( -3.231 1.885 -0.058) 3.741 24.335 ( -4.018 -3.177 -3.860) 6.414 ======================= Grid point 203 (91/204) ======================= q-point: (-0.18 0.55 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -3.405 21.123 -13.826) 25.474 3.490 ( 0.171 24.356 -8.371) 25.755 3.783 ( -6.595 15.478 9.406) 19.275 4.199 ( -1.478 -2.524 -3.423) 4.503 4.242 ( 5.148 13.067 12.579) 18.854 4.666 ( 1.796 0.124 0.300) 1.825 5.107 ( -4.214 -5.417 0.770) 6.906 5.427 ( 7.480 3.994 1.347) 8.586 5.604 ( 6.835 -13.894 8.448) 17.639 6.075 ( -2.169 -15.845 7.364) 17.606 6.455 ( 5.477 0.791 -9.194) 10.731 6.576 ( -10.646 -4.360 -16.187) 19.859 6.786 ( 10.749 9.300 10.162) 17.473 7.203 ( 1.344 1.530 -14.508) 14.650 7.670 ( -1.623 -0.338 5.110) 5.372 7.784 ( 13.440 -4.787 9.610) 17.201 7.993 ( 16.007 0.190 -6.802) 17.393 8.287 ( -2.496 -11.350 1.947) 11.783 8.593 ( 4.586 1.869 -0.699) 5.002 8.774 ( 2.655 -1.065 -8.408) 8.881 8.990 ( 4.481 12.347 2.537) 13.378 9.128 ( -3.134 -1.422 5.981) 6.900 9.330 ( 1.687 10.706 1.492) 10.940 9.596 ( -2.384 -4.043 -3.725) 5.993 9.819 ( -3.999 -1.388 -6.560) 7.808 9.928 ( 3.731 3.014 4.085) 6.300 10.138 ( 7.153 5.616 2.943) 9.559 10.510 ( 3.632 -1.758 1.743) 4.395 10.530 ( 2.802 -10.369 2.127) 10.949 10.791 ( 2.008 1.266 -3.225) 4.005 10.946 ( 6.747 0.858 -0.954) 6.868 11.059 ( 0.520 0.381 -5.286) 5.326 11.185 ( -5.079 -1.369 -5.778) 7.814 11.441 ( -1.431 -4.735 0.961) 5.039 11.689 ( -4.930 5.264 1.742) 7.419 11.945 ( -7.170 -0.281 8.609) 11.207 12.023 ( -6.896 -1.032 -4.098) 8.088 12.210 ( 6.440 -0.202 2.862) 7.050 12.324 ( 10.077 0.738 -3.948) 10.848 12.403 ( -1.220 -0.053 -5.736) 5.864 12.713 ( 11.352 -4.117 1.156) 12.130 12.983 ( -1.218 -1.553 9.723) 9.922 13.447 ( 1.794 4.176 2.527) 5.200 13.665 ( -0.065 -1.044 -12.283) 12.328 13.858 ( 5.203 -5.956 1.367) 8.026 14.026 ( 1.215 -9.332 3.534) 10.052 14.149 ( -6.397 1.963 2.645) 7.195 14.662 ( 2.670 1.787 3.595) 4.822 14.742 ( -9.792 2.550 5.671) 11.599 14.827 ( -6.813 -0.979 -6.311) 9.338 15.059 ( -0.533 -2.658 0.879) 2.850 15.146 ( -2.439 2.694 0.609) 3.685 15.308 ( -5.347 -2.462 3.120) 6.663 15.583 ( -3.191 -0.662 -3.001) 4.430 16.135 ( 3.880 0.553 -4.658) 6.088 16.481 ( -2.329 0.717 5.885) 6.370 16.969 ( 3.539 -2.001 6.609) 7.759 17.305 ( 14.293 -8.132 -20.123) 25.988 18.714 ( -3.556 3.872 7.117) 8.848 18.999 ( 1.534 -5.447 15.290) 16.304 20.073 ( 6.948 -0.161 -6.382) 9.436 21.616 ( 2.985 -3.796 -16.224) 16.927 22.591 ( -10.939 14.996 15.027) 23.882 23.558 ( 0.043 -0.573 -0.318) 0.657 24.177 ( -1.918 -0.306 -0.135) 1.947 24.299 ( -2.719 -3.757 -3.054) 5.553 ======================= Grid point 204 (92/204) ======================= q-point: (-0.09 -0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 1.503 7.104 -1.748) 7.468 3.183 ( -3.640 19.847 -3.620) 20.500 3.518 ( -15.619 4.202 3.618) 16.574 4.174 ( 1.604 12.740 0.290) 12.844 4.258 ( 2.946 -1.690 5.412) 6.389 4.703 ( 2.936 1.013 -2.723) 4.131 5.079 ( -8.603 -8.545 2.314) 12.345 5.351 ( -5.077 3.097 -2.084) 6.302 5.930 ( 10.739 -3.932 -2.703) 11.751 6.279 ( -2.861 -7.605 13.156) 15.462 6.404 ( 1.004 -5.533 -9.326) 10.890 6.531 ( 3.094 -5.051 -3.437) 6.849 6.837 ( 2.150 6.051 3.979) 7.555 7.119 ( -2.224 -0.920 -17.848) 18.009 7.673 ( -0.726 -2.351 7.481) 7.876 8.066 ( 9.204 1.770 6.107) 11.186 8.125 ( 5.297 0.592 -7.558) 9.248 8.364 ( -0.134 -5.134 -0.522) 5.162 8.689 ( 6.818 -1.716 5.801) 9.115 8.727 ( 1.035 2.493 -12.488) 12.777 8.965 ( 3.089 8.458 -1.922) 9.207 9.055 ( -7.310 -0.339 2.838) 7.849 9.286 ( 2.147 8.346 1.805) 8.805 9.576 ( -3.719 -2.768 -1.674) 4.929 9.773 ( 0.246 -2.999 -3.739) 4.799 9.961 ( 1.533 4.009 7.379) 8.536 10.223 ( 6.533 3.909 7.495) 10.683 10.551 ( -2.168 -2.872 -5.146) 6.279 10.633 ( 2.931 -4.270 3.416) 6.204 10.784 ( 0.587 3.747 0.324) 3.807 10.972 ( -2.315 0.316 -3.567) 4.264 11.077 ( 2.452 -0.574 -2.215) 3.354 11.229 ( 11.477 -2.878 -2.946) 12.193 11.457 ( -2.349 -1.324 0.195) 2.703 11.607 ( -0.757 1.569 1.723) 2.450 11.807 ( -12.846 0.823 10.765) 16.781 11.938 ( -4.724 -3.355 -3.263) 6.650 12.276 ( 3.694 2.684 -2.611) 5.260 12.393 ( 0.699 -3.900 -2.527) 4.700 12.492 ( 12.142 3.107 -2.103) 12.709 12.858 ( 5.124 2.513 1.491) 5.898 13.070 ( 3.068 -3.152 9.559) 10.523 13.353 ( -5.987 4.864 -3.898) 8.643 13.650 ( 1.172 -0.799 -3.752) 4.011 13.930 ( -3.569 2.231 -3.344) 5.376 14.106 ( 0.207 -10.825 1.773) 10.971 14.157 ( 2.515 -5.810 0.722) 6.372 14.554 ( -4.742 4.949 1.086) 6.940 14.609 ( -11.603 -4.591 -0.761) 12.501 14.806 ( 0.504 -0.901 2.085) 2.326 15.045 ( -6.152 2.267 -4.139) 7.754 15.131 ( 4.457 -1.086 5.636) 7.267 15.338 ( 3.826 -0.637 7.840) 8.747 15.542 ( -1.728 -1.646 -2.539) 3.485 16.204 ( 7.290 1.574 -2.850) 7.984 16.441 ( -3.079 2.378 4.924) 6.275 17.045 ( 2.684 0.944 2.618) 3.866 17.508 ( 13.186 -6.959 -26.116) 30.072 18.630 ( -7.124 -0.351 6.741) 9.815 18.986 ( -14.674 1.416 23.461) 27.708 20.312 ( 21.130 -5.901 -12.272) 25.137 21.656 ( 3.216 -5.440 -8.559) 10.639 22.257 ( -13.059 20.454 6.166) 25.039 23.570 ( 0.041 0.200 2.678) 2.686 24.170 ( -0.612 -1.697 -0.271) 1.824 24.304 ( -0.198 -4.356 -1.697) 4.679 ======================= Grid point 212 (93/204) ======================= q-point: (-0.36 0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( -14.218 -0.000 -25.040) 28.795 3.728 ( 12.325 0.000 -6.643) 14.001 4.016 ( 3.957 0.000 5.907) 7.110 4.149 ( 5.037 0.000 11.094) 12.184 4.175 ( 25.998 0.000 14.950) 29.990 4.910 ( 7.178 0.000 -3.173) 7.848 4.963 ( -10.659 -0.000 4.221) 11.464 5.074 ( 3.534 0.000 8.577) 9.277 5.571 ( -13.168 -0.000 0.006) 13.168 5.889 ( -10.504 -0.000 1.940) 10.682 6.440 ( 1.778 0.000 -9.346) 9.513 6.704 ( -11.028 -0.000 -20.444) 23.229 6.775 ( 17.660 0.000 12.334) 21.541 7.073 ( 15.018 0.000 8.047) 17.039 7.546 ( 1.816 0.000 -3.885) 4.288 7.762 ( -4.590 -0.000 3.656) 5.868 7.771 ( 11.094 0.000 -6.737) 12.979 8.037 ( 2.491 0.000 2.223) 3.339 8.547 ( 7.328 0.000 -3.646) 8.185 8.684 ( 5.104 0.000 0.861) 5.176 9.124 ( -1.585 -0.000 4.693) 4.953 9.150 ( 5.706 0.000 8.949) 10.613 9.495 ( 0.087 0.000 -10.572) 10.572 9.547 ( -1.667 -0.000 9.083) 9.235 9.840 ( -3.087 -0.000 6.844) 7.508 9.951 ( 12.047 0.000 -9.610) 15.411 10.096 ( 12.232 0.000 -5.824) 13.547 10.109 ( 6.459 0.000 2.439) 6.904 10.471 ( -1.814 -0.000 -0.105) 1.817 10.767 ( 4.981 0.000 -4.740) 6.876 10.914 ( -0.319 -0.000 -0.406) 0.516 11.062 ( -1.223 -0.000 -0.576) 1.352 11.291 ( -0.357 -0.000 3.321) 3.340 11.418 ( -8.887 -0.000 -13.749) 16.371 11.839 ( 7.766 0.000 -5.422) 9.471 11.918 ( -3.556 -0.000 10.147) 10.752 12.095 ( 8.721 0.000 -2.150) 8.982 12.173 ( 2.604 0.000 4.360) 5.079 12.207 ( -2.189 -0.000 -9.857) 10.098 12.379 ( 7.373 0.000 6.257) 9.670 12.504 ( -6.625 -0.000 -5.254) 8.456 12.953 ( -2.031 -0.000 9.458) 9.674 13.444 ( 7.243 0.000 -0.859) 7.293 13.571 ( 9.889 0.000 -7.999) 12.720 13.815 ( -2.360 -0.000 0.867) 2.514 13.818 ( -4.864 -0.000 0.747) 4.921 14.270 ( -5.498 -0.000 8.326) 9.978 14.528 ( 6.077 0.000 8.763) 10.664 14.873 ( 1.826 0.000 -3.205) 3.689 14.940 ( -7.898 -0.000 3.374) 8.589 15.122 ( -9.979 -0.000 -4.598) 10.988 15.269 ( -4.697 -0.000 1.138) 4.833 15.390 ( -10.727 -0.000 -1.717) 10.864 15.648 ( -5.130 -0.000 -1.376) 5.311 16.146 ( 0.805 0.000 -8.187) 8.227 16.462 ( -1.049 -0.000 9.546) 9.604 16.817 ( 5.659 0.000 10.246) 11.705 17.008 ( 12.390 0.000 -14.670) 19.202 18.722 ( 13.533 0.000 -3.032) 13.868 18.772 ( 2.626 0.000 11.163) 11.468 20.147 ( -8.054 -0.000 4.319) 9.139 21.583 ( 3.927 0.000 -22.412) 22.753 22.828 ( -3.863 -0.000 23.687) 24.000 23.576 ( -1.929 -0.000 -5.167) 5.515 24.268 ( -3.813 -0.000 0.115) 3.815 24.280 ( -5.110 -0.000 -3.571) 6.235 ======================= Grid point 214 (94/204) ======================= q-point: (-0.27 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -12.847 12.464 -22.131) 28.464 3.785 ( 2.415 0.209 -13.735) 13.947 4.032 ( -6.119 14.657 7.863) 17.723 4.206 ( -0.656 1.176 9.045) 9.145 4.527 ( 4.995 10.674 16.032) 19.897 4.723 ( -2.360 7.426 6.439) 10.108 4.963 ( -6.225 -9.588 2.030) 11.611 5.326 ( 17.545 -8.780 8.052) 21.207 5.397 ( -11.065 -6.599 1.331) 12.952 5.827 ( -3.084 -6.710 1.203) 7.482 6.431 ( 1.305 -1.775 -11.070) 11.287 6.513 ( -4.247 -1.791 -19.768) 20.298 7.003 ( 9.218 9.167 13.325) 18.616 7.226 ( 2.383 0.747 -11.243) 11.517 7.617 ( 6.106 -4.315 6.330) 9.797 7.747 ( 2.699 -0.020 1.185) 2.948 8.008 ( 19.415 1.238 -3.614) 19.788 8.121 ( 4.218 -4.729 1.777) 6.581 8.629 ( 4.456 1.411 -0.506) 4.701 8.747 ( 3.077 -1.340 -5.732) 6.642 9.091 ( -3.771 -0.287 1.837) 4.204 9.246 ( 5.146 9.937 7.646) 13.553 9.453 ( 0.085 -1.929 -6.448) 6.731 9.535 ( -2.414 0.582 1.435) 2.867 9.822 ( -3.188 1.441 6.189) 7.109 10.024 ( 7.543 6.165 -5.751) 11.313 10.219 ( 6.274 2.055 2.861) 7.195 10.301 ( 6.583 -10.865 -4.710) 13.548 10.485 ( 2.079 -0.884 3.876) 4.487 10.828 ( 6.408 1.968 -7.418) 9.998 10.952 ( 5.916 -0.097 0.486) 5.937 11.061 ( 1.075 -0.310 -0.677) 1.308 11.202 ( -6.630 2.884 -9.026) 11.565 11.330 ( -1.968 -5.473 3.100) 6.591 11.790 ( -7.006 5.074 3.544) 9.349 11.892 ( -6.456 -4.491 2.778) 8.341 12.028 ( -9.210 0.681 2.977) 9.703 12.197 ( -0.100 -0.408 6.217) 6.231 12.331 ( 9.710 -0.021 -6.899) 11.912 12.429 ( 5.302 1.772 -7.895) 9.674 12.638 ( 17.073 -2.770 1.830) 17.393 12.975 ( -0.157 0.222 9.400) 9.404 13.540 ( 4.608 4.748 3.748) 7.604 13.649 ( 3.081 -0.546 -19.477) 19.727 13.763 ( -1.017 -3.340 4.303) 5.541 13.836 ( -1.111 -7.540 5.663) 9.495 14.188 ( -7.210 1.360 5.320) 9.063 14.663 ( 3.140 -0.515 6.686) 7.404 14.793 ( -9.139 1.468 -1.490) 9.375 14.805 ( -6.474 -0.456 -4.980) 8.181 15.010 ( -3.067 -1.760 -1.660) 3.907 15.198 ( -3.087 2.080 0.330) 3.737 15.261 ( -5.039 -1.876 3.750) 6.556 15.565 ( -4.580 -0.624 -1.188) 4.773 16.157 ( 5.217 0.952 -5.752) 7.824 16.490 ( -1.594 0.218 9.564) 9.699 16.958 ( 6.974 0.488 8.754) 11.203 17.178 ( 14.895 -4.062 -20.902) 25.985 18.768 ( -6.490 1.468 7.575) 10.082 18.929 ( 7.370 -1.721 9.695) 12.299 20.080 ( 1.922 0.394 -3.172) 3.729 21.565 ( 3.793 -1.325 -19.402) 19.814 22.841 ( -3.037 8.281 21.931) 23.639 23.525 ( -1.900 -2.073 -6.037) 6.660 24.176 ( -4.604 0.449 -1.464) 4.852 24.225 ( -4.174 -2.986 -0.991) 5.227 ======================= Grid point 215 (95/204) ======================= q-point: (-0.18 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -9.048 9.291 -13.111) 18.441 3.584 ( -18.013 10.485 -4.966) 21.426 3.680 ( -13.641 19.805 -1.859) 24.121 4.179 ( -2.706 -4.480 7.204) 8.905 4.419 ( -4.541 6.573 5.398) 9.642 4.740 ( -1.176 2.460 5.785) 6.395 4.971 ( -3.497 -0.616 8.323) 9.049 5.320 ( -5.326 -3.059 -2.961) 6.819 5.791 ( 18.278 -12.499 6.814) 23.168 5.929 ( -0.077 -15.699 7.485) 17.392 6.408 ( -1.884 -3.312 -13.688) 14.208 6.418 ( -0.986 -2.654 -12.876) 13.183 6.991 ( -1.123 8.935 -1.928) 9.209 7.175 ( 0.576 3.896 -6.193) 7.339 7.654 ( -1.090 1.104 1.241) 1.987 7.968 ( 9.461 -10.243 1.437) 14.018 8.174 ( 6.828 4.202 3.424) 8.718 8.347 ( 16.549 1.731 -0.082) 16.639 8.672 ( 2.330 0.008 2.380) 3.331 8.753 ( 1.647 -0.036 -11.760) 11.875 9.031 ( -6.152 -1.312 3.829) 7.364 9.156 ( -3.265 9.034 -5.700) 11.169 9.433 ( -0.856 3.634 -4.848) 6.118 9.542 ( 1.243 0.137 9.112) 9.198 9.756 ( -2.675 2.822 3.326) 5.117 10.066 ( 6.304 5.469 -1.402) 8.462 10.296 ( 3.636 2.648 6.906) 8.242 10.433 ( 0.454 -8.391 -3.535) 9.117 10.576 ( 4.930 -2.208 3.153) 6.255 10.859 ( 4.203 4.355 -4.420) 7.494 10.999 ( -4.121 2.277 -0.313) 4.719 11.087 ( 4.442 1.318 -3.988) 6.113 11.179 ( 11.945 -2.062 -4.827) 13.048 11.388 ( 0.112 -5.149 3.160) 6.042 11.651 ( -5.688 2.616 2.586) 6.774 11.809 ( -10.189 -2.233 5.121) 11.620 11.876 ( -9.307 -0.831 2.644) 9.711 12.239 ( -0.507 -3.499 6.353) 7.271 12.370 ( 2.700 -0.161 -5.126) 5.796 12.583 ( 15.770 4.704 -7.200) 17.963 12.912 ( 13.396 1.821 -0.523) 13.529 13.019 ( 1.254 -0.772 10.909) 11.008 13.465 ( -4.540 6.479 -5.119) 9.423 13.628 ( 0.474 -1.238 -6.196) 6.337 13.849 ( 1.558 -8.983 1.108) 9.184 13.941 ( -2.570 -9.408 7.596) 12.362 14.076 ( -4.610 1.491 -0.751) 4.904 14.531 ( -14.153 -3.044 -8.396) 16.735 14.645 ( -5.382 4.112 0.667) 6.805 14.790 ( -0.071 -0.793 -0.406) 0.894 15.031 ( 0.293 -3.854 2.923) 4.846 15.134 ( -1.474 1.894 0.836) 2.542 15.317 ( 5.726 -1.039 9.200) 10.886 15.509 ( -3.094 -1.391 -1.184) 3.593 16.245 ( 9.248 2.030 -3.486) 10.090 16.472 ( -3.806 0.648 6.668) 7.705 17.090 ( 8.537 3.622 3.814) 10.027 17.376 ( 14.402 -6.399 -25.088) 29.627 18.626 ( -12.188 0.097 5.086) 13.207 19.001 ( -8.432 0.273 22.563) 24.089 20.238 ( 20.325 -2.066 -10.984) 23.195 21.573 ( 3.534 -2.859 -14.196) 14.906 22.692 ( -6.699 21.911 13.541) 26.615 23.533 ( 0.187 -4.943 -1.104) 5.068 24.120 ( -3.069 -3.097 -1.122) 4.503 24.197 ( -3.462 -4.872 -0.438) 5.993 ======================= Grid point 216 (96/204) ======================= q-point: (-0.09 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -6.476 -0.849 1.012) 6.609 3.090 ( -29.655 1.806 -3.814) 29.954 3.298 ( -9.559 13.393 -4.957) 17.184 4.236 ( -9.064 -13.032 7.765) 17.672 4.330 ( 3.597 11.566 1.745) 12.237 4.675 ( -6.856 -1.474 1.592) 7.191 4.936 ( -0.729 3.058 6.425) 7.153 5.201 ( -10.743 1.120 -6.317) 12.513 5.996 ( 3.691 1.421 -7.035) 8.070 6.127 ( -10.202 -14.295 8.134) 19.355 6.407 ( 2.640 -4.906 -5.529) 7.849 6.466 ( 3.301 -14.399 -2.404) 14.966 6.903 ( 3.746 0.700 -10.136) 10.829 7.076 ( -1.178 12.162 -0.382) 12.225 7.649 ( -1.627 -2.355 3.469) 4.498 8.066 ( -4.025 -0.598 -2.861) 4.975 8.288 ( 10.149 3.926 -0.308) 10.886 8.442 ( 2.700 8.891 -4.146) 10.175 8.692 ( -4.630 -0.279 4.376) 6.377 8.750 ( 0.514 -2.734 -10.007) 10.387 8.979 ( -2.530 -1.400 4.755) 5.565 9.035 ( 3.025 3.346 -3.802) 5.899 9.322 ( -3.413 5.360 -8.057) 10.261 9.557 ( 0.581 5.724 5.242) 7.784 9.781 ( 1.824 -2.242 9.776) 10.194 10.097 ( 4.713 5.526 0.662) 7.293 10.323 ( -1.336 2.372 8.254) 8.691 10.488 ( 1.431 -3.260 -1.719) 3.954 10.669 ( 1.359 -0.915 1.330) 2.110 10.853 ( 2.563 4.502 -1.525) 5.400 10.925 ( -0.147 -0.511 -3.589) 3.628 11.129 ( 2.661 2.666 0.537) 3.805 11.411 ( 6.861 -2.073 -0.264) 7.172 11.414 ( 6.056 0.099 -3.649) 7.071 11.603 ( -0.531 -0.671 1.739) 1.938 11.658 ( -10.841 0.458 8.994) 14.094 11.837 ( 0.025 -5.942 -2.814) 6.574 12.282 ( -2.314 -3.492 5.008) 6.529 12.405 ( 4.466 0.880 -5.318) 7.000 12.723 ( 10.721 6.138 -2.575) 12.619 12.977 ( 2.926 5.712 1.652) 6.628 13.133 ( 0.766 -1.600 9.886) 10.044 13.293 ( -3.517 6.023 -8.300) 10.842 13.624 ( -1.932 -2.996 -0.958) 3.692 13.880 ( -4.117 4.681 -6.126) 8.740 13.989 ( -0.836 -12.574 3.452) 13.066 14.093 ( -1.320 -10.128 0.059) 10.214 14.341 ( -10.825 -7.569 -1.424) 13.285 14.569 ( 1.027 4.365 0.449) 4.507 14.785 ( -0.442 -1.393 -2.159) 2.607 14.980 ( -3.742 4.367 -1.352) 5.908 15.214 ( 4.008 -3.395 8.975) 10.399 15.478 ( 5.670 -1.098 5.444) 7.937 15.487 ( 0.558 -1.578 1.470) 2.227 16.323 ( 2.554 3.408 -1.739) 4.601 16.473 ( 4.919 1.033 3.559) 6.159 17.181 ( 7.935 7.476 0.882) 10.938 17.529 ( 11.242 -5.269 -30.962) 33.359 18.461 ( -12.795 -4.295 5.154) 14.447 18.871 ( -15.214 3.597 22.926) 27.749 20.599 ( 24.163 -0.623 -9.073) 25.818 21.638 ( 5.534 -6.526 -7.046) 11.084 22.333 ( -9.956 28.198 4.370) 30.221 23.579 ( 0.196 -1.120 3.032) 3.238 24.120 ( -1.630 -3.921 -0.995) 4.361 24.229 ( -0.362 -9.489 0.562) 9.512 ======================= Grid point 225 (97/204) ======================= q-point: (-0.27 -0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -15.224 -0.000 -19.738) 24.927 3.695 ( -11.587 -0.000 -6.323) 13.200 4.017 ( -15.269 -0.000 -13.371) 20.296 4.035 ( -15.829 -0.000 16.405) 22.796 4.480 ( -9.470 -0.000 5.439) 10.921 4.722 ( -12.411 -0.000 6.216) 13.881 5.043 ( 11.741 0.000 25.481) 28.056 5.316 ( 4.441 0.000 -0.809) 4.514 5.536 ( 8.146 0.000 10.270) 13.108 5.800 ( 7.029 0.000 -5.847) 9.143 6.334 ( -5.894 -0.000 -14.249) 15.420 6.420 ( 1.052 0.000 -15.621) 15.656 7.127 ( -5.493 -0.000 -17.825) 18.653 7.183 ( 1.192 0.000 13.192) 13.245 7.756 ( 10.664 0.000 4.071) 11.415 7.762 ( 0.864 0.000 -3.196) 3.311 8.227 ( 9.332 0.000 2.888) 9.768 8.370 ( 21.682 0.000 0.451) 21.687 8.680 ( 0.509 0.000 1.983) 2.048 8.741 ( 1.255 0.000 -8.884) 8.973 9.016 ( -5.920 -0.000 2.198) 6.315 9.262 ( -10.308 -0.000 -12.545) 16.237 9.441 ( 2.692 0.000 -1.916) 3.304 9.552 ( 3.117 0.000 10.165) 10.633 9.826 ( -3.344 -0.000 11.071) 11.565 10.139 ( 3.220 0.000 -5.918) 6.737 10.306 ( 6.541 0.000 -7.073) 9.634 10.324 ( 4.265 0.000 6.802) 8.028 10.547 ( 3.757 0.000 5.481) 6.646 10.912 ( 3.454 0.000 -7.501) 8.258 11.050 ( -1.573 -0.000 1.290) 2.035 11.096 ( 5.456 0.000 -2.757) 6.114 11.158 ( 11.483 0.000 -8.713) 14.415 11.313 ( 0.662 0.000 7.294) 7.324 11.695 ( -9.322 -0.000 5.792) 10.975 11.753 ( -6.810 -0.000 -2.380) 7.214 11.883 ( -11.858 -0.000 7.365) 13.959 12.200 ( -1.678 -0.000 7.300) 7.490 12.367 ( 3.298 0.000 -4.506) 5.584 12.636 ( 16.814 0.000 -9.404) 19.265 12.914 ( 15.238 0.000 3.682) 15.677 13.036 ( 3.007 0.000 6.398) 7.070 13.570 ( -0.607 -0.000 -21.725) 21.733 13.616 ( -2.194 -0.000 5.498) 5.919 13.712 ( -3.513 -0.000 3.639) 5.058 13.821 ( -1.520 -0.000 11.364) 11.466 14.106 ( -4.811 -0.000 1.034) 4.920 14.498 ( -15.025 -0.000 -11.589) 18.975 14.697 ( -4.940 -0.000 2.134) 5.381 14.777 ( -0.700 -0.000 -3.279) 3.353 14.977 ( 1.510 0.000 4.985) 5.209 15.158 ( -2.514 -0.000 -0.615) 2.588 15.305 ( 6.421 0.000 9.977) 11.865 15.494 ( -3.388 -0.000 -0.597) 3.440 16.267 ( 9.935 0.000 -3.584) 10.562 16.476 ( -4.512 -0.000 6.913) 8.255 17.150 ( 10.749 0.000 9.598) 14.411 17.290 ( 14.687 0.000 -29.394) 32.859 18.629 ( -13.621 -0.000 3.376) 14.033 19.003 ( -6.487 -0.000 23.033) 23.929 20.219 ( 19.583 0.000 -10.375) 22.161 21.545 ( 3.522 0.000 -16.063) 16.444 22.979 ( 1.098 0.000 23.423) 23.449 23.424 ( -3.716 -0.000 -10.605) 11.237 24.081 ( -5.796 -0.000 -1.365) 5.955 24.149 ( -3.666 -0.000 0.461) 3.695 ======================= Grid point 226 (98/204) ======================= q-point: (-0.18 -0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -16.106 -1.623 -11.667) 19.954 3.224 ( -34.312 9.462 -2.032) 35.650 3.598 ( -18.238 11.801 -12.664) 25.145 3.918 ( -16.382 -14.030 12.848) 25.105 4.457 ( 5.094 2.394 0.665) 5.668 4.574 ( -14.862 -7.121 5.780) 17.464 5.181 ( 7.047 15.914 13.187) 21.836 5.321 ( -2.181 11.359 0.067) 11.566 5.736 ( -4.411 -22.014 15.322) 27.182 5.981 ( 9.379 -4.802 -8.536) 13.560 6.178 ( -4.328 -6.873 -12.617) 15.005 6.379 ( -0.456 -1.000 -9.385) 9.450 6.956 ( -3.041 3.015 -14.288) 14.916 7.226 ( -0.325 1.430 8.560) 8.685 7.702 ( 1.300 7.187 -3.608) 8.146 7.980 ( 6.995 -6.294 -2.864) 9.836 8.367 ( 8.041 2.775 2.200) 8.787 8.586 ( 1.608 2.833 -3.519) 4.795 8.667 ( -3.700 0.964 4.840) 6.168 8.735 ( 3.273 -0.521 -9.735) 10.284 8.943 ( -4.315 -1.619 2.813) 5.399 9.068 ( -1.773 0.612 -6.571) 6.833 9.389 ( -2.484 1.569 -10.830) 11.221 9.685 ( 4.968 3.276 14.497) 15.671 9.797 ( -1.310 4.146 9.445) 10.398 10.132 ( -1.174 -1.630 -1.894) 2.761 10.372 ( 3.395 2.484 3.794) 5.665 10.431 ( 3.867 -1.896 0.776) 4.376 10.644 ( 3.868 -1.391 4.387) 6.012 10.881 ( -1.999 -0.221 -4.121) 4.586 10.988 ( 0.151 4.061 -4.290) 5.909 11.179 ( 4.591 1.801 0.776) 4.992 11.381 ( 12.787 -0.131 -1.211) 12.845 11.409 ( 8.606 -1.437 -1.778) 8.905 11.594 ( -4.062 0.523 2.850) 4.989 11.654 ( -7.162 -2.166 0.405) 7.494 11.744 ( -6.739 -1.733 5.120) 8.639 12.213 ( -2.532 -2.486 8.768) 9.458 12.416 ( 4.786 0.302 -4.848) 6.819 12.830 ( 13.199 3.566 -7.757) 15.719 13.069 ( -0.973 -0.331 9.803) 9.856 13.122 ( 7.592 3.758 -1.026) 8.533 13.431 ( -2.424 6.684 -15.013) 16.611 13.564 ( -5.068 -1.819 1.566) 5.607 13.737 ( -4.052 -11.938 6.306) 14.096 13.857 ( -2.581 -4.610 11.286) 12.461 14.039 ( -1.043 4.103 -7.423) 8.546 14.218 ( -13.481 -4.933 -8.082) 16.474 14.651 ( 0.565 3.539 0.726) 3.657 14.752 ( -0.335 -1.973 -4.005) 4.477 15.042 ( 0.783 1.369 5.720) 5.934 15.150 ( 1.593 -1.832 4.762) 5.345 15.451 ( -1.465 -0.702 -0.789) 1.806 15.469 ( 6.331 -0.709 8.587) 10.692 16.397 ( 2.965 3.702 0.142) 4.746 16.458 ( 5.310 -2.171 1.742) 5.996 17.320 ( 12.382 6.205 -5.907) 15.057 17.428 ( 12.397 -5.079 -22.526) 26.209 18.399 ( -15.576 -1.690 0.437) 15.674 18.920 ( -14.842 1.313 27.023) 30.858 20.594 ( 29.967 -0.037 -9.455) 31.423 21.547 ( 2.872 -2.460 -11.746) 12.340 22.915 ( -2.831 28.016 11.679) 30.484 23.439 ( 0.234 -14.969 -1.334) 15.030 24.008 ( -4.931 -4.840 -0.534) 6.930 24.104 ( -3.606 -2.409 0.679) 4.390 ======================= Grid point 227 (99/204) ======================= q-point: (-0.09 -0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -16.627 -13.373 1.561) 21.394 2.547 ( -37.594 4.779 -3.431) 38.052 3.174 ( -15.729 5.856 -7.953) 18.573 3.867 ( -16.537 -17.833 9.628) 26.157 4.379 ( -19.587 -9.748 -6.647) 22.866 4.520 ( 5.446 7.558 0.438) 9.326 5.010 ( -17.724 12.534 -4.908) 22.256 5.195 ( 9.273 16.352 15.800) 24.556 5.700 ( -19.493 -13.931 -7.463) 25.095 6.117 ( 7.209 4.955 -4.107) 9.664 6.244 ( -5.843 -15.382 2.486) 16.641 6.434 ( 5.551 -9.560 0.541) 11.068 6.899 ( 2.635 -2.288 -7.254) 8.050 7.236 ( 4.219 6.226 2.988) 8.093 7.644 ( 0.297 4.317 -3.610) 5.635 8.005 ( -3.349 3.661 -9.337) 10.573 8.308 ( -17.566 2.134 -1.693) 17.776 8.489 ( 2.402 1.290 -0.711) 2.818 8.623 ( -2.603 2.298 6.528) 7.394 8.754 ( 6.395 3.581 -13.051) 14.969 8.931 ( -0.888 -4.117 2.540) 4.918 9.143 ( 4.950 2.980 -3.418) 6.713 9.311 ( 4.105 0.571 -8.167) 9.158 9.684 ( 0.489 10.017 6.683) 12.051 9.838 ( 0.000 -0.053 12.087) 12.087 10.131 ( -1.685 -3.214 1.427) 3.899 10.391 ( 1.550 4.889 3.802) 6.384 10.491 ( 1.204 -1.827 3.582) 4.197 10.672 ( -1.634 2.141 3.490) 4.409 10.873 ( -1.001 -1.942 -3.381) 4.025 10.949 ( 2.622 3.786 -4.661) 6.552 11.196 ( -0.127 4.162 4.940) 6.461 11.429 ( 1.077 2.982 -3.752) 4.912 11.549 ( -4.273 0.272 5.667) 7.103 11.553 ( 2.107 -0.153 0.016) 2.113 11.656 ( 10.474 -2.486 -2.556) 11.064 11.820 ( 7.501 -5.932 -3.305) 10.118 12.220 ( -4.549 -1.920 7.168) 8.704 12.454 ( 2.810 0.052 -6.539) 7.117 12.896 ( 0.917 5.642 1.081) 5.817 13.065 ( 1.085 2.333 2.316) 3.462 13.090 ( -6.084 3.013 0.812) 6.837 13.289 ( -1.806 3.306 -10.638) 11.285 13.527 ( -4.569 -2.926 2.127) 5.828 13.728 ( -11.480 -8.013 -5.187) 14.930 13.941 ( 4.219 -3.598 2.597) 6.123 13.983 ( -0.238 -6.602 5.001) 8.285 14.216 ( 5.015 -5.809 1.083) 7.750 14.660 ( 4.819 3.333 -0.457) 5.877 14.771 ( 1.859 -1.644 -2.090) 3.244 15.003 ( -0.995 6.949 2.314) 7.391 15.262 ( 2.416 -4.614 7.806) 9.384 15.443 ( -0.342 -1.757 -0.133) 1.795 15.585 ( 2.216 -2.197 7.078) 7.735 16.363 ( 0.022 4.756 -0.393) 4.773 16.614 ( 9.229 -0.665 -2.012) 9.470 17.402 ( 11.364 5.205 -17.552) 21.547 17.529 ( 7.051 2.025 -17.877) 19.323 18.211 ( -12.495 -6.465 0.882) 14.096 18.756 ( -14.984 3.026 23.210) 27.792 20.988 ( 22.811 7.937 -4.776) 24.620 21.634 ( 6.880 -9.602 -5.133) 12.879 22.530 ( -6.351 35.074 2.102) 35.707 23.578 ( 0.961 -4.225 4.576) 6.302 24.033 ( -1.601 -7.657 -1.595) 7.983 24.117 ( -0.917 -12.075 3.302) 12.552 ======================= Grid point 237 (100/204) ======================= q-point: (-0.18 -0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -22.500 -0.000 -6.100) 23.313 2.637 ( -41.700 -0.000 -2.320) 41.764 3.266 ( -21.739 -0.000 -9.869) 23.874 3.645 ( -17.908 -0.000 14.467) 23.021 4.272 ( -17.550 -0.000 -4.819) 18.200 4.576 ( 6.699 0.000 -5.914) 8.936 5.261 ( -5.487 -0.000 1.349) 5.650 5.311 ( -24.707 -0.000 8.011) 25.974 5.706 ( 10.709 0.000 20.794) 23.390 5.825 ( -2.915 -0.000 -16.386) 16.644 6.275 ( 11.854 0.000 -1.351) 11.931 6.283 ( -5.203 -0.000 -3.359) 6.193 6.890 ( -0.280 -0.000 -8.314) 8.318 7.269 ( 1.979 0.000 3.991) 4.455 7.723 ( -0.965 -0.000 -4.873) 4.967 8.054 ( 6.031 0.000 -15.352) 16.494 8.332 ( -22.420 -0.000 -0.923) 22.439 8.461 ( 0.212 0.000 4.624) 4.629 8.681 ( 1.030 0.000 1.453) 1.781 8.797 ( 8.138 0.000 -10.358) 13.173 8.865 ( -3.033 -0.000 1.011) 3.197 9.193 ( 12.334 0.000 2.078) 12.508 9.297 ( -3.378 -0.000 -12.904) 13.339 9.824 ( 1.378 0.000 13.440) 13.511 9.837 ( -1.017 -0.000 7.122) 7.194 10.069 ( -3.356 -0.000 1.777) 3.797 10.447 ( -0.605 -0.000 2.903) 2.966 10.469 ( 3.576 0.000 2.724) 4.496 10.707 ( 1.536 0.000 4.252) 4.521 10.827 ( -1.938 -0.000 -2.240) 2.962 11.007 ( 2.872 0.000 -7.174) 7.727 11.240 ( -0.872 -0.000 9.206) 9.247 11.486 ( 3.648 0.000 -4.770) 6.005 11.551 ( -2.486 -0.000 -4.426) 5.076 11.556 ( -4.093 -0.000 5.088) 6.530 11.614 ( 13.366 0.000 -2.178) 13.543 11.747 ( 8.985 0.000 -0.177) 8.987 12.191 ( -3.610 -0.000 11.042) 11.617 12.456 ( 2.348 0.000 -8.248) 8.576 12.992 ( -14.060 -0.000 9.472) 16.953 13.011 ( 10.706 0.000 -7.190) 12.896 13.185 ( -1.164 -0.000 -1.339) 1.775 13.341 ( -3.635 -0.000 -22.781) 23.069 13.514 ( -3.592 -0.000 5.462) 6.537 13.554 ( -11.570 -0.000 5.348) 12.747 13.878 ( 2.277 0.000 10.701) 10.941 13.984 ( -4.075 -0.000 -1.500) 4.343 14.139 ( 10.126 0.000 -2.036) 10.329 14.707 ( 3.512 0.000 0.253) 3.521 14.738 ( 2.532 0.000 -4.265) 4.960 15.112 ( 1.193 0.000 7.339) 7.435 15.182 ( 1.636 0.000 5.771) 5.998 15.426 ( -0.153 -0.000 -0.004) 0.153 15.557 ( 0.769 0.000 6.745) 6.789 16.424 ( 0.676 0.000 3.449) 3.514 16.596 ( 9.400 0.000 -5.488) 10.884 17.414 ( 11.282 0.000 -42.187) 43.670 17.600 ( 11.675 0.000 7.109) 13.669 18.131 ( -14.948 -0.000 -2.948) 15.236 18.790 ( -15.605 -0.000 26.147) 30.450 21.083 ( 32.888 0.000 -4.596) 33.207 21.519 ( 1.238 0.000 -9.078) 9.162 23.175 ( -4.502 -0.000 -15.245) 15.896 23.277 ( 5.181 0.000 25.250) 25.776 23.892 ( -5.677 -0.000 0.654) 5.715 24.036 ( -3.664 -0.000 0.667) 3.725 ======================= Grid point 238 (101/204) ======================= q-point: (-0.09 -0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -25.208 -13.800 5.048) 29.178 1.953 ( -40.138 1.363 1.792) 40.201 2.895 ( -18.210 1.340 -3.781) 18.646 3.321 ( -41.136 -15.331 7.342) 44.510 4.029 ( -7.015 -1.111 -8.775) 11.290 4.569 ( -0.981 1.858 -21.897) 21.997 4.884 ( -15.231 10.497 6.083) 19.472 5.224 ( -12.965 -10.687 2.501) 16.987 5.568 ( -0.865 21.096 4.911) 21.678 5.957 ( -11.484 -14.262 2.011) 18.421 6.320 ( 14.534 3.102 5.873) 15.980 6.472 ( 8.449 -6.263 1.551) 10.631 6.889 ( 0.513 -3.352 0.080) 3.392 7.323 ( 3.697 -0.624 -1.868) 4.189 7.666 ( -1.166 3.064 -5.586) 6.477 7.833 ( -17.044 4.284 -18.221) 25.316 8.096 ( -8.097 3.582 2.716) 9.261 8.453 ( -5.684 -3.939 2.675) 7.415 8.681 ( 2.537 6.125 -1.476) 6.792 8.839 ( 4.157 -0.778 -10.053) 10.906 8.957 ( 9.510 -1.424 1.507) 9.733 9.168 ( -1.543 4.385 -11.889) 12.765 9.403 ( 9.651 -3.035 -0.177) 10.119 9.788 ( -2.090 7.266 5.118) 9.130 9.847 ( -4.843 0.265 9.348) 10.531 10.059 ( -2.935 -4.683 4.002) 6.824 10.459 ( 2.812 2.125 0.625) 3.580 10.497 ( -3.297 -0.549 3.436) 4.794 10.710 ( 0.744 3.852 4.673) 6.102 10.800 ( -2.976 -2.096 -1.603) 3.977 11.020 ( 4.310 3.766 -6.840) 8.919 11.228 ( -3.928 1.739 9.104) 10.066 11.467 ( 1.437 5.310 -3.384) 6.458 11.518 ( 0.027 0.867 0.133) 0.877 11.583 ( 3.347 -3.880 -0.306) 5.133 11.801 ( 9.431 -1.687 -0.722) 9.608 11.929 ( 11.446 -1.232 -6.224) 13.087 12.173 ( -4.700 1.358 9.280) 10.491 12.417 ( -2.231 -2.049 -9.479) 9.951 12.722 ( -22.690 -2.181 8.777) 24.426 13.073 ( -2.253 3.575 -14.503) 15.106 13.106 ( -6.070 4.124 -3.581) 8.165 13.195 ( 1.284 -2.674 -0.747) 3.059 13.469 ( -3.954 -7.585 -0.166) 8.555 13.489 ( -1.460 -0.247 1.188) 1.898 13.998 ( 3.388 -1.470 6.568) 7.535 14.014 ( 5.969 -2.559 3.872) 7.561 14.359 ( 13.589 -1.856 5.296) 14.702 14.770 ( 5.486 1.140 -3.047) 6.378 14.807 ( 6.199 -0.959 2.311) 6.685 15.078 ( -1.771 8.572 3.440) 9.405 15.249 ( -0.719 -5.580 1.848) 5.922 15.451 ( 1.094 -0.188 5.349) 5.463 15.587 ( -0.597 -2.876 5.095) 5.881 16.420 ( -0.195 6.733 -0.811) 6.784 16.673 ( 3.362 -3.958 -15.097) 15.965 17.408 ( 7.641 -1.748 -37.912) 38.714 17.718 ( 4.986 11.830 1.931) 12.982 17.967 ( -7.238 -8.850 -0.608) 11.449 18.642 ( -13.640 1.779 21.007) 25.110 21.394 ( 10.691 15.035 -3.644) 18.805 21.668 ( 15.742 -10.304 0.008) 18.814 22.814 ( -2.734 35.143 -4.673) 35.557 23.578 ( 3.270 -6.884 11.411) 13.722 23.901 ( -0.029 -15.855 1.343) 15.912 24.009 ( -2.098 -7.142 3.941) 8.423 ======================= Grid point 249 (102/204) ======================= q-point: (-0.09 -0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -24.469 -0.000 23.578) 33.980 1.328 ( -38.975 -0.000 9.010) 40.002 2.378 ( -63.748 -0.000 7.622) 64.202 2.657 ( -12.087 -0.000 0.272) 12.090 3.993 ( 3.871 0.000 -8.985) 9.783 4.407 ( -5.657 -0.000 -29.026) 29.572 4.645 ( -15.271 -0.000 -9.381) 17.922 5.101 ( -4.498 -0.000 8.633) 9.735 5.539 ( -20.385 -0.000 8.588) 22.120 5.783 ( 2.305 0.000 0.407) 2.341 6.544 ( 6.553 0.000 -3.837) 7.593 6.727 ( 22.134 0.000 16.764) 27.766 6.808 ( -8.771 -0.000 3.385) 9.402 7.327 ( -1.035 -0.000 -8.535) 8.598 7.569 ( -8.835 -0.000 -9.399) 12.900 7.644 ( 0.227 0.000 -1.917) 1.931 7.979 ( -10.008 -0.000 -8.518) 13.142 8.300 ( -11.288 -0.000 4.080) 12.003 8.775 ( 3.922 0.000 -1.091) 4.071 8.829 ( 2.667 0.000 -10.252) 10.593 9.120 ( -0.064 -0.000 -11.499) 11.499 9.150 ( 12.989 0.000 -0.111) 12.990 9.527 ( 7.080 0.000 0.584) 7.104 9.757 ( -9.219 -0.000 12.163) 15.262 9.807 ( -3.445 -0.000 -0.747) 3.525 9.994 ( -2.766 -0.000 0.013) 2.766 10.381 ( -10.593 -0.000 2.168) 10.812 10.534 ( 3.132 0.000 -0.737) 3.217 10.731 ( -1.199 -0.000 -1.386) 1.832 10.804 ( 4.148 0.000 2.885) 5.053 11.098 ( 6.426 0.000 -7.371) 9.778 11.180 ( -6.636 -0.000 6.282) 9.137 11.523 ( 2.319 0.000 -6.319) 6.731 11.554 ( 2.310 0.000 3.144) 3.902 11.629 ( 6.838 0.000 0.789) 6.883 11.910 ( 4.073 0.000 2.527) 4.793 12.056 ( 6.370 0.000 -6.108) 8.825 12.190 ( -1.422 -0.000 10.029) 10.129 12.280 ( -3.957 -0.000 -14.596) 15.123 12.341 ( -23.385 -0.000 12.524) 26.528 12.885 ( -9.706 -0.000 -7.028) 11.984 13.036 ( -5.156 -0.000 -7.431) 9.044 13.188 ( -1.203 -0.000 2.155) 2.468 13.486 ( 0.299 0.000 2.412) 2.430 13.505 ( 8.708 0.000 1.796) 8.892 14.087 ( 3.285 0.000 4.650) 5.693 14.092 ( 4.629 0.000 3.639) 5.888 14.596 ( 13.860 0.000 2.962) 14.173 14.828 ( 4.226 0.000 -3.114) 5.249 14.985 ( 10.826 0.000 8.295) 13.638 15.103 ( -5.218 -0.000 3.808) 6.460 15.144 ( -4.515 -0.000 -10.405) 11.342 15.470 ( -4.183 -0.000 2.116) 4.687 15.589 ( 1.035 0.000 2.804) 2.989 16.475 ( -7.672 -0.000 -32.804) 33.689 16.478 ( -0.873 -0.000 3.932) 4.028 17.358 ( 2.928 0.000 -24.663) 24.836 17.745 ( -6.614 -0.000 0.331) 6.622 17.942 ( 6.640 0.000 1.304) 6.767 18.522 ( -12.143 -0.000 16.289) 20.317 21.495 ( 0.804 0.000 -2.449) 2.578 21.998 ( 20.295 0.000 2.830) 20.491 22.965 ( 1.461 0.000 -13.999) 14.075 23.741 ( -3.926 -0.000 1.116) 4.081 23.768 ( 11.748 0.000 19.755) 22.984 23.959 ( 0.202 0.000 8.381) 8.383 ======================= Grid point 250 (103/204) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.465 -0.000 32.729) 32.762 1.571 ( 4.177 0.000 42.097) 42.304 2.283 ( -3.169 -0.000 -14.881) 15.215 2.428 ( 2.479 0.000 49.816) 49.878 3.305 ( -2.878 -0.000 -35.027) 35.145 3.906 ( 18.525 0.000 -17.074) 25.193 4.293 ( 0.182 0.000 -0.150) 0.236 4.653 ( -9.716 -0.000 -21.588) 23.674 5.475 ( -3.597 -0.000 17.321) 17.691 6.099 ( 6.112 0.000 -7.540) 9.706 6.235 ( 6.485 0.000 -0.004) 6.485 6.626 ( -15.356 -0.000 -13.163) 20.226 7.047 ( 1.020 0.000 14.353) 14.389 7.435 ( 5.433 0.000 -4.374) 6.975 7.666 ( -3.723 -0.000 8.054) 8.873 7.875 ( 4.246 0.000 1.473) 4.495 8.057 ( -12.316 -0.000 6.527) 13.938 8.268 ( 23.248 0.000 2.406) 23.372 8.929 ( 11.378 0.000 4.299) 12.163 8.958 ( 7.232 0.000 2.616) 7.691 9.252 ( 3.229 0.000 6.106) 6.907 9.376 ( -8.459 -0.000 -12.496) 15.090 9.544 ( -4.341 -0.000 -14.213) 14.861 9.619 ( 2.613 0.000 -6.458) 6.967 9.832 ( -6.774 -0.000 11.360) 13.226 9.884 ( 7.037 0.000 8.317) 10.894 10.191 ( -3.841 -0.000 0.725) 3.908 10.394 ( -6.092 -0.000 -8.141) 10.168 10.647 ( 7.007 0.000 -7.578) 10.321 10.686 ( 7.484 0.000 -7.830) 10.832 10.897 ( -12.066 -0.000 1.855) 12.208 11.167 ( 6.620 0.000 -10.599) 12.497 11.499 ( 2.854 0.000 2.830) 4.019 11.671 ( -8.585 -0.000 -3.959) 9.454 11.773 ( -10.405 -0.000 5.848) 11.936 11.800 ( 3.904 0.000 6.850) 7.884 11.959 ( 8.916 0.000 -2.683) 9.311 12.030 ( -0.872 -0.000 -0.671) 1.100 12.380 ( -28.462 -0.000 1.609) 28.508 12.427 ( 21.751 0.000 0.283) 21.753 12.975 ( 7.076 0.000 6.944) 9.914 13.155 ( -18.465 -0.000 -1.366) 18.516 13.214 ( -1.890 -0.000 1.633) 2.498 13.220 ( 13.326 0.000 -3.007) 13.661 13.788 ( -0.341 -0.000 2.804) 2.825 13.811 ( 5.986 0.000 1.644) 6.207 14.196 ( -3.647 -0.000 4.374) 5.695 14.271 ( 3.621 0.000 2.203) 4.238 14.819 ( -9.318 -0.000 -3.175) 9.844 14.871 ( 5.761 0.000 -5.714) 8.114 14.961 ( 5.216 0.000 1.857) 5.537 15.091 ( -1.240 -0.000 -3.198) 3.430 15.450 ( 3.537 0.000 5.177) 6.270 15.596 ( -3.193 -0.000 -1.819) 3.675 16.544 ( -2.420 -0.000 6.524) 6.959 16.877 ( -2.920 -0.000 -9.542) 9.978 17.707 ( 16.726 0.000 4.600) 17.347 17.913 ( -5.721 -0.000 -5.724) 8.093 18.305 ( 45.424 0.000 2.286) 45.482 18.319 ( -16.101 -0.000 2.088) 16.235 21.671 ( 4.748 0.000 7.523) 8.896 22.025 ( -6.401 -0.000 -9.702) 11.624 23.281 ( 18.349 0.000 5.607) 19.186 23.427 ( -43.617 -0.000 -1.772) 43.653 23.709 ( -0.651 -0.000 2.163) 2.259 23.816 ( 0.937 0.000 -2.819) 2.970 ======================= Grid point 251 (104/204) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 25.534 4.623 28.071) 38.228 1.826 ( 13.214 4.423 35.492) 38.129 2.370 ( 17.021 -5.133 -11.240) 21.033 2.768 ( 9.216 -13.186 11.370) 19.700 3.139 ( -0.428 -1.559 -14.665) 14.754 4.153 ( 17.496 -3.566 -22.776) 28.941 4.361 ( 6.570 -3.722 4.974) 9.042 4.471 ( -6.533 -8.939 -17.001) 20.288 5.563 ( 5.134 0.157 15.804) 16.618 6.152 ( 7.448 3.509 -10.879) 13.643 6.322 ( -4.884 3.122 -4.614) 7.409 6.406 ( 3.067 -0.636 2.225) 3.842 7.151 ( 4.089 -1.230 10.871) 11.680 7.510 ( 5.312 -2.842 -8.307) 10.262 7.613 ( -4.137 5.108 9.385) 11.458 7.832 ( -5.971 4.245 2.308) 7.681 7.944 ( -3.968 -1.007 -0.604) 4.138 8.523 ( 15.845 10.955 -4.626) 19.811 8.922 ( -5.435 8.906 -3.427) 10.982 9.072 ( -9.448 2.844 -7.685) 12.507 9.137 ( 1.689 -2.993 3.056) 4.598 9.314 ( 2.665 2.589 5.664) 6.774 9.515 ( 0.253 0.212 -6.463) 6.471 9.628 ( 3.379 -0.211 -12.920) 13.356 9.775 ( -3.836 1.071 8.396) 9.293 9.963 ( -5.562 -6.581 9.717) 12.987 10.171 ( 3.547 1.024 0.248) 3.700 10.306 ( -3.533 -4.606 -5.284) 7.850 10.674 ( -2.525 3.331 -4.329) 6.017 10.745 ( 4.040 2.605 -2.862) 5.595 10.842 ( 5.683 -4.223 -7.336) 10.195 11.217 ( 5.798 3.655 -8.418) 10.855 11.488 ( -5.207 6.069 0.197) 7.999 11.527 ( -1.270 3.734 2.796) 4.834 11.674 ( -4.436 3.627 4.118) 7.057 11.848 ( -1.496 0.524 6.210) 6.409 11.973 ( -4.667 -0.971 0.225) 4.772 12.073 ( -5.821 -3.303 2.337) 7.089 12.154 ( 9.194 -5.012 -2.026) 10.666 12.785 ( 13.794 2.361 3.161) 14.347 12.881 ( -8.111 -2.133 -3.875) 9.239 12.962 ( -4.418 -0.722 3.450) 5.652 13.371 ( 16.002 0.683 5.030) 16.788 13.459 ( 7.734 -5.119 -1.932) 9.474 13.727 ( -6.395 0.321 0.923) 6.469 13.868 ( -0.750 -3.923 -3.042) 5.021 14.160 ( -4.680 -1.871 5.360) 7.358 14.384 ( 5.736 -4.337 0.327) 7.199 14.661 ( -5.979 2.786 -3.986) 7.707 14.839 ( -6.540 -2.623 -2.636) 7.523 15.054 ( 4.162 -0.185 2.651) 4.938 15.163 ( 9.170 -0.237 -5.545) 10.719 15.488 ( -3.787 2.204 0.960) 4.486 15.541 ( -0.350 -2.846 1.785) 3.378 16.536 ( -2.070 0.211 7.413) 7.700 16.773 ( -4.688 1.166 -6.490) 8.091 17.691 ( -13.864 6.025 -10.832) 18.597 17.859 ( 4.609 3.123 2.976) 6.313 18.127 ( -6.627 -1.986 -1.967) 7.192 19.044 ( 48.958 7.868 -19.558) 53.304 21.613 ( -17.196 39.240 6.653) 43.356 21.763 ( 5.265 4.260 7.557) 10.148 22.818 ( -40.186 -20.603 4.905) 45.425 23.544 ( 9.675 1.059 7.697) 12.408 23.771 ( -0.086 -9.630 0.492) 9.643 23.867 ( 3.053 -6.285 -1.149) 7.081 ======================= Grid point 252 (105/204) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 18.637 22.265 24.488) 37.983 2.327 ( 24.115 -6.950 19.929) 32.047 2.738 ( 23.662 -2.285 -17.022) 29.238 2.844 ( 10.045 -0.108 -18.041) 20.650 3.429 ( 7.422 -30.294 13.996) 34.186 4.285 ( 6.262 -12.422 -31.912) 34.813 4.521 ( 5.233 -8.516 -4.600) 11.004 4.644 ( 16.538 -5.599 10.832) 20.547 5.690 ( 1.062 -0.113 8.970) 9.033 6.136 ( 6.477 5.186 1.431) 8.420 6.345 ( 8.955 -2.492 -9.318) 13.162 6.478 ( 4.403 6.887 8.057) 11.478 7.268 ( 5.849 2.425 4.296) 7.651 7.479 ( -7.808 3.258 -4.362) 9.519 7.608 ( 4.109 1.487 3.731) 5.745 7.688 ( -2.997 7.428 -5.459) 9.693 7.929 ( 0.467 -4.457 2.602) 5.182 8.518 ( 4.210 11.456 -12.927) 17.779 8.752 ( -3.431 -0.140 -4.056) 5.314 8.885 ( -6.487 4.748 -4.487) 9.206 9.160 ( -4.736 2.703 3.811) 6.653 9.262 ( -6.819 2.830 2.075) 7.669 9.407 ( -2.108 9.553 -1.734) 9.935 9.632 ( -1.190 -3.173 -5.103) 6.126 9.794 ( 3.825 1.493 3.047) 5.113 9.992 ( 1.255 -0.886 7.976) 8.122 10.265 ( 1.552 -4.083 1.430) 4.596 10.330 ( 2.992 -5.503 -0.358) 6.274 10.590 ( -1.320 4.070 4.341) 6.095 10.779 ( 4.050 1.023 -4.218) 5.936 10.933 ( 4.453 -4.062 -9.001) 10.832 11.141 ( -1.443 12.382 -0.793) 12.491 11.430 ( 1.551 -0.652 -4.304) 4.621 11.479 ( 1.433 7.595 1.889) 7.957 11.576 ( -5.259 -0.698 3.369) 6.284 11.844 ( -3.568 1.338 1.039) 3.950 11.948 ( 1.705 -1.315 0.665) 2.254 12.085 ( 0.067 -2.420 -1.588) 2.895 12.331 ( 5.640 -1.524 5.148) 7.787 12.716 ( -9.397 -0.013 -3.488) 10.023 12.778 ( -1.350 -3.653 -3.866) 5.488 13.154 ( 11.237 3.236 3.272) 12.143 13.470 ( -1.861 4.904 1.392) 5.427 13.585 ( 1.009 -4.472 0.366) 4.599 13.768 ( 7.870 -2.511 -0.592) 8.282 13.928 ( 8.585 -5.708 4.803) 11.373 14.118 ( -6.543 -3.538 4.932) 8.925 14.506 ( 1.501 -7.586 -0.762) 7.770 14.550 ( -1.064 3.664 -4.135) 5.626 14.757 ( -6.892 -6.120 -2.002) 9.432 15.114 ( 1.118 -0.121 3.519) 3.694 15.266 ( 5.330 -0.253 -3.520) 6.393 15.362 ( -6.958 1.775 -2.822) 7.716 15.589 ( 0.304 -1.202 3.959) 4.149 16.518 ( -3.404 1.879 6.321) 7.421 16.667 ( -4.939 0.561 -2.484) 5.557 17.315 ( -14.512 8.425 -15.758) 23.020 17.808 ( -1.903 9.501 -1.282) 9.774 18.159 ( 2.661 -8.402 -0.707) 8.842 19.525 ( 35.792 11.923 -24.228) 44.836 20.944 ( -23.256 37.149 24.191) 50.061 21.819 ( 5.898 7.777 4.557) 10.772 22.498 ( -29.682 -21.423 -1.720) 36.646 23.633 ( 2.987 4.241 5.027) 7.223 23.888 ( 2.185 -10.054 -0.962) 10.333 24.007 ( 2.825 -9.625 2.408) 10.316 ======================= Grid point 253 (106/204) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( 17.625 20.161 16.341) 31.371 2.617 ( 14.008 7.458 -17.102) 23.330 3.019 ( 17.256 -11.214 12.809) 24.240 3.244 ( 21.036 -11.808 -6.399) 24.958 3.881 ( 7.174 -26.838 4.728) 28.179 4.444 ( 9.192 -18.210 -22.725) 30.537 4.672 ( 5.458 -6.623 -0.589) 8.602 4.984 ( 14.307 -0.945 5.946) 15.522 5.694 ( -0.919 -0.777 3.375) 3.583 6.326 ( 14.778 0.007 4.585) 15.473 6.434 ( 1.038 1.698 2.573) 3.253 6.553 ( 11.785 4.022 3.676) 12.983 7.138 ( -17.651 12.350 -15.473) 26.523 7.272 ( 2.421 10.092 -3.219) 10.866 7.640 ( 7.328 1.237 0.135) 7.433 7.726 ( 2.473 -4.853 5.116) 7.473 8.065 ( 6.338 -5.830 4.469) 9.702 8.467 ( 3.523 1.550 -10.628) 11.303 8.699 ( -9.844 -1.513 -6.409) 11.844 8.709 ( -0.866 4.325 -7.990) 9.126 8.948 ( -4.610 13.329 3.090) 14.438 9.149 ( -6.270 3.302 -0.759) 7.127 9.336 ( -0.206 4.433 3.843) 5.871 9.602 ( -2.819 -1.306 -0.553) 3.156 9.837 ( 1.698 2.096 0.517) 2.746 10.076 ( 5.745 3.660 10.553) 12.560 10.276 ( 1.674 5.332 2.925) 6.308 10.468 ( 3.779 -7.294 -1.073) 8.285 10.590 ( -1.143 -2.583 3.562) 4.546 10.820 ( 3.093 2.402 1.996) 4.396 10.993 ( 2.350 1.978 -1.929) 3.627 11.054 ( 6.471 3.958 -3.148) 8.212 11.331 ( -5.395 7.175 -4.913) 10.233 11.518 ( 0.816 -1.342 2.473) 2.929 11.576 ( 3.792 -1.429 -1.440) 4.300 11.695 ( -10.797 -0.396 -1.661) 10.932 12.027 ( 7.481 4.461 -6.236) 10.713 12.096 ( 0.023 -4.827 -0.282) 4.835 12.363 ( -9.049 -3.219 11.336) 14.857 12.607 ( 0.743 3.244 -1.865) 3.815 12.840 ( 4.508 -2.140 -5.301) 7.281 13.146 ( -5.999 1.799 1.415) 6.421 13.450 ( 2.952 5.634 4.395) 7.731 13.609 ( -0.442 -1.047 -2.254) 2.524 13.848 ( -1.010 -10.339 -9.244) 13.906 14.052 ( -4.313 -3.596 3.455) 6.593 14.253 ( 16.353 6.213 13.767) 22.261 14.530 ( -2.252 -1.334 -1.046) 2.819 14.578 ( 4.356 -7.221 -2.941) 8.932 14.757 ( -1.114 -7.734 2.015) 8.070 15.116 ( -2.464 0.457 4.012) 4.730 15.220 ( -7.659 0.052 -4.552) 8.910 15.328 ( 3.039 -1.782 -0.762) 3.604 15.589 ( -2.263 1.439 3.755) 4.615 16.430 ( -6.291 4.903 4.141) 8.987 16.548 ( -7.575 1.711 -3.695) 8.600 17.032 ( -4.950 1.955 -11.947) 13.079 17.650 ( -2.442 12.279 -4.238) 13.217 18.312 ( 4.995 -9.884 -1.311) 11.152 19.803 ( 25.856 10.973 -21.345) 35.279 20.368 ( -23.435 25.537 27.104) 44.000 21.836 ( 6.697 11.592 1.174) 13.439 22.234 ( -25.916 -17.623 -3.638) 31.551 23.637 ( 0.230 2.830 3.909) 4.831 24.019 ( 3.511 -7.710 -1.271) 8.567 24.140 ( 1.627 -7.710 2.426) 8.245 ======================= Grid point 254 (107/204) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 16.960 14.900 12.785) 25.945 2.730 ( 14.213 2.259 -10.032) 17.543 3.418 ( 8.130 -11.642 14.658) 20.409 3.564 ( 7.931 -13.679 -15.224) 21.950 4.209 ( 7.779 -11.948 4.536) 14.962 4.662 ( 7.495 -4.092 -10.278) 13.363 4.869 ( 6.611 -15.020 3.664) 16.814 5.160 ( 8.579 0.501 -0.622) 8.616 5.744 ( 3.282 -3.035 1.877) 4.849 6.384 ( -7.843 0.572 0.445) 7.877 6.547 ( 2.081 -2.789 -5.769) 6.737 6.663 ( -0.376 14.147 -3.404) 14.555 6.767 ( 4.683 -1.831 0.026) 5.028 7.189 ( 4.725 13.773 -3.786) 15.045 7.780 ( 5.856 -4.703 -2.598) 7.947 7.846 ( 5.559 -1.579 8.417) 10.210 8.167 ( -5.900 -1.897 2.870) 6.830 8.377 ( -1.181 5.501 -13.539) 14.662 8.586 ( 2.834 -3.136 -3.668) 5.597 8.722 ( 1.400 -4.226 -3.064) 5.404 8.864 ( 5.116 9.936 3.200) 11.625 8.992 ( -7.186 2.790 -2.238) 8.027 9.295 ( -1.866 2.917 1.603) 3.816 9.585 ( 0.600 0.143 -1.344) 1.479 9.797 ( -2.758 4.924 0.915) 5.718 10.190 ( 7.784 3.844 8.971) 12.484 10.270 ( 1.492 5.944 10.477) 12.138 10.566 ( 2.786 -1.453 -0.843) 3.253 10.594 ( -2.458 -5.348 -2.568) 6.422 10.829 ( -2.359 2.724 4.958) 6.129 11.007 ( 5.970 4.494 -3.860) 8.411 11.108 ( -6.689 6.307 -1.803) 9.369 11.186 ( 7.163 -0.036 -2.667) 7.643 11.502 ( -6.162 -2.196 2.593) 7.037 11.556 ( -2.228 -1.782 0.792) 2.961 11.725 ( 8.991 -3.914 -5.767) 11.376 12.015 ( -1.239 -1.785 -5.727) 6.125 12.212 ( 8.315 -0.558 -1.298) 8.434 12.250 ( -11.373 -0.293 12.306) 16.759 12.606 ( 1.751 3.675 1.188) 4.240 12.859 ( -0.232 1.222 -3.367) 3.589 13.071 ( -2.083 -1.254 -1.645) 2.935 13.430 ( -3.587 2.090 4.043) 5.795 13.584 ( -0.142 0.950 -2.017) 2.234 13.842 ( -6.203 -7.343 -5.665) 11.157 14.108 ( 5.130 -2.957 1.329) 6.069 14.397 ( 7.320 9.707 3.122) 12.552 14.481 ( -5.060 -6.034 0.525) 7.893 14.711 ( 0.966 -5.248 -4.977) 7.297 14.896 ( 6.868 -0.216 7.903) 10.473 15.074 ( -2.673 0.718 3.410) 4.392 15.080 ( -6.188 -1.977 -3.156) 7.222 15.420 ( 3.490 -4.670 3.696) 6.903 15.528 ( -3.434 3.245 3.292) 5.759 16.254 ( -8.095 4.065 0.600) 9.078 16.441 ( -2.037 0.905 -1.870) 2.910 16.978 ( -1.742 -5.071 -6.380) 8.334 17.464 ( -0.332 15.053 -8.576) 17.328 18.492 ( 5.705 -9.423 -1.109) 11.071 19.887 ( -29.462 4.178 30.417) 42.552 20.005 ( 26.505 19.821 -22.597) 40.075 21.815 ( 7.225 15.603 -0.581) 17.204 22.000 ( -22.600 -18.411 -3.807) 29.398 23.628 ( -0.718 1.009 3.372) 3.592 24.131 ( 2.971 -4.570 -0.530) 5.477 24.233 ( 1.681 -4.708 0.784) 5.061 ======================= Grid point 255 (108/204) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 13.293 10.807 13.735) 21.958 2.912 ( 11.114 -0.147 -3.519) 11.659 3.536 ( -9.817 -3.673 1.676) 10.614 3.697 ( 0.518 -16.777 -12.727) 21.064 4.434 ( 9.297 -0.516 10.766) 14.234 4.691 ( 4.418 5.210 -1.169) 6.931 5.103 ( -0.752 -11.580 -2.266) 11.824 5.260 ( 4.226 2.510 -1.135) 5.045 5.813 ( -3.922 -3.762 -2.650) 6.046 6.168 ( -5.126 -3.580 -4.468) 7.685 6.465 ( -0.031 1.281 -3.369) 3.604 6.707 ( 0.185 -2.568 -4.241) 4.961 6.825 ( 0.860 6.276 0.098) 6.335 7.135 ( 6.563 14.630 1.770) 16.132 7.828 ( -5.561 -8.945 -6.036) 12.140 7.946 ( 0.858 4.012 8.866) 9.770 8.115 ( 4.242 -3.197 -0.124) 5.314 8.323 ( 2.810 5.204 -7.331) 9.419 8.645 ( -3.888 -0.879 4.026) 5.665 8.740 ( 3.088 -1.914 -4.923) 6.119 8.897 ( 5.066 4.478 1.725) 6.978 8.932 ( -1.372 -6.948 -5.546) 8.995 9.243 ( -3.473 1.068 1.300) 3.859 9.628 ( 5.765 -0.827 -1.920) 6.132 9.671 ( -4.822 5.553 -0.767) 7.394 10.230 ( -2.963 3.710 12.201) 13.092 10.361 ( 8.275 1.206 6.809) 10.784 10.539 ( -3.249 2.777 -0.873) 4.362 10.640 ( 1.417 -2.110 -1.960) 3.210 10.729 ( -3.990 -0.686 -0.883) 4.144 10.957 ( -1.809 1.873 -2.828) 3.844 11.102 ( 4.805 3.010 0.434) 5.687 11.261 ( 5.965 2.733 -0.625) 6.591 11.446 ( -3.914 -1.219 0.640) 4.149 11.601 ( 2.650 -4.129 -0.102) 4.907 11.868 ( 5.329 -0.261 -0.889) 5.409 11.988 ( -8.208 -4.663 1.269) 9.525 12.136 ( -1.262 0.957 7.321) 7.490 12.344 ( 6.683 0.585 -3.195) 7.431 12.596 ( 0.903 1.988 2.712) 3.482 12.834 ( 1.116 -0.315 -5.334) 5.458 13.060 ( -1.238 -2.265 -4.044) 4.797 13.348 ( -5.128 0.890 5.579) 7.630 13.595 ( 2.462 -0.913 -2.605) 3.699 13.769 ( -6.918 -3.176 -3.470) 8.365 14.240 ( 6.520 -1.370 4.083) 7.814 14.341 ( -2.714 5.851 1.635) 6.654 14.510 ( 0.844 -1.258 -0.274) 1.540 14.679 ( -4.757 1.205 -4.539) 6.685 14.828 ( -5.739 2.086 -7.587) 9.739 14.996 ( -6.842 -0.461 8.028) 10.558 15.222 ( 9.861 -0.886 3.622) 10.542 15.489 ( 0.772 0.156 7.240) 7.283 15.521 ( 2.349 -0.756 1.253) 2.767 16.184 ( 0.304 -1.772 2.856) 3.375 16.427 ( -0.569 -1.882 0.355) 1.998 16.984 ( -3.152 -8.798 -4.129) 10.217 17.283 ( 3.416 16.125 -15.275) 22.472 18.641 ( 2.892 -4.719 0.248) 5.540 19.506 ( -27.416 1.318 27.382) 38.771 20.182 ( 23.585 10.291 -18.539) 31.716 21.758 ( 1.472 7.831 -0.179) 7.971 21.869 ( -11.072 -12.400 -3.800) 17.052 23.625 ( -0.968 -0.379 2.935) 3.113 24.188 ( 0.676 -0.929 0.508) 1.256 24.299 ( 2.926 -1.450 -1.114) 3.450 ======================= Grid point 256 (109/204) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 4.295 7.656 15.099) 17.465 2.993 ( 1.381 0.353 -7.066) 7.208 3.205 ( -22.864 12.670 -2.739) 26.283 3.869 ( 5.256 -17.069 -7.927) 19.540 4.572 ( 2.281 3.504 5.205) 6.676 4.748 ( -0.598 -1.441 10.012) 10.133 4.939 ( -14.317 4.682 -9.257) 17.680 5.221 ( -3.891 5.060 1.638) 6.590 5.798 ( 2.075 -7.242 -2.083) 7.816 6.188 ( -8.224 -0.153 -3.185) 8.821 6.434 ( 1.186 4.376 -7.613) 8.861 6.647 ( 2.232 3.882 -2.730) 5.244 6.796 ( -2.999 -8.566 2.049) 9.304 7.109 ( 5.757 13.923 5.086) 15.902 7.808 ( -6.943 -10.527 -5.733) 13.852 7.906 ( -3.972 5.410 6.995) 9.694 8.214 ( 3.273 -3.126 -1.617) 4.807 8.303 ( 2.210 1.314 -2.146) 3.349 8.584 ( -1.260 2.677 -0.305) 2.974 8.838 ( 0.584 -4.258 -3.257) 5.392 8.892 ( -1.493 -0.935 0.103) 1.765 8.978 ( 2.121 -5.550 -8.264) 10.178 9.140 ( -6.347 2.379 3.818) 7.779 9.555 ( -2.686 0.491 1.324) 3.035 9.812 ( 11.210 -5.711 -3.740) 13.125 10.186 ( -5.960 -0.873 11.687) 13.148 10.431 ( -6.310 0.854 4.223) 7.640 10.498 ( 7.699 1.455 0.950) 7.893 10.669 ( 1.946 -0.783 -0.410) 2.138 10.749 ( 0.846 -3.748 -2.567) 4.621 10.925 ( 1.916 2.544 -2.645) 4.140 11.110 ( -1.015 0.847 1.012) 1.665 11.314 ( 0.134 -1.477 -3.821) 4.099 11.457 ( 7.400 1.610 0.491) 7.589 11.654 ( -1.094 -1.882 -1.289) 2.530 11.832 ( -10.741 2.537 7.188) 13.171 11.880 ( -0.468 2.517 0.786) 2.678 12.282 ( 11.078 -1.849 2.664) 11.543 12.333 ( -4.747 1.029 -3.096) 5.760 12.666 ( 5.754 -2.446 -0.088) 6.253 12.859 ( 3.392 -2.758 -10.124) 11.028 13.034 ( -1.939 -1.608 -1.659) 3.016 13.329 ( -0.040 -0.042 5.784) 5.784 13.616 ( -6.574 -4.090 -5.316) 9.392 13.693 ( 1.648 0.878 2.519) 3.136 14.252 ( -2.476 4.221 4.160) 6.423 14.344 ( 1.997 4.161 7.103) 8.471 14.472 ( -3.390 4.082 -4.791) 7.149 14.558 ( -2.676 2.164 1.054) 3.600 14.729 ( 0.602 2.693 -5.064) 5.767 14.941 ( -6.025 -3.436 7.581) 10.275 15.340 ( 4.356 -0.558 -1.253) 4.567 15.523 ( -1.442 0.129 1.673) 2.213 15.616 ( 8.700 0.262 5.583) 10.340 16.249 ( 1.685 -0.451 0.771) 1.907 16.457 ( 0.462 -4.934 0.690) 5.004 17.050 ( 0.062 -13.285 -0.437) 13.293 17.139 ( 6.464 13.736 -19.781) 24.935 18.628 ( -5.460 4.960 1.135) 7.464 19.235 ( -23.625 -7.513 26.032) 35.948 20.416 ( 23.505 4.432 -15.494) 28.498 21.759 ( -1.775 -10.065 -0.519) 10.234 21.826 ( -0.070 1.100 -2.089) 2.362 23.628 ( -1.065 -1.338 2.649) 3.153 24.178 ( -1.276 2.151 0.502) 2.551 24.342 ( 3.866 2.591 -2.068) 5.093 ======================= Grid point 257 (110/204) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -20.687 1.569 5.411) 21.441 2.669 ( -13.712 24.512 10.368) 29.940 2.935 ( -2.898 0.122 -8.308) 8.800 4.025 ( 2.562 -2.359 -13.680) 14.117 4.378 ( -14.321 15.120 0.581) 20.833 4.552 ( -21.529 6.186 -6.229) 23.250 4.753 ( -12.623 -13.353 9.025) 20.472 5.216 ( 4.517 2.094 3.164) 5.899 5.847 ( -14.739 10.039 -4.090) 18.296 5.980 ( 8.612 -6.848 4.650) 11.945 6.387 ( -2.119 3.769 -0.634) 4.370 6.616 ( -2.723 3.133 0.171) 4.154 6.933 ( 3.228 -12.678 -4.985) 14.000 7.112 ( 6.055 6.558 5.505) 10.487 7.682 ( -9.637 3.443 0.754) 10.261 7.830 ( -4.725 0.625 -0.312) 4.777 8.296 ( -0.638 -5.422 3.174) 6.315 8.379 ( 6.288 -5.915 -2.500) 8.987 8.461 ( -7.785 5.531 -6.972) 11.824 8.755 ( -7.230 -2.797 5.460) 9.482 8.892 ( -4.649 -3.135 -11.518) 12.810 8.990 ( 3.785 -0.206 -1.009) 3.923 9.213 ( 9.589 -3.166 1.338) 10.186 9.575 ( -0.354 -6.652 1.065) 6.746 9.984 ( 3.619 -2.704 -0.938) 4.614 10.183 ( -0.669 -3.698 5.880) 6.978 10.368 ( -5.738 -3.038 4.761) 8.051 10.584 ( 4.208 1.973 1.070) 4.769 10.713 ( 0.633 -1.871 4.193) 4.635 10.751 ( -3.737 -3.312 -3.731) 6.233 10.923 ( 1.254 4.165 -2.637) 5.087 11.101 ( -0.005 -5.097 -1.117) 5.218 11.310 ( -0.019 -1.838 -3.542) 3.990 11.570 ( -8.250 -1.501 -1.676) 8.551 11.598 ( 9.157 -0.490 -2.947) 9.632 11.731 ( -1.164 4.160 6.113) 7.486 11.855 ( 3.177 4.463 -2.698) 6.106 12.200 ( -9.687 -1.857 -3.033) 10.319 12.465 ( 9.165 2.810 5.172) 10.892 12.766 ( 3.832 -2.937 -7.123) 8.605 12.882 ( 1.271 -2.059 -10.727) 10.996 13.039 ( -0.886 -3.195 3.071) 4.520 13.373 ( 4.119 3.721 5.203) 7.608 13.473 ( -13.292 -6.027 -0.526) 14.604 13.747 ( 3.294 4.298 1.877) 5.731 14.184 ( -4.721 8.813 0.248) 10.001 14.235 ( -2.278 3.309 9.455) 10.273 14.452 ( 5.547 6.928 3.794) 9.652 14.566 ( 1.773 -3.556 -0.530) 4.009 14.763 ( 8.195 2.727 -0.438) 8.648 14.935 ( -4.872 -6.564 5.842) 10.047 15.375 ( 1.706 1.909 -3.011) 3.952 15.507 ( -1.877 -1.398 1.401) 2.728 15.734 ( 3.989 2.287 1.434) 4.817 16.222 ( -2.471 0.932 -2.250) 3.470 16.530 ( 3.171 -3.381 -5.009) 6.824 17.069 ( 8.081 8.208 -16.800) 20.370 17.244 ( 4.377 -15.639 3.533) 16.620 18.417 ( -10.791 9.155 2.592) 14.387 19.081 ( -20.285 -9.599 23.426) 32.441 20.712 ( 20.107 -3.853 -11.220) 23.346 21.802 ( -8.627 -14.316 -1.273) 16.763 21.922 ( 15.300 1.772 -0.125) 15.403 23.638 ( -1.297 -2.089 2.583) 3.567 24.115 ( -2.343 4.464 -0.162) 5.044 24.355 ( 4.937 6.954 -2.762) 8.965 ======================= Grid point 258 (111/204) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -32.230 7.563 6.098) 33.662 2.395 ( -11.764 18.181 21.406) 30.449 2.850 ( -3.075 1.935 -5.067) 6.235 3.804 ( -40.672 19.172 5.361) 45.282 3.858 ( -8.094 6.674 -17.924) 20.768 4.124 ( -10.049 6.089 -13.314) 17.757 4.832 ( -5.199 -8.044 5.063) 10.834 5.071 ( -10.839 4.132 -10.479) 15.632 5.693 ( -2.546 -1.011 10.934) 11.272 6.158 ( -9.540 -0.795 7.870) 12.393 6.347 ( 10.068 -0.463 3.396) 10.635 6.556 ( -0.740 -1.306 3.132) 3.473 7.021 ( 2.184 -3.949 -13.097) 13.853 7.226 ( 5.006 -5.281 3.861) 8.237 7.503 ( -7.201 6.865 4.067) 10.748 7.724 ( -4.753 2.751 0.083) 5.493 8.159 ( -13.436 4.604 0.418) 14.209 8.365 ( -2.420 -6.009 1.625) 6.678 8.591 ( 8.911 -4.810 -6.108) 11.826 8.728 ( -2.116 -3.069 -0.364) 3.745 8.831 ( 0.674 -4.466 -5.038) 6.767 9.071 ( 6.233 1.240 2.225) 6.733 9.395 ( 8.438 -2.704 -1.239) 8.947 9.646 ( -1.150 -8.210 -0.927) 8.342 9.984 ( -4.582 -1.336 3.979) 6.214 10.250 ( 2.623 3.552 3.467) 5.614 10.341 ( -4.210 -7.922 0.597) 8.991 10.527 ( -8.630 2.737 -4.405) 10.068 10.710 ( -2.226 -1.152 -3.343) 4.178 10.772 ( 1.826 -5.129 5.171) 7.509 10.871 ( -1.367 1.681 -2.583) 3.372 11.209 ( 1.006 -9.330 2.635) 9.747 11.314 ( 1.564 -2.155 -7.312) 7.782 11.455 ( -4.840 -1.124 -2.097) 5.393 11.687 ( 0.811 -0.496 0.331) 1.006 11.783 ( 10.191 1.812 -0.745) 10.377 11.891 ( 7.193 3.273 -2.517) 8.294 12.053 ( -10.501 -4.708 -3.308) 11.975 12.543 ( 3.031 6.621 6.057) 9.472 12.769 ( -0.845 -1.017 -9.645) 9.735 12.831 ( -3.052 3.319 -7.216) 8.509 13.058 ( -5.753 -4.148 5.300) 8.854 13.323 ( -7.388 -1.228 5.421) 9.246 13.449 ( 5.355 1.874 3.507) 6.670 13.693 ( -0.036 10.105 1.584) 10.229 14.125 ( 4.920 3.636 1.311) 6.256 14.208 ( -2.359 2.520 8.413) 9.094 14.532 ( 8.400 4.950 3.197) 10.261 14.630 ( 1.197 -5.587 -6.090) 8.351 14.931 ( 0.682 -3.323 7.188) 7.948 14.935 ( 7.133 -0.351 0.661) 7.172 15.332 ( -1.531 4.977 -2.351) 5.713 15.467 ( -7.428 -3.758 -6.341) 10.465 15.699 ( -1.742 4.283 -3.396) 5.737 16.199 ( 1.004 -1.223 5.038) 5.280 16.581 ( 3.903 -0.680 -5.016) 6.392 17.080 ( 7.074 4.313 -12.122) 14.683 17.490 ( 4.995 -14.126 3.693) 15.431 18.185 ( -7.996 8.134 4.157) 12.140 18.940 ( -19.982 -8.445 20.285) 29.700 21.028 ( 13.620 -12.039 -6.100) 19.174 21.811 ( -6.418 -12.107 2.130) 13.867 22.212 ( 20.076 -2.801 -2.616) 20.439 23.647 ( -2.048 -3.007 2.693) 4.526 24.021 ( -2.540 5.788 -1.041) 6.406 24.344 ( 6.623 10.994 -4.338) 13.548 ======================= Grid point 259 (112/204) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -26.262 -2.747 23.047) 35.049 2.050 ( -20.652 18.261 23.205) 36.033 2.734 ( -6.506 7.440 2.151) 10.115 2.950 ( -41.431 20.931 19.085) 50.189 3.600 ( -7.407 -2.713 -29.923) 30.945 3.909 ( -2.565 6.655 -15.833) 17.366 4.564 ( -11.219 12.707 -8.083) 18.780 5.023 ( -4.770 -6.787 -2.286) 8.605 5.691 ( -10.265 -3.695 12.888) 16.886 5.954 ( -5.780 5.940 2.618) 8.692 6.384 ( -4.379 -1.244 -9.139) 10.210 6.803 ( 6.045 -12.268 17.631) 22.314 6.997 ( 2.234 -1.435 -12.760) 13.034 7.356 ( -4.824 7.023 8.829) 12.269 7.400 ( 8.066 -6.642 1.365) 10.538 7.672 ( 1.404 2.605 1.987) 3.564 7.937 ( -9.172 2.818 0.348) 9.601 8.347 ( -8.466 -4.146 4.358) 10.385 8.668 ( 3.114 -1.322 -2.980) 4.508 8.738 ( 4.648 0.471 -6.713) 8.179 8.989 ( 6.530 -6.254 5.294) 10.477 9.200 ( 11.077 1.497 3.264) 11.645 9.520 ( 5.449 -2.004 -2.731) 6.416 9.664 ( -4.461 -6.457 -3.996) 8.807 9.936 ( -5.790 -1.565 7.756) 9.804 10.148 ( -7.637 10.838 2.587) 13.508 10.339 ( -9.261 -4.626 -3.308) 10.868 10.421 ( 4.752 -5.012 -7.057) 9.874 10.640 ( -4.701 0.817 -1.997) 5.172 10.796 ( -3.161 1.384 -4.481) 5.656 10.931 ( 7.824 -5.335 -2.687) 9.844 11.217 ( -10.060 -6.991 1.370) 12.327 11.353 ( 1.229 -3.565 -3.016) 4.829 11.508 ( 8.408 -4.865 -2.648) 10.069 11.711 ( 2.471 0.604 1.588) 2.999 11.900 ( -4.371 -5.209 -2.874) 7.382 11.938 ( 3.499 -0.595 -1.032) 3.696 12.005 ( 6.384 -0.174 -1.972) 6.684 12.423 ( -12.982 7.272 1.654) 14.971 12.692 ( -0.552 4.607 3.473) 5.796 12.769 ( 6.831 7.014 -3.596) 10.430 12.968 ( -9.745 -1.404 2.401) 10.135 13.292 ( -2.762 -1.167 6.351) 7.023 13.563 ( 7.962 1.987 4.944) 9.580 13.637 ( 4.051 7.381 2.142) 8.688 14.172 ( -3.347 -0.169 6.023) 6.892 14.211 ( 4.914 2.910 1.341) 5.866 14.566 ( -13.586 -1.226 -16.431) 21.355 14.630 ( 3.874 -2.358 -4.344) 6.280 14.846 ( -0.913 3.706 -4.851) 6.172 15.158 ( 3.667 0.452 4.269) 5.646 15.185 ( -1.805 4.406 -1.171) 4.903 15.319 ( -6.280 -1.429 -6.143) 8.901 15.648 ( -0.320 1.988 0.820) 2.174 16.371 ( 8.279 -7.389 17.609) 20.814 16.651 ( 7.821 1.514 3.277) 8.614 17.079 ( 3.591 2.889 -12.178) 13.021 17.693 ( 3.814 -9.378 4.161) 10.945 18.053 ( -2.422 5.373 3.933) 7.085 18.771 ( -19.933 -6.980 15.901) 26.437 21.322 ( 8.252 -14.102 -1.384) 16.398 21.866 ( -6.706 -18.544 4.101) 20.141 22.573 ( 23.453 -1.258 -4.021) 23.828 23.652 ( -3.589 -4.723 2.764) 6.544 23.921 ( -1.851 5.699 -1.853) 6.272 24.302 ( 5.860 14.479 -8.874) 17.964 ======================= Grid point 260 (113/204) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -14.732 -11.705 36.013) 40.632 1.556 ( -30.028 11.131 24.828) 40.522 2.394 ( -14.486 20.661 50.173) 56.161 2.513 ( -12.024 5.988 -7.966) 15.617 3.456 ( -2.896 -8.453 -34.897) 36.023 3.789 ( 7.690 7.007 -19.413) 22.025 4.337 ( -3.494 5.630 0.149) 6.628 4.900 ( -8.406 1.800 -15.169) 17.436 5.544 ( -13.591 -0.545 16.386) 21.296 5.976 ( 7.229 0.157 3.471) 8.020 6.261 ( -4.576 -1.095 -13.009) 13.834 6.854 ( -9.502 -8.040 -8.366) 14.998 7.029 ( -1.912 4.731 9.469) 10.756 7.358 ( 4.991 1.245 6.323) 8.151 7.619 ( 6.427 -6.019 2.087) 9.049 7.752 ( 7.897 1.418 6.229) 10.157 7.890 ( 7.542 -3.623 7.806) 11.443 8.226 ( -12.006 -1.270 6.616) 13.767 8.747 ( 7.787 -1.207 -3.441) 8.599 8.827 ( 8.214 0.938 1.088) 8.339 9.141 ( 4.600 -2.411 8.315) 9.804 9.381 ( 6.056 -3.103 -1.765) 7.030 9.595 ( 3.256 -0.707 -3.267) 4.667 9.650 ( 0.071 -5.773 -4.895) 7.569 9.870 ( -4.265 11.083 -2.122) 12.064 9.903 ( -9.469 1.431 10.875) 14.491 10.256 ( -6.580 -3.611 0.493) 7.522 10.517 ( 2.370 -0.516 -14.980) 15.175 10.552 ( 0.118 -0.477 2.566) 2.613 10.700 ( -1.655 2.451 -9.265) 9.725 11.075 ( -0.639 -2.894 -3.779) 4.803 11.090 ( -4.269 -2.780 -3.046) 5.935 11.422 ( 2.868 -4.667 -1.388) 5.651 11.682 ( 6.552 -2.915 1.703) 7.370 11.777 ( -0.940 -4.710 -0.753) 4.862 11.823 ( -3.110 -5.085 -0.103) 5.961 11.973 ( -5.270 3.471 2.016) 6.625 12.070 ( -3.797 -0.550 0.123) 3.839 12.194 ( 7.111 6.571 -2.281) 9.947 12.727 ( -9.415 -3.580 8.539) 13.205 12.815 ( 0.904 1.254 -0.968) 1.824 12.893 ( 20.304 11.145 1.783) 23.230 13.272 ( -4.457 0.174 6.852) 8.176 13.624 ( -3.672 2.044 3.130) 5.240 13.721 ( 6.615 0.863 3.124) 7.366 13.875 ( -28.829 2.790 -18.375) 34.301 14.238 ( -0.619 3.443 4.028) 5.335 14.251 ( -3.115 0.547 1.623) 3.555 14.741 ( 9.231 -1.562 -5.557) 10.887 14.862 ( 6.530 4.113 -3.014) 8.285 15.009 ( -10.500 -1.714 0.797) 10.668 15.179 ( -5.902 0.459 -2.069) 6.271 15.355 ( 7.066 1.573 4.184) 8.361 15.631 ( -0.797 0.584 -0.133) 0.997 16.542 ( -1.063 -3.009 6.325) 7.084 16.906 ( 6.803 -2.535 -1.633) 7.441 17.184 ( 27.539 -0.571 9.332) 29.083 17.851 ( 5.090 -6.597 6.214) 10.394 18.008 ( 0.969 4.436 0.909) 4.631 18.565 ( -19.150 -3.931 9.562) 21.762 21.539 ( 5.532 -6.369 3.600) 9.172 21.992 ( -6.486 -24.700 -1.161) 25.563 22.939 ( 22.985 0.752 -1.224) 23.030 23.651 ( -6.039 -8.846 2.128) 10.921 23.843 ( -0.499 3.966 -2.475) 4.702 24.088 ( -9.075 19.640 -14.169) 25.862 ======================= Grid point 262 (114/204) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 30.114 0.000 21.731) 37.136 2.256 ( 21.751 0.000 22.073) 30.989 2.738 ( 28.214 0.000 1.797) 28.271 2.840 ( 7.735 0.000 -3.337) 8.424 3.076 ( 2.321 0.000 -13.351) 13.551 4.107 ( -0.714 -0.000 -36.922) 36.928 4.450 ( 11.149 0.000 -5.972) 12.648 4.588 ( 19.218 0.000 11.101) 22.194 5.689 ( 1.035 0.000 9.576) 9.632 6.213 ( 1.983 0.000 0.170) 1.990 6.297 ( 11.117 0.000 -10.034) 14.976 6.548 ( 4.338 0.000 11.122) 11.938 7.290 ( 9.352 0.000 4.091) 10.208 7.486 ( -2.657 -0.000 -9.570) 9.932 7.636 ( -2.053 -0.000 11.734) 11.913 7.787 ( -0.921 -0.000 2.596) 2.754 7.881 ( -2.816 -0.000 -4.684) 5.466 8.649 ( -14.592 -0.000 -21.531) 26.010 8.751 ( 3.010 0.000 -4.586) 5.485 8.913 ( -5.392 -0.000 -12.406) 13.527 9.215 ( 3.319 0.000 15.886) 16.229 9.305 ( -8.765 -0.000 1.676) 8.923 9.526 ( 0.593 0.000 -2.583) 2.650 9.609 ( -2.441 -0.000 -12.876) 13.105 9.853 ( -3.646 -0.000 9.041) 9.748 9.858 ( 7.876 0.000 7.549) 10.910 10.229 ( 1.774 0.000 4.201) 4.561 10.278 ( 4.529 0.000 0.358) 4.543 10.647 ( -0.962 -0.000 -0.258) 0.996 10.804 ( 3.366 0.000 -1.630) 3.740 10.871 ( 4.838 0.000 -10.644) 11.692 11.299 ( 3.413 0.000 -1.093) 3.584 11.437 ( -4.324 -0.000 -2.668) 5.081 11.492 ( -7.386 -0.000 7.947) 10.849 11.624 ( -2.521 -0.000 -2.446) 3.513 11.844 ( -4.138 -0.000 4.793) 6.332 11.937 ( 4.307 0.000 3.124) 5.321 12.063 ( 2.610 0.000 -2.913) 3.911 12.300 ( 5.313 0.000 3.550) 6.390 12.719 ( -4.562 -0.000 -6.157) 7.663 12.723 ( -5.613 -0.000 -5.055) 7.554 13.193 ( 11.295 0.000 4.029) 11.992 13.495 ( 1.233 0.000 0.152) 1.242 13.549 ( 1.246 0.000 1.330) 1.822 13.762 ( -6.372 -0.000 -6.176) 8.874 13.859 ( 23.606 0.000 12.170) 26.559 14.084 ( -6.794 -0.000 6.633) 9.495 14.417 ( 1.879 0.000 -3.196) 3.708 14.600 ( -1.303 -0.000 -5.389) 5.544 14.686 ( -8.005 -0.000 -1.713) 8.186 15.112 ( 0.955 0.000 4.799) 4.894 15.265 ( 4.804 0.000 -2.358) 5.351 15.382 ( -7.836 -0.000 -4.570) 9.071 15.576 ( 2.609 0.000 4.180) 4.928 16.533 ( -2.810 -0.000 8.014) 8.492 16.673 ( -5.577 -0.000 -3.615) 6.646 17.402 ( -16.845 -0.000 -17.828) 24.527 17.969 ( 4.496 0.000 1.666) 4.795 18.008 ( -3.996 -0.000 -3.568) 5.357 19.631 ( 30.126 0.000 -21.720) 37.139 21.655 ( -11.783 -0.000 -6.620) 13.515 21.815 ( -12.819 -0.000 6.704) 14.466 22.082 ( -23.430 -0.000 18.614) 29.924 23.705 ( 2.564 0.000 9.377) 9.722 23.769 ( 4.291 0.000 3.296) 5.411 23.879 ( 4.047 0.000 -2.487) 4.750 ======================= Grid point 263 (115/204) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 20.590 25.165 15.725) 36.118 2.768 ( 24.477 0.834 13.454) 27.943 2.953 ( 14.099 4.057 -20.057) 24.850 3.090 ( 19.849 -2.377 -3.615) 20.315 3.327 ( 11.453 -25.112 6.506) 28.357 4.073 ( 6.008 -15.079 -23.359) 28.445 4.586 ( 7.151 -2.029 -6.958) 10.182 4.984 ( 21.160 0.171 9.105) 23.037 5.689 ( -1.736 0.048 4.994) 5.287 6.357 ( 12.164 2.429 2.643) 12.682 6.416 ( 5.056 -2.114 -3.329) 6.412 6.625 ( 2.652 2.222 10.655) 11.203 7.323 ( -10.258 5.497 -8.189) 14.230 7.441 ( 8.316 3.488 -3.790) 9.782 7.642 ( -2.172 1.627 -3.249) 4.233 7.712 ( -1.026 1.653 2.581) 3.233 7.941 ( 6.601 -4.501 1.320) 8.098 8.381 ( -8.905 -6.280 -8.632) 13.902 8.733 ( -1.559 4.388 -9.658) 10.722 8.784 ( -3.849 0.308 -11.648) 12.271 9.138 ( -7.360 2.746 -2.852) 8.357 9.274 ( -0.419 9.402 8.090) 12.411 9.441 ( -2.658 5.570 1.582) 6.372 9.544 ( -3.082 -4.285 1.126) 5.397 9.871 ( 2.616 1.085 1.586) 3.246 10.081 ( 9.095 -5.107 9.040) 13.803 10.266 ( 0.502 -0.535 5.809) 5.855 10.390 ( 6.642 -1.160 0.070) 6.743 10.627 ( -0.496 4.244 2.244) 4.826 10.869 ( 6.392 1.818 0.348) 6.654 10.920 ( 3.919 -4.418 -6.877) 9.065 11.234 ( -2.256 10.094 2.371) 10.611 11.393 ( -6.749 -0.364 -1.902) 7.021 11.434 ( -2.436 -7.501 0.556) 7.906 11.611 ( 5.193 4.624 -1.922) 7.214 11.735 ( -9.957 2.279 0.556) 10.230 12.006 ( -1.955 -3.253 2.028) 4.303 12.109 ( 8.521 2.849 -5.336) 10.450 12.278 ( -9.646 -3.981 8.916) 13.726 12.656 ( 1.306 1.596 -6.259) 6.590 12.785 ( 9.232 -2.419 -5.222) 10.879 13.185 ( -7.354 1.430 2.393) 7.864 13.510 ( -1.468 -1.214 1.792) 2.615 13.593 ( -2.562 1.859 -2.578) 4.082 13.704 ( 5.212 -3.651 -5.023) 8.107 13.995 ( -5.074 -1.556 5.331) 7.523 14.352 ( 22.398 3.210 17.051) 28.333 14.405 ( -2.098 -5.143 -1.941) 5.884 14.573 ( 3.239 1.285 -5.566) 6.567 14.621 ( -1.561 -4.802 -0.722) 5.100 15.122 ( -2.347 0.202 6.133) 6.570 15.220 ( -9.236 0.090 -6.518) 11.304 15.309 ( 1.493 -0.513 0.417) 1.633 15.617 ( 0.515 0.972 3.021) 3.215 16.484 ( -7.364 0.971 6.107) 9.616 16.572 ( -5.653 0.657 -1.775) 5.961 17.069 ( -11.881 1.261 -19.184) 22.600 17.879 ( 0.029 10.861 -3.204) 11.324 18.110 ( 3.410 -10.284 -1.863) 10.993 19.877 ( 9.242 0.522 -6.409) 11.259 21.061 ( -16.721 38.319 2.127) 41.862 21.733 ( -19.633 -27.304 -6.937) 34.338 22.068 ( 1.926 3.978 12.943) 13.677 23.702 ( -1.962 2.856 4.060) 5.337 23.896 ( 6.293 -2.910 2.139) 7.256 23.982 ( 3.702 -7.012 0.984) 7.990 ======================= Grid point 264 (116/204) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 16.865 24.398 11.355) 31.759 2.948 ( 19.779 16.939 -17.478) 31.362 3.241 ( 14.348 -6.000 15.105) 21.680 3.358 ( 8.712 -7.046 -20.093) 23.006 3.828 ( 15.824 -25.245 9.336) 31.223 4.389 ( 16.682 -18.059 -7.081) 25.584 4.694 ( 4.843 -4.841 2.786) 7.392 5.240 ( 10.182 5.144 2.629) 11.707 5.706 ( 0.364 -0.786 4.157) 4.247 6.383 ( -5.944 -0.499 -0.564) 5.992 6.530 ( 4.447 1.551 -2.368) 5.272 6.716 ( 3.070 -3.004 1.350) 4.503 6.976 ( -7.865 15.677 -7.507) 19.078 7.424 ( 3.824 9.599 -8.709) 13.513 7.642 ( -0.275 -8.053 -2.881) 8.558 7.805 ( 6.823 -3.219 5.174) 9.148 8.081 ( 1.446 -4.397 0.883) 4.712 8.373 ( -1.479 -5.613 0.104) 5.805 8.600 ( -2.601 2.137 -6.551) 7.365 8.684 ( -0.683 2.077 -9.152) 9.410 9.025 ( -2.284 3.549 -4.171) 5.934 9.123 ( -4.692 9.859 0.124) 10.919 9.363 ( -3.528 3.332 0.001) 4.853 9.589 ( 2.526 0.709 7.435) 7.884 9.883 ( 0.105 3.372 1.554) 3.715 10.263 ( 6.102 3.034 13.310) 14.953 10.351 ( 4.265 -4.051 4.139) 7.193 10.470 ( 2.265 0.518 -2.637) 3.514 10.574 ( -1.195 1.690 1.715) 2.688 10.912 ( 3.026 4.476 -0.092) 5.403 11.053 ( 6.615 -2.474 1.453) 7.211 11.183 ( 0.126 3.619 -5.049) 6.213 11.190 ( -10.232 0.396 -0.618) 10.258 11.455 ( -2.396 -2.700 -0.431) 3.635 11.544 ( -7.874 1.301 -0.710) 8.012 11.711 ( 10.918 1.914 -1.088) 11.137 11.960 ( -5.784 -3.635 -2.468) 7.263 12.208 ( -6.629 -2.006 10.267) 12.385 12.238 ( 8.290 0.930 0.143) 8.344 12.648 ( 1.322 0.646 -6.610) 6.772 12.882 ( 2.363 1.506 -1.461) 3.160 13.077 ( -3.740 1.355 -0.296) 3.989 13.420 ( -8.843 -2.382 -1.949) 9.363 13.594 ( 0.120 -1.587 3.458) 3.806 13.723 ( -3.216 -2.296 -1.320) 4.166 14.056 ( 7.213 -1.858 -0.643) 7.476 14.334 ( -7.973 -7.913 -0.660) 11.252 14.548 ( 4.865 4.561 0.460) 6.685 14.635 ( 4.197 -1.942 -6.956) 8.353 14.874 ( 14.891 -1.362 13.214) 19.955 15.047 ( -6.166 -1.141 -4.107) 7.496 15.088 ( -4.380 0.707 6.607) 7.958 15.353 ( 2.376 -1.954 2.889) 4.220 15.592 ( -2.660 2.753 2.975) 4.848 16.308 ( -12.861 1.565 -1.198) 13.011 16.476 ( -3.004 1.941 -0.709) 3.646 16.884 ( -5.813 -3.958 -12.237) 14.114 17.756 ( 2.360 14.453 -5.831) 15.763 18.283 ( 5.872 -11.674 -2.483) 13.301 19.853 ( -18.297 -1.965 19.997) 27.176 20.571 ( 4.483 30.688 -15.958) 34.878 21.620 ( -19.554 -20.692 -8.593) 29.738 22.099 ( 5.730 11.747 9.983) 16.446 23.654 ( -2.561 1.497 2.533) 3.901 24.032 ( 5.698 -4.313 -1.183) 7.244 24.115 ( 3.218 -6.638 2.410) 7.760 ======================= Grid point 265 (117/204) ======================= q-point: ( 0.36 0.09 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 14.383 19.614 10.882) 26.646 3.082 ( 21.871 14.352 -5.090) 26.650 3.336 ( -6.256 -10.149 -26.424) 28.989 3.542 ( 8.454 -2.348 10.878) 13.976 4.328 ( 16.810 -12.338 10.683) 23.429 4.762 ( 12.038 -5.020 -2.639) 13.307 4.857 ( 4.601 -7.091 7.520) 11.314 5.302 ( 5.588 2.692 0.337) 6.211 5.717 ( -5.844 -4.653 3.332) 8.180 6.167 ( -14.382 3.979 -6.881) 16.433 6.435 ( -5.437 -1.466 -9.996) 11.474 6.729 ( 2.115 1.672 -4.783) 5.491 6.938 ( 6.387 4.831 5.143) 9.517 7.342 ( 0.016 5.713 -10.827) 12.241 7.683 ( -4.197 -5.256 1.902) 6.990 7.994 ( 5.701 -0.142 6.432) 8.596 8.034 ( -2.095 -2.859 -2.901) 4.580 8.409 ( 1.539 0.757 0.717) 1.859 8.571 ( 0.062 -1.429 -1.567) 2.121 8.700 ( 2.604 -5.063 -4.662) 7.358 8.886 ( -7.678 2.771 -4.795) 9.466 9.004 ( -1.129 5.369 -1.015) 5.580 9.283 ( -2.475 2.670 -0.286) 3.652 9.640 ( 3.752 2.327 2.653) 5.151 9.809 ( -3.761 7.148 2.314) 8.402 10.331 ( -6.062 6.421 6.682) 11.074 10.394 ( 7.733 1.547 7.441) 10.843 10.525 ( 1.111 -4.866 1.981) 5.370 10.600 ( 3.642 -0.552 -2.463) 4.431 10.805 ( -10.845 7.163 -0.982) 13.034 10.984 ( -0.983 0.830 -3.136) 3.390 11.153 ( 5.469 1.294 -0.679) 5.661 11.271 ( -0.354 -1.514 0.836) 1.765 11.437 ( 1.478 -0.903 -4.399) 4.728 11.488 ( -0.090 -4.430 1.090) 4.563 11.875 ( 4.860 0.287 2.583) 5.511 11.925 ( 3.001 -1.427 -0.661) 3.388 12.153 ( -5.075 0.332 12.299) 13.309 12.362 ( 7.290 0.903 -2.108) 7.642 12.618 ( -1.099 0.217 -5.741) 5.849 12.847 ( -1.357 2.157 -2.963) 3.909 13.025 ( -2.948 -1.172 -1.371) 3.456 13.303 ( -9.661 -5.283 1.141) 11.070 13.599 ( 0.260 1.624 2.576) 3.056 13.723 ( 0.027 -1.534 -1.189) 1.941 14.187 ( 5.495 -3.395 1.075) 6.548 14.298 ( -6.674 -7.720 1.963) 10.392 14.564 ( 2.503 3.393 -2.121) 4.720 14.664 ( -1.194 -0.950 -10.224) 10.337 14.843 ( -1.691 -0.357 -8.660) 8.831 15.015 ( -7.063 1.589 10.195) 12.504 15.249 ( 12.636 3.431 10.613) 16.854 15.445 ( 1.520 -3.187 6.741) 7.610 15.540 ( 0.751 1.560 2.372) 2.936 16.127 ( -7.208 -2.870 -1.828) 7.970 16.432 ( -0.980 1.359 1.014) 1.958 16.812 ( -5.822 -8.207 -8.894) 13.429 17.614 ( 3.421 16.935 -10.954) 20.457 18.497 ( 7.650 -9.659 -0.890) 12.353 19.521 ( -33.035 0.226 28.796) 43.824 20.460 ( 17.113 17.003 -20.899) 31.917 21.469 ( -17.422 -16.914 -7.331) 25.364 22.109 ( 8.056 15.225 7.300) 18.708 23.618 ( -2.267 -0.187 2.108) 3.101 24.141 ( 3.211 -3.502 -0.937) 4.843 24.234 ( 4.135 -4.557 0.484) 6.172 ======================= Grid point 266 (118/204) ======================= q-point: (-0.55 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 6.558 16.197 9.320) 19.804 3.106 ( -5.767 4.194 -22.503) 23.606 3.337 ( 8.736 1.934 3.934) 9.774 3.669 ( 6.839 2.378 5.843) 9.304 4.676 ( 9.376 4.725 10.023) 14.516 4.740 ( -3.105 2.093 4.670) 5.986 4.998 ( -3.566 -2.224 -7.566) 8.654 5.353 ( 2.954 7.423 0.383) 7.998 5.620 ( -6.743 -8.691 1.284) 11.075 6.070 ( -1.595 -8.763 1.500) 9.032 6.351 ( -5.762 -7.316 -8.902) 12.883 6.724 ( 3.035 2.893 -5.200) 6.680 6.897 ( -4.534 12.284 1.348) 13.163 7.259 ( -0.753 -1.785 -9.820) 10.010 7.645 ( -3.980 -0.687 7.433) 8.460 7.955 ( -4.747 -0.683 3.493) 5.933 8.159 ( 2.721 -3.467 -4.505) 6.303 8.383 ( 0.250 5.499 2.077) 5.883 8.610 ( -1.433 -1.834 3.675) 4.350 8.712 ( 0.315 -5.283 -5.507) 7.638 8.822 ( -1.410 -5.774 -7.079) 9.243 8.922 ( -5.622 -0.285 -0.656) 5.668 9.205 ( -4.179 4.310 3.711) 7.058 9.652 ( -3.962 6.377 -1.666) 7.690 9.736 ( 7.792 0.061 -0.300) 7.798 10.197 ( -7.492 2.353 6.215) 10.014 10.468 ( -9.557 2.345 5.028) 11.051 10.520 ( 5.994 0.201 1.507) 6.184 10.657 ( 2.636 -0.577 -2.485) 3.668 10.686 ( 0.585 -2.417 -1.130) 2.732 10.981 ( 3.233 3.772 -1.878) 5.311 11.155 ( -1.278 3.893 -0.241) 4.105 11.255 ( -3.458 -5.381 -4.525) 7.835 11.474 ( 4.923 0.099 0.284) 4.932 11.574 ( -0.055 -5.092 -1.952) 5.454 11.883 ( 0.060 0.645 2.519) 2.602 11.952 ( -2.377 6.037 7.852) 10.186 12.256 ( 10.769 -0.690 6.571) 12.634 12.381 ( -1.438 3.554 -3.270) 5.038 12.606 ( 1.728 -3.529 -2.489) 4.651 12.822 ( 2.603 -0.901 -9.257) 9.658 12.977 ( -5.374 -3.853 -0.715) 6.651 13.259 ( -4.390 -6.605 4.200) 8.974 13.598 ( -1.355 1.686 0.809) 2.309 13.716 ( 1.719 1.845 0.599) 2.592 14.245 ( -5.958 -5.271 1.757) 8.147 14.334 ( 3.584 -3.573 4.629) 6.858 14.535 ( -2.080 2.628 -6.035) 6.904 14.579 ( -1.731 -0.593 -4.286) 4.660 14.831 ( 4.375 6.555 -4.497) 9.073 14.919 ( -7.850 0.544 9.259) 12.151 15.343 ( 2.624 1.691 1.230) 3.355 15.507 ( 1.178 -1.590 0.749) 2.116 15.634 ( 7.875 1.304 6.229) 10.125 16.156 ( 1.955 -8.863 2.466) 9.405 16.408 ( -1.766 0.533 1.273) 2.241 16.801 ( -2.801 -11.392 -6.181) 13.260 17.445 ( 3.249 16.274 -15.509) 22.714 18.663 ( 3.751 -1.928 0.451) 4.242 19.119 ( -30.776 -3.704 25.232) 39.969 20.537 ( 15.425 7.483 -13.642) 21.909 21.362 ( -12.429 -17.136 -7.281) 22.386 22.131 ( 10.989 16.276 6.329) 20.633 23.601 ( -1.909 -1.255 2.119) 3.116 24.191 ( 0.613 -0.829 0.115) 1.037 24.340 ( 5.029 -2.363 -1.958) 5.891 ======================= Grid point 267 (119/204) ======================= q-point: (-0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -7.887 16.564 4.209) 18.822 2.838 ( -10.836 -0.870 -23.828) 26.191 3.282 ( -0.228 25.234 15.357) 29.541 3.922 ( 16.754 -4.536 5.553) 18.224 4.481 ( -14.898 0.946 -7.112) 16.536 4.691 ( -16.692 5.806 -8.153) 19.462 4.805 ( -8.096 14.598 10.299) 19.614 5.320 ( 6.431 7.320 5.816) 11.347 5.789 ( 7.294 -11.487 5.387) 14.635 5.983 ( -14.570 1.204 -5.643) 15.671 6.380 ( -0.811 -9.608 -3.050) 10.113 6.659 ( -8.852 4.432 1.438) 10.003 6.760 ( 2.989 0.881 -2.203) 3.817 7.234 ( 1.353 1.552 -8.009) 8.269 7.660 ( -1.362 -1.931 7.954) 8.298 7.858 ( -7.548 0.543 1.531) 7.721 8.183 ( 0.427 -5.499 -5.928) 8.097 8.352 ( 0.618 3.010 2.677) 4.075 8.571 ( -5.853 3.762 0.150) 6.959 8.684 ( -12.103 -3.989 0.402) 12.750 8.804 ( -2.920 -5.595 -5.738) 8.529 8.927 ( 4.526 -6.629 -2.585) 8.432 9.169 ( 3.302 0.218 3.879) 5.099 9.554 ( -0.112 4.026 -1.458) 4.283 9.900 ( 8.363 -5.225 -5.070) 11.088 10.106 ( -6.383 -1.682 6.667) 9.382 10.341 ( -7.258 -0.962 4.293) 8.487 10.600 ( 2.710 -1.107 1.866) 3.471 10.681 ( -1.095 -2.475 -2.372) 3.599 10.707 ( -0.031 0.566 1.192) 1.320 10.991 ( 2.717 1.910 -3.596) 4.895 11.069 ( -4.377 3.233 0.302) 5.450 11.249 ( -0.609 -4.853 -4.699) 6.782 11.525 ( -6.020 -2.714 -1.475) 6.766 11.575 ( 3.823 -1.606 -2.623) 4.907 11.862 ( 0.372 8.719 5.439) 10.282 11.920 ( 2.890 1.746 -0.807) 3.472 12.190 ( -10.965 0.929 -2.847) 11.367 12.519 ( 12.170 2.819 8.764) 15.260 12.691 ( 4.047 -4.728 -5.372) 8.221 12.852 ( 4.384 -0.996 -10.276) 11.217 12.950 ( -3.871 -5.727 1.848) 7.155 13.279 ( -5.670 -8.336 0.377) 10.089 13.517 ( -1.597 5.796 3.432) 6.923 13.796 ( 6.672 0.683 4.506) 8.080 14.210 ( -4.156 -3.588 2.626) 6.086 14.352 ( -7.096 3.889 0.802) 8.132 14.483 ( 2.982 -1.625 -2.235) 4.065 14.561 ( -0.071 2.303 2.954) 3.747 14.847 ( 6.077 5.010 1.097) 7.952 14.858 ( -1.691 -0.830 4.893) 5.243 15.374 ( 1.195 -1.654 -3.074) 3.690 15.509 ( 0.201 1.507 -2.008) 2.519 15.770 ( 6.669 1.419 3.389) 7.614 16.252 ( -0.835 -0.101 1.940) 2.115 16.411 ( 0.878 -6.670 -3.044) 7.384 16.913 ( 2.781 -14.515 -2.103) 14.928 17.296 ( 3.895 11.643 -13.764) 18.444 18.564 ( -14.318 5.449 5.460) 16.264 18.905 ( -15.024 -7.702 17.479) 24.301 20.673 ( 9.975 -0.850 -5.289) 11.323 21.356 ( -6.392 -18.559 -9.319) 21.729 22.210 ( 15.639 15.554 6.638) 23.034 23.597 ( -1.721 -1.826 2.186) 3.327 24.181 ( -0.991 2.100 0.330) 2.345 24.423 ( 5.402 0.238 -3.765) 6.589 ======================= Grid point 268 (120/204) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -20.673 21.373 -0.310) 29.736 2.627 ( -6.413 2.104 -14.315) 15.826 3.077 ( -2.578 23.125 13.255) 26.779 4.036 ( -7.276 10.069 -13.729) 18.515 4.177 ( -29.856 17.758 -0.481) 34.741 4.269 ( -7.103 2.316 1.166) 7.562 4.610 ( -0.277 -0.920 13.254) 13.289 5.313 ( -3.331 13.603 -6.277) 15.347 5.706 ( -9.538 1.498 3.027) 10.119 6.028 ( 1.469 -9.514 12.036) 15.412 6.390 ( 0.698 1.156 -2.280) 2.650 6.533 ( -7.377 -1.636 4.691) 8.894 6.798 ( -2.523 -10.864 -9.380) 14.574 7.247 ( 8.022 2.476 -7.816) 11.471 7.630 ( -4.594 4.939 8.273) 10.675 7.754 ( -5.973 0.298 -1.080) 6.077 8.226 ( -5.878 -2.067 3.413) 7.104 8.281 ( -11.569 0.372 0.422) 11.583 8.465 ( 9.571 -5.596 -3.148) 11.525 8.637 ( -3.881 -5.668 -0.019) 6.870 8.772 ( -1.376 -2.335 -4.903) 5.602 9.066 ( 6.853 -2.111 2.468) 7.583 9.311 ( 7.605 -5.713 -1.436) 9.619 9.550 ( 1.972 -0.519 -1.349) 2.445 9.960 ( -3.652 -1.051 -0.902) 3.906 10.137 ( 0.345 -9.715 0.529) 9.735 10.281 ( -3.609 -1.741 3.291) 5.185 10.578 ( -11.041 -0.675 -2.648) 11.374 10.670 ( 3.623 -1.405 0.899) 3.989 10.713 ( -1.233 0.413 3.524) 3.756 10.922 ( -4.589 3.338 -0.805) 5.731 11.054 ( -0.783 -5.614 -0.185) 5.671 11.279 ( 2.778 -2.040 -7.892) 8.612 11.437 ( -4.050 -0.772 -2.456) 4.799 11.631 ( 0.353 -3.866 -2.866) 4.825 11.827 ( 1.074 2.105 -0.953) 2.548 11.958 ( 3.011 1.135 -0.977) 3.363 12.020 ( -3.983 3.649 -0.706) 5.448 12.635 ( 1.623 2.469 5.168) 5.953 12.733 ( -2.590 -2.939 -6.422) 7.523 12.895 ( 4.418 2.522 0.090) 5.088 12.962 ( -1.903 -4.609 -1.614) 5.241 13.241 ( -4.944 -5.562 0.334) 7.449 13.520 ( 4.782 4.112 4.430) 7.707 13.883 ( 4.091 7.132 5.464) 9.872 14.197 ( -0.561 1.512 0.111) 1.616 14.214 ( -5.339 -1.370 5.416) 7.728 14.494 ( -3.742 -3.998 -4.114) 6.849 14.606 ( 5.360 1.067 3.286) 6.377 14.864 ( -0.156 -1.552 4.111) 4.397 14.993 ( 13.190 3.248 4.511) 14.314 15.364 ( -3.739 -3.395 -6.427) 8.174 15.470 ( 0.133 5.663 -3.018) 6.419 15.803 ( 0.581 5.299 -2.209) 5.771 16.205 ( -2.080 2.102 5.878) 6.581 16.495 ( 2.634 -7.618 -8.297) 11.567 17.105 ( 4.982 -8.136 -6.673) 11.642 17.273 ( 6.145 -1.464 -1.115) 6.415 18.291 ( -16.054 2.143 8.390) 18.241 18.806 ( -13.469 -3.699 12.365) 18.654 20.825 ( 3.473 -9.202 2.882) 10.249 21.421 ( -3.632 -17.527 -9.987) 20.498 22.391 ( 20.876 12.380 6.245) 25.061 23.597 ( -1.921 -2.053 2.130) 3.527 24.126 ( -1.706 4.594 0.103) 4.902 24.477 ( 5.766 2.799 -5.974) 8.762 ======================= Grid point 269 (121/204) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -19.518 22.205 8.691) 30.814 2.404 ( -11.925 13.840 1.455) 18.326 2.840 ( -9.255 7.026 -9.736) 15.160 3.438 ( -30.095 26.493 21.201) 45.355 3.699 ( -12.140 10.877 -22.089) 27.452 4.101 ( -0.932 13.694 -0.180) 13.726 4.760 ( -1.187 -0.889 1.992) 2.484 4.996 ( -4.646 12.538 -2.809) 13.663 5.633 ( -8.663 -2.392 10.572) 13.876 6.023 ( -8.196 -0.071 4.678) 9.437 6.358 ( -5.725 -1.434 -9.871) 11.501 6.597 ( 4.633 -7.112 12.056) 14.744 6.829 ( -0.418 -14.024 -10.729) 17.662 7.353 ( 8.373 1.879 -5.834) 10.377 7.509 ( -4.556 7.358 9.457) 12.819 7.675 ( -2.354 -1.617 -3.589) 4.587 8.009 ( -10.912 3.702 4.250) 12.281 8.254 ( -5.133 -4.683 1.199) 7.050 8.633 ( -0.112 -2.971 0.361) 2.995 8.721 ( 9.437 -3.357 -2.819) 10.405 8.825 ( 5.506 -8.599 2.550) 10.524 9.219 ( 9.494 0.144 3.339) 10.065 9.460 ( 6.430 -4.116 -5.401) 9.352 9.587 ( 0.760 -1.869 -2.380) 3.120 9.887 ( -7.355 -2.514 5.688) 9.631 10.178 ( -6.146 -7.748 0.851) 9.926 10.301 ( -5.170 -4.662 -12.533) 14.336 10.367 ( -2.781 4.687 5.087) 7.455 10.666 ( -4.162 1.924 3.159) 5.569 10.779 ( 3.777 -5.541 -0.250) 6.711 10.841 ( -1.055 0.124 -3.994) 4.133 11.069 ( -6.453 -7.146 0.451) 9.639 11.302 ( 1.027 -1.765 -5.753) 6.105 11.430 ( 3.505 -3.147 -5.605) 7.321 11.650 ( -1.254 -5.004 -2.263) 5.633 11.812 ( -3.642 -3.569 -1.710) 5.378 11.960 ( 2.562 1.034 1.466) 3.128 12.046 ( 7.598 4.915 -0.530) 9.065 12.536 ( -11.099 3.200 -2.305) 11.779 12.672 ( -4.503 -2.640 3.787) 6.449 12.893 ( -6.101 -1.970 5.132) 8.212 13.003 ( 11.941 8.129 -5.552) 15.475 13.255 ( -0.886 -2.541 3.883) 4.724 13.599 ( 6.741 1.648 1.728) 7.151 13.840 ( 2.184 11.739 4.716) 12.838 14.183 ( -2.832 0.809 8.210) 8.722 14.219 ( -3.954 -5.365 -0.101) 6.666 14.428 ( -4.064 -3.009 -12.846) 13.805 14.678 ( 2.499 0.319 0.879) 2.669 14.907 ( 4.360 1.883 2.213) 5.240 15.161 ( -2.138 0.390 -1.386) 2.578 15.274 ( 2.206 0.480 -3.240) 3.949 15.368 ( -0.410 9.875 -4.442) 10.836 15.718 ( -1.345 5.210 -1.025) 5.477 16.264 ( 3.752 -3.335 15.671) 16.455 16.591 ( 4.617 -6.942 -4.265) 9.365 17.135 ( 2.490 1.728 -10.839) 11.255 17.485 ( 7.053 -11.372 4.106) 13.997 18.110 ( -9.626 -0.416 8.803) 13.050 18.647 ( -15.720 -3.358 9.324) 18.583 20.995 ( -1.792 -17.505 9.934) 20.207 21.487 ( -3.606 -14.704 -7.170) 16.752 22.671 ( 22.774 7.643 4.813) 24.499 23.588 ( -2.870 -2.065 1.856) 3.993 24.044 ( -1.446 6.372 -0.232) 6.538 24.495 ( 4.882 5.212 -10.008) 12.295 ======================= Grid point 270 (122/204) ======================= q-point: (-0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -11.945 11.601 23.981) 29.195 1.906 ( -27.259 23.151 17.345) 39.747 2.601 ( -8.018 -0.137 -20.264) 21.793 2.951 ( -10.326 29.697 28.398) 42.367 3.378 ( -4.428 6.160 -20.759) 22.102 3.989 ( 5.477 13.474 -6.134) 15.785 4.533 ( -6.840 12.703 -1.472) 14.503 4.960 ( -0.176 4.471 -5.455) 7.055 5.525 ( -12.020 -1.223 14.964) 19.233 5.974 ( 1.620 -0.777 2.658) 3.208 6.227 ( -4.872 -2.080 -13.749) 14.734 6.656 ( -7.401 -10.791 -6.053) 14.417 7.062 ( 8.982 -5.812 9.906) 14.580 7.319 ( -4.705 -2.147 5.732) 7.720 7.586 ( 12.871 2.671 -3.509) 13.605 7.659 ( -1.007 -6.738 -5.060) 8.486 7.884 ( -3.368 1.917 8.084) 8.965 8.187 ( -7.951 -2.163 2.786) 8.698 8.697 ( 3.764 -3.834 1.004) 5.465 8.843 ( 7.431 -0.234 3.409) 8.179 9.049 ( 6.221 -6.605 6.225) 11.004 9.332 ( 0.300 -1.150 -5.550) 5.676 9.580 ( 1.071 -0.707 -5.206) 5.362 9.590 ( 8.447 -1.472 -0.742) 8.606 9.854 ( -4.072 -3.580 10.482) 11.801 10.074 ( -8.763 3.965 -7.761) 12.359 10.152 ( -5.850 -5.082 1.963) 7.994 10.463 ( 7.032 -3.227 -4.435) 8.918 10.584 ( -5.041 2.392 3.598) 6.639 10.757 ( 0.211 2.742 -9.356) 9.752 10.953 ( -0.488 -10.127 -5.311) 11.446 11.006 ( -2.186 -3.552 -1.266) 4.359 11.323 ( 1.613 -4.078 -4.246) 6.104 11.511 ( -1.929 -10.686 -3.917) 11.543 11.704 ( 5.225 -2.115 -0.706) 5.681 11.787 ( -3.276 -0.763 4.614) 5.710 12.014 ( 3.730 -0.191 -3.258) 4.956 12.071 ( -2.877 2.074 2.376) 4.269 12.342 ( -1.497 5.952 0.043) 6.138 12.655 ( -6.467 -2.808 7.831) 10.537 12.823 ( -2.423 -0.995 -2.269) 3.466 13.125 ( 15.687 9.015 -3.784) 18.485 13.273 ( -1.970 -0.078 9.180) 9.389 13.647 ( -5.594 -0.186 -5.087) 7.564 13.815 ( 6.628 8.631 3.012) 11.291 13.963 ( -16.525 5.274 -7.295) 18.818 14.226 ( -1.045 -3.387 5.375) 6.439 14.361 ( 0.828 7.417 -0.973) 7.526 14.717 ( 3.853 -1.805 -2.866) 5.130 14.955 ( -8.641 2.411 -4.579) 10.072 14.984 ( 5.122 2.243 0.580) 5.622 15.230 ( -4.527 6.032 -3.677) 8.390 15.406 ( 8.254 3.291 2.742) 9.299 15.657 ( -2.264 2.075 0.274) 3.083 16.453 ( 3.055 -5.031 11.569) 12.980 16.793 ( 8.452 -9.145 2.561) 12.713 17.161 ( 11.875 -1.567 -1.712) 12.100 17.697 ( 4.141 -9.394 2.686) 10.612 18.058 ( -1.107 -0.383 6.181) 6.291 18.460 ( -15.778 -4.237 5.709) 17.306 21.197 ( -6.913 -26.824 15.874) 31.926 21.544 ( -2.763 -11.957 -2.978) 12.628 22.985 ( 19.831 3.159 4.488) 20.576 23.554 ( -5.085 -2.139 1.130) 5.631 23.960 ( -0.288 7.237 -0.441) 7.256 24.406 ( -1.762 10.396 -16.084) 19.232 ======================= Grid point 271 (123/204) ======================= q-point: (-0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -3.387 -3.916 34.081) 34.472 1.556 ( 0.877 13.229 34.353) 36.823 2.397 ( -1.192 8.444 -17.816) 19.751 2.746 ( 3.518 21.131 22.239) 30.878 3.232 ( -1.445 1.327 -16.911) 17.024 3.999 ( 14.670 8.736 -11.237) 20.440 4.373 ( -1.087 7.908 1.452) 8.114 4.771 ( -6.460 10.568 -17.972) 21.826 5.467 ( -3.373 -0.646 16.935) 17.280 6.066 ( 4.179 -3.541 -3.649) 6.582 6.196 ( 4.726 -3.274 -4.119) 7.072 6.565 ( -10.446 -6.035 -11.900) 16.946 7.112 ( -0.593 6.136 12.295) 13.754 7.436 ( 3.907 -5.206 5.709) 8.658 7.605 ( -0.205 -1.375 -5.171) 5.355 7.813 ( 0.377 -6.943 0.368) 6.963 8.014 ( 2.252 -8.432 3.043) 9.243 8.125 ( 7.686 -5.139 4.276) 10.186 8.824 ( 4.514 -6.163 1.507) 7.787 9.015 ( 9.693 0.426 10.256) 14.118 9.175 ( -3.363 -7.080 -1.949) 8.077 9.255 ( -1.663 -0.560 -2.000) 2.661 9.579 ( -1.370 -2.974 -8.808) 9.397 9.647 ( -1.934 -0.216 -4.015) 4.462 9.858 ( -4.563 3.479 0.388) 5.751 9.997 ( 8.018 8.047 8.305) 14.071 10.113 ( -4.969 -6.510 0.480) 8.204 10.461 ( -5.298 4.417 -5.296) 8.696 10.608 ( 5.918 -5.721 -1.270) 8.329 10.709 ( 3.297 3.570 -10.389) 11.470 10.875 ( -5.587 -1.908 -3.307) 6.767 11.121 ( 5.857 -5.293 -9.602) 12.430 11.415 ( 3.486 -6.738 0.724) 7.621 11.527 ( -6.924 -11.142 -2.992) 13.455 11.722 ( -7.540 -1.360 6.510) 10.054 11.837 ( 5.333 0.257 3.005) 6.127 11.948 ( -1.571 2.722 1.415) 3.447 12.087 ( 3.519 1.176 -2.564) 4.510 12.370 ( -7.923 -0.679 4.681) 9.228 12.508 ( 3.670 5.176 -3.238) 7.123 12.913 ( 5.279 -3.580 7.791) 10.069 13.160 ( -12.965 -2.055 -1.429) 13.204 13.272 ( -3.846 3.885 -2.045) 5.836 13.379 ( 8.858 12.780 -4.610) 16.219 13.807 ( -2.175 3.365 3.299) 5.190 13.874 ( 6.352 6.168 1.057) 8.917 14.238 ( -3.373 3.313 4.819) 6.750 14.322 ( 5.002 4.596 2.587) 7.269 14.765 ( -8.271 -4.806 -1.450) 9.675 14.855 ( 6.011 -0.291 -4.917) 7.771 15.046 ( 5.273 7.200 -1.942) 9.133 15.091 ( -3.104 0.523 -2.572) 4.065 15.476 ( 2.624 2.452 4.448) 5.717 15.600 ( -3.143 0.373 -1.384) 3.454 16.528 ( -1.126 -1.495 7.193) 7.433 16.848 ( -3.017 -3.027 -8.494) 9.508 17.629 ( 19.177 -10.313 5.370) 22.426 17.803 ( -3.628 -8.845 -2.072) 9.782 18.251 ( 22.305 -6.053 2.045) 23.202 18.286 ( -3.477 -0.859 1.085) 3.743 21.424 ( -13.803 -37.801 17.586) 43.916 21.624 ( 1.503 -7.738 1.372) 8.001 23.247 ( 6.692 -1.534 7.181) 9.935 23.452 ( -8.078 0.966 -2.071) 8.395 23.894 ( 1.187 7.044 -0.570) 7.166 24.064 ( -10.554 21.858 -13.207) 27.633 ======================= Grid point 274 (124/204) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 9.149 0.000 -3.965) 9.971 3.165 ( 17.097 0.000 -19.525) 25.953 3.207 ( 22.632 0.000 10.145) 24.802 3.287 ( 17.338 0.000 -3.058) 17.606 3.408 ( 14.952 0.000 5.843) 16.053 4.144 ( 18.585 0.000 0.979) 18.610 4.651 ( 5.781 0.000 0.261) 5.787 5.297 ( 11.646 0.000 4.491) 12.482 5.701 ( -0.637 -0.000 4.936) 4.977 6.376 ( -5.107 -0.000 -1.604) 5.353 6.564 ( 7.998 0.000 -1.715) 8.180 6.673 ( -0.994 -0.000 1.419) 1.732 7.180 ( -9.498 -0.000 -4.637) 10.569 7.482 ( -2.533 -0.000 -9.475) 9.808 7.601 ( -2.589 -0.000 -6.428) 6.930 7.722 ( 8.896 0.000 -1.494) 9.020 8.049 ( 6.625 0.000 1.746) 6.852 8.288 ( 1.101 0.000 7.530) 7.610 8.625 ( -6.343 -0.000 -7.778) 10.037 8.719 ( -1.533 -0.000 -9.791) 9.910 9.056 ( -2.943 -0.000 -5.632) 6.355 9.240 ( -8.169 -0.000 -2.313) 8.490 9.396 ( -5.141 -0.000 -2.676) 5.796 9.611 ( 5.428 0.000 15.043) 15.992 9.919 ( 1.865 0.000 0.850) 2.050 10.235 ( 9.226 0.000 5.164) 10.573 10.316 ( 1.420 0.000 11.685) 11.771 10.482 ( 5.470 0.000 -1.550) 5.685 10.644 ( -2.006 -0.000 -1.895) 2.760 10.927 ( 3.001 0.000 -1.179) 3.224 11.030 ( 10.190 0.000 3.213) 10.684 11.167 ( -11.867 -0.000 2.103) 12.052 11.260 ( -7.254 -0.000 -5.288) 8.977 11.403 ( 1.996 0.000 -2.449) 3.160 11.578 ( -9.100 -0.000 -0.587) 9.119 11.745 ( 9.678 0.000 0.205) 9.680 11.912 ( -6.374 -0.000 -0.506) 6.394 12.168 ( -6.199 -0.000 11.952) 13.464 12.259 ( 9.011 0.000 -1.909) 9.211 12.650 ( 1.205 0.000 -10.205) 10.276 12.903 ( 4.319 0.000 2.424) 4.953 13.097 ( -3.590 -0.000 -2.018) 4.118 13.384 ( -12.105 -0.000 -7.934) 14.474 13.557 ( 3.847 0.000 2.784) 4.748 13.726 ( -5.711 -0.000 9.393) 10.993 14.039 ( 8.613 0.000 -2.245) 8.901 14.237 ( -8.458 -0.000 -4.242) 9.462 14.577 ( 0.733 0.000 -2.190) 2.309 14.628 ( 6.569 0.000 -6.897) 9.525 14.861 ( 17.157 0.000 15.790) 23.317 15.036 ( -4.768 -0.000 -3.386) 5.848 15.096 ( -4.639 -0.000 8.142) 9.371 15.336 ( 1.771 0.000 2.376) 2.964 15.621 ( -2.560 -0.000 3.043) 3.977 16.322 ( -13.795 -0.000 -0.755) 13.816 16.499 ( -3.589 -0.000 -0.256) 3.598 16.841 ( -7.834 -0.000 -15.701) 17.547 18.012 ( 7.759 0.000 -1.092) 7.836 18.054 ( 1.573 0.000 -6.727) 6.909 19.833 ( -17.170 -0.000 19.473) 25.962 21.102 ( -5.034 -0.000 -30.248) 30.664 21.200 ( -14.815 -0.000 1.946) 14.943 22.225 ( 5.101 0.000 15.299) 16.126 23.673 ( -3.761 -0.000 1.159) 3.935 24.005 ( 4.597 0.000 -2.072) 5.042 24.015 ( 6.771 0.000 4.349) 8.047 ======================= Grid point 275 (125/204) ======================= q-point: ( 0.27 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 2.489 4.497 -21.829) 22.425 3.138 ( 4.401 4.905 -11.186) 12.983 3.499 ( 22.703 16.946 -5.041) 28.775 3.562 ( 18.548 5.264 14.310) 24.011 3.952 ( 22.086 -22.024 11.602) 33.278 4.546 ( 18.917 -10.984 4.267) 22.287 4.811 ( 10.047 -0.328 11.245) 15.083 5.366 ( -1.402 2.389 1.640) 3.219 5.660 ( -8.946 -1.259 5.546) 10.601 6.239 ( -10.596 1.412 -1.683) 10.821 6.503 ( -5.682 8.657 -13.897) 17.331 6.681 ( 0.144 -6.936 -7.334) 10.095 7.027 ( -0.281 3.518 -4.233) 5.511 7.384 ( -6.557 -0.001 -6.740) 9.403 7.613 ( 3.510 -1.971 3.902) 5.606 7.907 ( 10.794 -3.813 -4.350) 12.246 8.084 ( -2.771 3.400 2.238) 4.924 8.362 ( -0.290 -2.947 10.142) 10.565 8.555 ( 0.250 -1.573 -2.290) 2.790 8.655 ( -0.379 0.648 -8.081) 8.115 8.940 ( -8.872 1.721 -5.171) 10.413 9.083 ( -7.509 2.111 -4.074) 8.800 9.327 ( -0.542 1.382 -3.316) 3.633 9.697 ( -0.084 2.293 10.383) 10.634 9.926 ( 0.401 3.948 2.347) 4.611 10.389 ( 3.147 -3.067 2.793) 5.207 10.421 ( 4.322 0.179 12.953) 13.656 10.479 ( -3.396 3.846 -3.714) 6.334 10.597 ( 2.789 0.423 -2.846) 4.007 10.919 ( -15.386 1.165 0.743) 15.448 11.014 ( 5.226 3.808 -0.949) 6.536 11.113 ( -2.361 -3.872 -8.699) 9.810 11.233 ( 5.263 -1.986 6.384) 8.509 11.409 ( 0.791 0.634 -4.060) 4.185 11.487 ( -1.376 0.865 0.319) 1.657 11.836 ( -4.097 -2.521 2.466) 5.406 11.944 ( 14.852 1.609 2.290) 15.114 12.150 ( -3.594 -0.425 13.453) 13.932 12.372 ( 5.848 0.174 -0.836) 5.910 12.615 ( 0.157 -0.263 -12.304) 12.308 12.916 ( -2.355 3.656 6.405) 7.742 13.019 ( -5.043 0.691 -5.775) 7.698 13.173 ( -12.080 -6.314 -7.255) 15.441 13.651 ( 2.897 2.618 7.606) 8.550 13.705 ( 1.700 -0.361 6.589) 6.814 14.117 ( -4.687 -4.258 -1.848) 6.596 14.154 ( 1.968 -3.551 -2.552) 4.795 14.588 ( 1.712 0.163 -2.841) 3.321 14.656 ( -3.749 -0.386 -12.706) 13.253 14.839 ( 4.134 0.069 -8.840) 9.759 15.041 ( -6.927 0.826 11.616) 13.550 15.320 ( 16.280 2.673 18.882) 25.074 15.395 ( 3.162 -1.554 4.379) 5.620 15.563 ( -4.561 0.577 2.480) 5.223 16.090 ( -11.908 -0.842 -5.490) 13.140 16.460 ( -0.793 1.156 1.188) 1.838 16.682 ( -7.586 -4.121 -11.723) 14.559 17.930 ( 2.117 13.954 -9.818) 17.193 18.277 ( 11.165 -11.528 -0.731) 16.065 19.521 ( -32.670 -0.051 28.978) 43.670 20.812 ( 2.878 17.829 -18.140) 25.597 21.148 ( -8.830 -16.158 -15.124) 23.829 22.341 ( 5.792 6.788 15.148) 17.581 23.617 ( -2.930 -0.010 -0.544) 2.980 24.079 ( 4.364 -1.982 -1.720) 5.092 24.151 ( 6.000 -2.868 2.128) 6.982 ======================= Grid point 276 (126/204) ======================= q-point: ( 0.36 0.18 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( -10.460 -10.113 -28.939) 32.390 3.134 ( 6.347 14.280 1.603) 15.709 3.653 ( 21.734 22.607 3.462) 31.551 3.815 ( 16.330 10.498 10.839) 22.234 4.547 ( 20.365 -16.325 13.370) 29.325 4.845 ( 1.374 -1.227 -1.642) 2.468 4.939 ( 1.628 3.546 5.903) 7.076 5.364 ( -0.571 -5.841 6.561) 8.803 5.524 ( -7.172 -3.061 4.239) 8.876 6.009 ( -9.908 3.666 -4.425) 11.454 6.280 ( -7.103 2.071 -12.581) 14.595 6.709 ( -0.840 -6.198 -8.683) 10.701 7.061 ( 5.584 -0.980 -3.725) 6.784 7.198 ( -9.685 5.164 -6.220) 12.616 7.706 ( 1.671 0.798 10.218) 10.385 7.951 ( -7.114 3.108 1.225) 7.859 8.073 ( 5.032 -4.661 -7.073) 9.853 8.419 ( -1.611 -3.852 11.960) 12.668 8.559 ( -0.923 0.783 -2.252) 2.557 8.635 ( -3.878 -4.088 -5.838) 8.114 8.755 ( -5.868 -0.863 -5.106) 7.826 8.922 ( -9.439 0.149 -3.342) 10.014 9.298 ( -0.037 4.396 0.082) 4.397 9.685 ( -2.039 0.134 2.750) 3.426 9.875 ( 0.206 8.969 4.127) 9.875 10.265 ( -8.840 2.604 -0.459) 9.227 10.474 ( -3.043 -0.149 -1.618) 3.450 10.536 ( 0.911 0.973 9.248) 9.344 10.642 ( 0.774 -0.763 -2.986) 3.178 10.674 ( -2.561 1.542 -2.347) 3.800 11.082 ( 5.533 2.608 -0.296) 6.124 11.087 ( -5.433 -7.214 -6.634) 11.206 11.256 ( 0.105 5.360 0.063) 5.361 11.452 ( 2.113 -2.817 -3.541) 4.994 11.506 ( 2.580 -0.946 2.661) 3.825 11.855 ( 1.289 -2.660 4.214) 5.148 12.092 ( 1.923 6.906 8.795) 11.347 12.243 ( 10.096 -0.913 7.605) 12.673 12.437 ( 2.813 0.629 1.440) 3.222 12.555 ( -2.014 -0.448 -8.933) 9.168 12.830 ( -0.627 2.053 -7.578) 7.877 12.903 ( -8.047 -3.030 -2.950) 9.091 13.100 ( -5.820 -8.815 1.848) 10.723 13.658 ( 0.341 4.313 7.208) 8.407 13.771 ( 3.094 3.158 1.040) 4.542 14.101 ( -5.259 -8.051 1.845) 9.792 14.223 ( 1.201 -6.634 -0.297) 6.748 14.528 ( -2.736 -1.520 -10.960) 11.398 14.603 ( 2.172 1.703 -2.349) 3.624 14.908 ( 0.714 0.486 -3.229) 3.343 14.967 ( -1.155 4.234 7.288) 8.507 15.405 ( -4.603 3.456 5.427) 7.911 15.477 ( 5.219 -0.660 -0.883) 5.334 15.650 ( 8.772 0.010 9.962) 13.274 15.984 ( -2.593 -6.960 -0.555) 7.448 16.436 ( -1.715 1.907 -0.469) 2.607 16.610 ( -2.885 -7.858 -6.299) 10.476 17.748 ( -1.407 13.357 -14.584) 19.826 18.565 ( 11.685 -6.773 1.566) 13.597 19.084 ( -34.430 -0.485 24.791) 42.430 20.686 ( 0.941 6.726 -4.632) 8.220 21.105 ( -1.879 -9.054 -20.801) 22.763 22.413 ( 7.393 11.205 13.636) 19.135 23.581 ( -1.699 -0.750 -0.567) 1.942 24.156 ( 2.968 -2.181 -0.967) 3.808 24.278 ( 5.597 -3.143 -0.345) 6.428 ======================= Grid point 277 (127/204) ======================= q-point: (-0.55 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( -12.069 -9.345 -25.206) 29.468 3.036 ( 0.022 18.373 0.640) 18.385 3.739 ( 9.267 22.124 13.784) 27.665 4.006 ( 19.108 12.826 8.745) 24.619 4.563 ( -20.097 6.050 -3.472) 21.273 4.815 ( -9.462 6.415 -5.860) 12.846 4.984 ( 7.316 0.411 13.540) 15.396 5.494 ( 1.533 2.786 0.940) 3.316 5.535 ( 7.745 -6.546 7.530) 12.631 5.923 ( -5.917 -6.708 -2.523) 9.294 6.138 ( -5.811 -8.046 -6.161) 11.682 6.686 ( -6.663 -5.265 -7.719) 11.476 6.933 ( -6.413 13.639 4.226) 15.653 7.175 ( 6.427 -4.266 -12.502) 14.690 7.717 ( 0.041 6.526 13.879) 15.337 7.826 ( -9.140 -2.896 -0.266) 9.591 8.088 ( -1.979 -3.779 -9.499) 10.413 8.441 ( -2.427 4.443 2.508) 5.650 8.526 ( -7.125 -7.065 -0.798) 10.065 8.590 ( -4.961 -8.553 2.593) 10.223 8.728 ( -4.460 -0.396 -4.693) 6.486 8.782 ( -2.081 -5.854 -0.299) 6.220 9.236 ( -0.805 5.743 3.472) 6.760 9.653 ( -0.278 2.737 -4.114) 4.949 9.851 ( 3.370 2.534 3.871) 5.724 10.131 ( -4.669 3.172 -2.146) 6.039 10.304 ( -11.721 -1.809 1.591) 11.966 10.571 ( -1.175 -0.734 4.873) 5.066 10.635 ( -1.754 -2.266 -0.039) 2.865 10.729 ( 5.919 0.865 -3.978) 7.184 11.015 ( -7.204 -4.150 -4.076) 9.259 11.122 ( 0.646 1.479 0.011) 1.613 11.204 ( 2.933 5.021 -5.096) 7.732 11.469 ( -3.052 -3.023 -1.098) 4.434 11.546 ( 0.979 -1.146 -1.028) 1.824 11.927 ( 2.135 -0.548 4.001) 4.568 12.048 ( -1.211 9.222 4.831) 10.481 12.226 ( -8.156 2.331 -3.316) 9.108 12.560 ( 4.136 -3.150 6.261) 8.138 12.595 ( 9.102 -0.629 0.774) 9.156 12.816 ( -3.900 -4.861 -3.096) 6.959 12.853 ( 6.277 -1.410 -10.138) 12.007 13.114 ( -4.960 -8.018 1.730) 9.585 13.628 ( -1.617 4.882 5.333) 7.409 13.805 ( 5.722 1.446 2.448) 6.389 14.102 ( -4.559 -6.131 3.134) 8.258 14.308 ( -1.297 -7.226 1.438) 7.481 14.491 ( 0.234 0.971 -6.800) 6.873 14.605 ( 1.031 2.644 1.000) 3.009 14.832 ( -6.596 -1.074 8.501) 10.814 14.980 ( 6.693 6.518 -3.570) 10.002 15.343 ( -2.900 -1.155 -1.002) 3.279 15.540 ( 4.563 1.374 -2.993) 5.628 15.796 ( 7.268 1.245 3.970) 8.375 16.118 ( 4.258 -10.430 4.028) 11.964 16.372 ( -3.187 0.275 -2.698) 4.185 16.683 ( 3.017 -8.072 -0.378) 8.626 17.522 ( -3.534 10.385 -15.026) 18.604 18.629 ( -23.748 1.344 11.684) 26.501 18.789 ( -1.052 -3.992 9.505) 10.363 20.644 ( -4.359 -2.515 6.680) 8.363 21.117 ( 5.884 -5.878 -23.867) 25.275 22.488 ( 10.294 12.108 12.312) 20.104 23.569 ( -0.869 -0.975 0.045) 1.307 24.200 ( 1.302 -0.027 -0.161) 1.312 24.389 ( 5.326 -2.882 -2.716) 6.637 ======================= Grid point 278 (128/204) ======================= q-point: (-0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( -8.259 -2.351 -21.946) 23.566 2.765 ( -7.006 23.055 -1.156) 24.124 3.599 ( -3.559 26.874 14.671) 30.824 4.121 ( -19.674 -2.954 -2.071) 20.002 4.300 ( 16.381 10.250 3.097) 19.570 4.497 ( -15.691 14.644 -2.655) 21.627 4.862 ( -7.858 17.106 7.048) 20.101 5.517 ( 3.912 5.412 4.473) 8.038 5.727 ( -14.481 1.123 -5.980) 15.707 5.828 ( 6.290 -9.787 8.286) 14.283 6.230 ( 0.356 -14.152 -2.857) 14.442 6.544 ( -9.179 -0.452 3.606) 9.872 6.759 ( -6.239 6.669 -1.383) 9.236 7.271 ( 10.861 0.284 -12.710) 16.721 7.682 ( -7.604 0.112 2.731) 8.081 7.759 ( -0.388 1.685 5.891) 6.139 8.089 ( 0.616 -8.459 -8.294) 11.863 8.321 ( -14.703 1.588 5.506) 15.780 8.414 ( -6.657 -3.684 -5.531) 9.407 8.530 ( -2.390 -2.538 6.539) 7.410 8.722 ( -0.765 -3.219 -1.119) 3.493 8.953 ( 8.883 -9.632 1.359) 13.173 9.237 ( 3.309 -0.083 2.038) 3.887 9.610 ( 2.394 4.879 -4.103) 6.809 9.923 ( 1.475 -3.598 -2.595) 4.675 10.014 ( -6.179 -0.081 1.408) 6.338 10.207 ( -6.171 -5.568 -0.136) 8.313 10.532 ( -7.615 -1.672 4.664) 9.085 10.632 ( -1.419 -2.595 0.355) 2.978 10.779 ( 4.129 3.982 -1.561) 5.945 10.924 ( -7.018 -4.289 -3.288) 8.858 11.050 ( -3.581 4.752 1.635) 6.171 11.241 ( 5.125 -0.554 -7.073) 8.752 11.416 ( -3.955 -1.471 -2.811) 5.070 11.565 ( 0.095 -2.516 -3.863) 4.612 11.866 ( -10.651 2.046 -3.166) 11.299 11.961 ( -0.353 0.371 4.289) 4.320 12.153 ( 5.262 7.740 -0.693) 9.385 12.622 ( -3.485 -6.074 -0.418) 7.015 12.663 ( -3.274 -1.805 -0.491) 3.770 12.831 ( -1.746 -4.960 0.089) 5.260 12.987 ( 13.837 3.474 -3.125) 14.604 13.126 ( -1.191 -5.779 1.197) 6.020 13.600 ( 2.096 3.935 2.110) 4.932 13.918 ( 2.615 -3.105 6.015) 7.256 14.117 ( -0.240 -2.880 4.308) 5.188 14.271 ( -6.482 1.698 1.758) 6.928 14.457 ( -2.410 -1.728 -2.696) 4.008 14.611 ( 1.713 0.763 1.840) 2.627 14.831 ( 0.285 -2.195 4.818) 5.302 15.062 ( 10.534 3.602 1.568) 11.243 15.301 ( -3.370 -2.525 -5.318) 6.784 15.579 ( 5.242 4.585 -3.280) 7.698 15.880 ( 3.208 2.588 1.751) 4.479 16.256 ( 1.054 -1.047 1.739) 2.287 16.332 ( -0.291 -4.881 -5.012) 7.002 16.857 ( 5.762 -12.072 1.443) 13.454 17.348 ( -1.287 4.876 -9.895) 11.106 18.283 ( -22.960 -1.799 11.565) 25.771 18.800 ( -4.543 2.089 5.638) 7.536 20.650 ( -6.537 -8.205 13.037) 16.734 21.199 ( 8.598 -5.691 -23.049) 25.250 22.618 ( 13.576 10.096 11.386) 20.393 23.569 ( -0.537 -0.781 0.431) 1.041 24.197 ( 0.116 2.668 0.258) 2.683 24.479 ( 4.813 -1.916 -4.967) 7.177 ======================= Grid point 279 (129/204) ======================= q-point: (-0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -9.585 27.134 -2.324) 28.871 2.500 ( -2.021 2.823 -17.699) 18.036 3.192 ( -20.978 24.962 3.652) 32.810 3.775 ( -16.896 4.370 -11.897) 21.121 4.051 ( -12.614 26.142 13.459) 31.994 4.412 ( 3.414 13.841 6.206) 15.548 4.745 ( 5.543 5.464 7.790) 11.012 5.337 ( -7.096 17.441 -4.546) 19.371 5.581 ( -7.716 -3.378 5.622) 10.127 5.943 ( -5.734 -7.114 7.249) 11.663 6.292 ( -4.993 -6.742 -7.348) 11.153 6.512 ( -3.055 -3.849 1.146) 5.046 6.625 ( 0.453 -1.475 -0.415) 1.598 7.410 ( 11.657 3.139 -8.801) 14.939 7.576 ( -7.529 -1.555 -1.443) 7.823 7.685 ( -3.527 4.119 1.327) 5.583 8.068 ( -12.994 2.311 6.645) 14.777 8.154 ( -1.093 -6.556 -6.266) 9.134 8.497 ( 2.287 -11.351 0.421) 11.587 8.603 ( 6.583 -4.128 9.785) 12.495 8.739 ( 0.760 -2.427 -1.600) 3.005 9.192 ( 10.045 -3.796 3.515) 11.299 9.345 ( 5.786 -6.544 -1.175) 8.814 9.602 ( 3.634 3.385 -5.184) 7.179 9.857 ( -7.372 -0.276 -0.220) 7.380 10.005 ( -5.961 -8.971 2.389) 11.033 10.185 ( -2.849 -6.180 -9.165) 11.416 10.425 ( -7.423 0.765 7.469) 10.559 10.641 ( -2.855 -4.624 2.671) 6.055 10.768 ( 1.948 5.340 -1.405) 5.856 10.850 ( -4.401 -1.578 -2.284) 5.204 10.979 ( -2.647 -0.198 -0.635) 2.730 11.269 ( -0.170 -1.768 -5.617) 5.891 11.370 ( -2.298 -2.891 -7.335) 8.212 11.573 ( 1.493 -2.615 -4.108) 5.093 11.745 ( -2.926 -3.122 -2.202) 4.812 11.970 ( -0.009 0.290 3.049) 3.063 12.176 ( 5.822 7.213 -0.091) 9.269 12.515 ( -13.753 -4.976 0.385) 14.630 12.640 ( -1.417 -0.606 1.589) 2.214 12.823 ( -3.407 -3.889 -4.402) 6.790 13.152 ( 12.805 6.287 1.006) 14.300 13.192 ( 0.503 -3.818 3.478) 5.190 13.628 ( 4.926 1.370 -3.820) 6.382 13.974 ( -3.298 -6.378 5.854) 9.264 14.093 ( -5.818 4.089 3.567) 7.956 14.222 ( -0.907 2.048 10.318) 10.558 14.431 ( 2.666 -0.252 -8.956) 9.348 14.639 ( -0.913 -2.642 0.609) 2.861 14.897 ( 2.086 -2.600 3.921) 5.147 15.187 ( 1.148 2.096 -2.908) 3.764 15.280 ( 6.851 0.280 -0.161) 6.859 15.573 ( 3.751 9.127 -4.050) 10.667 15.840 ( -2.554 6.160 -1.495) 6.834 16.248 ( 0.574 1.897 11.140) 11.315 16.416 ( 3.112 -9.649 -7.714) 12.740 17.064 ( 3.486 -10.904 -4.703) 12.376 17.319 ( 2.636 -2.949 -2.024) 4.443 18.055 ( -14.048 -3.715 11.527) 18.548 18.662 ( -10.586 3.736 3.974) 11.909 20.699 ( -7.797 -11.642 17.621) 22.513 21.297 ( 7.329 -5.756 -19.791) 21.875 22.814 ( 14.946 6.309 10.373) 19.256 23.565 ( -0.966 -0.317 0.324) 1.067 24.159 ( -0.199 5.048 0.589) 5.086 24.534 ( 3.484 -0.547 -7.892) 8.644 ======================= Grid point 280 (130/204) ======================= q-point: (-0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -6.898 32.583 6.082) 33.856 2.370 ( -8.152 16.133 -2.861) 18.301 2.577 ( -17.461 8.017 -16.896) 25.586 3.396 ( -10.639 13.282 -18.051) 24.808 3.755 ( -0.971 29.372 25.033) 38.604 4.323 ( 4.892 18.913 5.273) 20.234 4.738 ( -5.774 6.196 1.128) 8.545 5.132 ( 3.144 14.046 -0.155) 14.394 5.499 ( -9.317 -1.390 12.820) 15.909 5.919 ( -4.404 -5.253 1.469) 7.011 6.187 ( -5.494 -1.932 -12.592) 13.874 6.456 ( -6.551 -9.506 -11.430) 16.246 6.838 ( 10.704 -10.262 11.795) 18.947 7.378 ( -5.954 4.946 3.413) 8.459 7.501 ( -3.905 -5.129 -5.513) 8.482 7.706 ( 10.374 4.885 -8.313) 14.163 7.918 ( -7.329 1.336 6.540) 9.913 8.143 ( -2.643 -2.785 -4.084) 5.606 8.597 ( 0.365 -6.409 7.108) 9.578 8.793 ( 2.428 -4.971 0.506) 5.555 8.896 ( 11.202 -8.161 9.641) 16.883 9.320 ( 2.368 -0.536 -3.148) 3.976 9.524 ( 2.376 -4.989 0.036) 5.526 9.610 ( 7.851 2.496 -8.921) 12.143 9.761 ( -6.097 -4.593 6.552) 10.060 9.982 ( -7.719 -8.257 -0.036) 11.303 10.132 ( -1.807 -1.133 -7.534) 7.830 10.407 ( -0.256 -2.376 6.533) 6.957 10.626 ( -4.664 0.419 6.233) 7.796 10.761 ( -0.859 -5.789 -7.730) 9.695 10.800 ( -0.408 0.540 -5.720) 5.759 10.953 ( 0.100 -1.110 -1.506) 1.874 11.254 ( -0.848 -3.529 -6.134) 7.127 11.342 ( -2.464 -6.112 -6.762) 9.442 11.669 ( 9.038 -1.729 -3.183) 9.737 11.754 ( -2.371 -2.603 3.310) 4.833 11.984 ( 1.093 -1.991 -1.644) 2.804 12.139 ( -5.339 3.231 1.253) 6.365 12.395 ( -3.468 0.516 4.416) 5.639 12.637 ( -0.578 0.552 3.225) 3.323 12.776 ( -3.171 -3.387 -5.140) 6.924 13.190 ( -2.802 -1.935 -1.659) 3.788 13.309 ( 8.817 4.011 6.743) 11.802 13.638 ( -3.609 -0.637 -9.168) 9.874 13.982 ( -0.413 6.151 5.356) 8.167 14.022 ( 0.127 -1.450 3.428) 3.725 14.183 ( -1.784 2.385 5.808) 6.527 14.461 ( 1.321 1.090 -2.838) 3.315 14.653 ( 1.156 -3.003 -2.224) 3.912 14.932 ( -4.424 -2.703 -1.016) 5.283 15.113 ( 2.607 7.941 -1.428) 8.479 15.381 ( 2.264 5.406 -2.145) 6.241 15.511 ( 5.683 9.183 -2.327) 11.047 15.717 ( -5.001 4.108 0.105) 6.473 16.370 ( 4.824 -2.971 14.724) 15.776 16.570 ( 5.847 -12.222 0.315) 13.553 17.118 ( 2.256 -3.583 -8.930) 9.882 17.454 ( 0.733 -14.325 0.494) 14.352 18.010 ( -1.668 -2.844 10.793) 11.285 18.455 ( -11.297 3.020 1.752) 11.824 20.767 ( -10.782 -15.188 22.328) 29.077 21.386 ( 5.958 -5.733 -15.359) 17.443 23.039 ( 12.477 2.106 9.710) 15.950 23.540 ( -2.312 0.428 -0.455) 2.395 24.103 ( 0.338 6.840 1.218) 6.956 24.519 ( -0.118 2.108 -11.979) 12.163 ======================= Grid point 281 (131/204) ======================= q-point: (-0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -7.633 22.481 13.313) 27.219 1.973 ( -3.323 25.065 24.537) 35.233 2.460 ( 6.543 -1.061 -30.039) 30.762 3.066 ( -0.997 15.315 -25.170) 29.480 3.608 ( 4.471 30.290 29.479) 42.503 4.247 ( 7.692 16.542 -2.030) 18.356 4.572 ( -3.044 10.544 5.659) 12.348 5.016 ( -1.261 13.315 -10.503) 17.006 5.457 ( -2.415 0.001 15.540) 15.727 5.955 ( -0.706 -7.418 1.843) 7.676 6.129 ( 2.824 -3.358 -10.596) 11.468 6.406 ( -5.494 -9.477 -11.853) 16.139 7.179 ( 7.753 -13.444 11.714) 19.444 7.274 ( -2.783 6.878 6.143) 9.633 7.511 ( -0.494 -13.477 -5.333) 14.502 7.731 ( 1.881 4.641 -9.905) 11.099 7.886 ( 1.047 -2.082 4.390) 4.971 8.115 ( 0.318 0.105 -1.277) 1.320 8.705 ( 1.030 -5.947 6.447) 8.832 8.921 ( 4.471 -7.565 2.556) 9.152 9.127 ( 3.916 -2.636 10.142) 11.187 9.242 ( -6.743 -0.042 -2.940) 7.356 9.539 ( -0.058 -0.880 -10.193) 10.231 9.596 ( -3.727 -3.271 2.210) 5.429 9.863 ( 1.042 -4.015 -6.162) 7.428 9.963 ( -2.402 -6.897 0.298) 7.309 10.146 ( 7.715 5.661 7.060) 11.892 10.459 ( -2.499 -7.395 0.859) 7.853 10.540 ( -5.408 2.911 2.515) 6.637 10.761 ( -1.419 -2.441 -4.215) 5.073 10.800 ( 4.875 -3.878 -12.411) 13.886 11.005 ( 3.569 -3.257 -5.143) 7.056 11.286 ( 1.396 -6.432 -2.931) 7.205 11.355 ( 0.080 -5.590 -5.925) 8.146 11.694 ( -9.030 -1.866 5.087) 10.531 11.837 ( 9.543 -0.590 0.662) 9.584 12.010 ( -5.451 2.822 -0.143) 6.140 12.062 ( 6.017 -3.061 -2.856) 7.331 12.360 ( -7.572 0.198 8.370) 11.288 12.595 ( 2.266 3.634 -6.477) 7.765 12.838 ( 5.078 -4.304 7.744) 10.212 13.106 ( -10.778 -3.426 -1.743) 11.443 13.350 ( -2.697 3.735 1.027) 4.720 13.529 ( 2.000 3.024 -4.489) 5.770 13.918 ( -3.104 5.988 3.261) 7.492 14.042 ( 5.649 9.640 -0.938) 11.213 14.258 ( 3.135 -1.902 6.442) 7.412 14.421 ( 1.110 2.216 -0.749) 2.589 14.687 ( -3.134 -0.708 0.113) 3.215 14.859 ( 2.121 0.219 -4.792) 5.245 15.113 ( 1.439 3.584 0.455) 3.889 15.252 ( -0.384 11.924 -5.904) 13.311 15.539 ( 0.946 3.910 2.838) 4.923 15.611 ( -3.587 0.840 -0.354) 3.701 16.492 ( 1.104 -2.050 8.221) 8.544 16.741 ( -1.330 -8.357 -3.638) 9.211 17.330 ( 12.370 -15.682 5.280) 20.659 17.575 ( -2.110 -15.953 -5.075) 16.873 18.143 ( 10.427 -2.745 7.131) 12.927 18.303 ( -1.196 2.070 -1.162) 2.658 20.830 ( -15.857 -20.066 27.084) 37.250 21.487 ( 5.900 -6.591 -9.711) 13.136 23.218 ( 2.719 -1.509 9.993) 10.465 23.479 ( -2.003 1.886 -2.423) 3.666 24.049 ( 1.160 7.865 2.258) 8.264 24.365 ( -5.597 9.019 -14.597) 18.048 ======================= Grid point 282 (132/204) ======================= q-point: (-0.09 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 9.235 -5.947 27.039) 29.185 2.009 ( 17.165 17.054 26.160) 35.635 2.516 ( 16.796 3.765 -23.316) 28.982 2.867 ( 4.718 8.228 -27.718) 29.296 3.525 ( 7.538 30.637 26.370) 41.119 4.263 ( 12.298 7.505 -12.193) 18.874 4.509 ( 5.472 10.688 9.044) 15.032 4.747 ( -4.823 16.610 -17.108) 24.328 5.560 ( 6.093 0.134 15.162) 16.341 6.030 ( 0.825 -7.810 -1.914) 8.083 6.249 ( 7.890 -4.528 -3.210) 9.647 6.368 ( -1.431 -5.028 -9.147) 10.535 7.206 ( -0.586 4.289 8.714) 9.730 7.414 ( 1.546 -12.282 8.850) 15.217 7.621 ( 3.455 5.518 -9.554) 11.562 7.668 ( -3.828 -11.064 -5.354) 12.873 7.947 ( -1.967 -3.260 3.214) 4.983 8.244 ( 12.865 -9.636 -2.685) 16.297 8.779 ( -2.328 -6.163 3.025) 7.250 8.968 ( -6.703 -4.336 -7.693) 11.087 9.174 ( 1.782 -2.351 13.930) 14.239 9.265 ( -0.968 -3.703 3.039) 4.887 9.424 ( -6.912 -2.534 -6.348) 9.721 9.663 ( 6.300 -0.600 -8.383) 10.503 9.779 ( -6.632 0.769 -1.700) 6.889 9.974 ( -3.802 -4.307 4.422) 7.250 10.255 ( 6.783 6.187 2.179) 9.436 10.398 ( -3.344 3.781 -3.658) 6.234 10.537 ( -2.092 -7.041 6.959) 10.118 10.750 ( 2.121 0.342 -6.760) 7.093 10.901 ( 8.149 0.180 -9.586) 12.583 11.059 ( -0.342 -9.213 -6.732) 11.416 11.370 ( 0.926 -6.552 -0.396) 6.629 11.414 ( 2.950 -4.007 -3.741) 6.226 11.613 ( -4.819 -2.756 3.624) 6.630 11.860 ( -4.882 0.847 2.818) 5.701 12.000 ( 3.479 2.194 0.008) 4.113 12.140 ( -1.917 2.521 -0.460) 3.200 12.224 ( -0.006 1.077 2.481) 2.704 12.721 ( 9.523 -4.012 3.577) 10.935 12.912 ( -6.505 0.526 -3.315) 7.319 12.980 ( -1.066 0.621 5.605) 5.739 13.355 ( 8.957 -0.560 3.704) 9.709 13.543 ( 2.105 0.941 -3.758) 4.409 13.793 ( -4.844 7.271 2.452) 9.074 13.998 ( 0.871 8.427 -3.517) 9.173 14.226 ( -4.284 3.621 3.267) 6.491 14.501 ( 7.457 6.022 2.414) 9.884 14.591 ( -6.637 -2.732 -2.112) 7.482 14.917 ( -0.957 3.904 -1.678) 4.356 15.057 ( 2.390 0.494 -3.088) 3.936 15.199 ( 5.734 4.628 -3.825) 8.302 15.460 ( -6.935 -0.579 1.602) 7.141 15.595 ( 0.553 2.543 2.203) 3.410 16.524 ( -2.414 -1.263 6.660) 7.196 16.728 ( -3.300 -3.382 -5.053) 6.919 17.468 ( -12.066 -15.530 -7.879) 21.186 17.732 ( 1.350 -10.299 0.521) 10.400 18.194 ( 0.815 4.408 0.155) 4.485 18.769 ( 42.944 -17.297 -11.615) 47.731 20.879 ( -21.527 -27.274 29.973) 45.887 21.632 ( 6.253 -8.151 -2.417) 10.553 23.078 ( -21.655 6.292 1.932) 22.633 23.513 ( 5.783 -1.192 2.393) 6.371 23.994 ( 0.083 8.958 1.131) 9.029 24.102 ( -2.192 14.955 -7.044) 16.676 ======================= Grid point 286 (133/204) ======================= q-point: ( 0.27 0.27 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.817 ( -10.296 -0.000 -31.547) 33.185 3.287 ( 5.135 0.000 -3.226) 6.065 3.960 ( 17.003 0.000 18.686) 25.264 4.082 ( 30.909 0.000 -4.474) 31.231 4.179 ( 19.635 0.000 11.232) 22.621 4.756 ( 10.142 0.000 2.319) 10.404 5.043 ( 5.617 0.000 16.687) 17.607 5.266 ( -10.043 -0.000 0.615) 10.062 5.486 ( -9.273 -0.000 7.809) 12.123 6.055 ( -12.672 -0.000 -3.511) 13.149 6.451 ( -6.132 -0.000 -16.617) 17.712 6.504 ( -3.939 -0.000 -11.192) 11.865 7.034 ( 5.826 0.000 -11.077) 12.516 7.297 ( -6.426 -0.000 5.267) 8.308 7.678 ( 2.492 0.000 6.245) 6.724 8.011 ( 7.280 0.000 -10.069) 12.425 8.031 ( -6.523 -0.000 1.468) 6.686 8.348 ( -5.725 -0.000 16.410) 17.380 8.564 ( -0.739 -0.000 -1.034) 1.271 8.606 ( -2.720 -0.000 -7.579) 8.052 8.748 ( -10.363 -0.000 -4.254) 11.202 8.925 ( -10.017 -0.000 -4.768) 11.094 9.347 ( 2.554 0.000 -2.956) 3.906 9.687 ( -5.271 -0.000 7.732) 9.358 9.985 ( 1.657 0.000 3.924) 4.260 10.262 ( -13.675 -0.000 -0.504) 13.684 10.507 ( 4.979 0.000 -3.670) 6.185 10.539 ( 2.514 0.000 10.282) 10.585 10.639 ( 4.078 0.000 -4.699) 6.222 10.707 ( -13.359 -0.000 -1.909) 13.495 10.941 ( -6.636 -0.000 -7.580) 10.074 11.151 ( 7.668 0.000 0.320) 7.674 11.335 ( 3.003 0.000 2.239) 3.746 11.400 ( -0.548 -0.000 -4.461) 4.495 11.505 ( 2.210 0.000 1.898) 2.913 11.817 ( 1.569 0.000 6.114) 6.312 12.181 ( 0.794 0.000 11.694) 11.721 12.221 ( 13.803 0.000 4.031) 14.379 12.425 ( 0.836 0.000 3.238) 3.344 12.567 ( 0.472 0.000 -11.445) 11.455 12.871 ( -9.210 -0.000 -2.476) 9.537 12.896 ( -7.965 -0.000 -14.135) 16.225 12.961 ( -1.359 -0.000 6.983) 7.114 13.738 ( -1.733 -0.000 10.034) 10.182 13.795 ( 6.014 0.000 4.424) 7.466 13.999 ( -2.711 -0.000 0.975) 2.881 14.139 ( -1.685 -0.000 -5.343) 5.603 14.512 ( -2.256 -0.000 -10.334) 10.577 14.620 ( 3.324 0.000 -3.293) 4.679 14.909 ( -1.919 -0.000 -0.544) 1.995 15.014 ( 2.456 0.000 4.650) 5.259 15.429 ( -4.750 -0.000 7.485) 8.865 15.494 ( 1.840 0.000 -5.258) 5.571 15.641 ( 11.093 0.000 16.324) 19.737 15.913 ( -5.207 -0.000 -3.806) 6.450 16.488 ( -6.984 -0.000 -11.416) 13.383 16.497 ( 2.975 0.000 3.954) 4.948 17.903 ( -6.165 -0.000 -15.638) 16.809 18.475 ( 16.907 0.000 3.474) 17.261 19.081 ( -34.864 -0.000 24.639) 42.692 20.763 ( -15.144 -0.000 10.377) 18.358 21.010 ( 12.709 0.000 -37.961) 40.032 22.531 ( 5.220 0.000 17.604) 18.362 23.573 ( -1.250 -0.000 -2.847) 3.109 24.130 ( 4.141 0.000 -1.468) 4.393 24.243 ( 5.877 0.000 0.616) 5.909 ======================= Grid point 287 (134/204) ======================= q-point: (-0.64 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( -10.182 -5.367 -22.325) 25.117 3.291 ( 1.708 6.534 -4.577) 8.159 4.191 ( 12.464 20.282 17.873) 29.769 4.299 ( 18.177 15.186 -0.046) 23.686 4.630 ( -10.534 -4.964 2.612) 11.934 4.771 ( 3.526 -10.577 1.078) 11.201 4.997 ( -1.729 7.044 10.103) 12.437 5.245 ( 1.879 -12.186 7.966) 14.680 5.620 ( 11.618 -1.000 8.967) 14.710 5.818 ( -11.786 -1.058 -5.908) 13.227 6.183 ( -7.117 10.742 -13.132) 18.398 6.484 ( -7.368 -13.318 -9.864) 18.137 7.125 ( 9.631 0.214 -11.930) 15.334 7.175 ( -6.174 7.269 6.930) 11.788 7.708 ( -4.430 -4.073 1.517) 6.206 7.920 ( -3.960 8.326 10.499) 13.973 8.040 ( 0.091 -1.419 -11.179) 11.269 8.359 ( -5.715 -8.094 11.635) 15.283 8.421 ( -10.571 -5.306 -8.431) 14.525 8.498 ( -5.800 1.194 -3.149) 6.707 8.712 ( 1.310 -1.259 2.896) 3.419 8.739 ( -10.848 0.242 -2.378) 11.109 9.349 ( 0.393 4.267 0.311) 4.296 9.644 ( -2.622 -1.583 1.577) 3.444 9.969 ( -2.215 6.943 4.917) 8.791 10.104 ( -6.784 -5.706 -0.915) 8.911 10.407 ( -8.965 11.225 -5.014) 15.216 10.573 ( -2.051 0.485 7.259) 7.559 10.585 ( -2.319 -3.434 0.119) 4.145 10.712 ( 5.272 -4.192 -8.771) 11.058 10.850 ( -5.850 -5.973 -4.971) 9.726 11.222 ( 1.855 4.717 2.823) 5.802 11.315 ( 2.003 4.856 -5.962) 7.946 11.401 ( -1.433 -3.888 -3.549) 5.456 11.534 ( -0.410 -0.116 2.850) 2.881 11.910 ( 4.249 -0.790 7.080) 8.294 12.201 ( -5.840 5.964 4.606) 9.534 12.262 ( -3.955 0.292 -1.869) 4.384 12.438 ( -1.083 -5.107 -0.700) 5.267 12.635 ( 7.937 1.668 6.538) 10.417 12.733 ( -6.095 -2.454 -3.946) 7.664 12.845 ( 10.844 -0.102 -16.020) 19.346 12.987 ( -2.503 -3.923 6.731) 8.183 13.697 ( -4.104 2.152 7.079) 8.460 13.875 ( 5.711 4.215 0.634) 7.126 14.010 ( -1.314 -1.406 5.176) 5.523 14.130 ( -1.502 -9.176 -1.471) 9.414 14.498 ( 2.139 0.028 -6.886) 7.210 14.654 ( 2.803 1.708 -2.179) 3.940 14.811 ( -9.824 -0.800 11.709) 15.306 15.080 ( 6.119 2.953 -7.283) 9.960 15.326 ( -6.709 -0.564 0.883) 6.790 15.561 ( 6.407 0.675 -3.527) 7.345 15.815 ( 7.335 0.528 2.124) 7.655 15.952 ( 4.320 -4.982 9.252) 11.362 16.363 ( -3.299 -0.753 -8.577) 9.220 16.594 ( 4.774 -1.673 4.963) 7.086 17.673 ( -10.324 4.253 -15.018) 18.714 18.636 ( -30.193 -0.056 15.846) 34.099 18.740 ( 10.899 -1.237 4.527) 11.866 20.593 ( -12.084 -1.779 12.340) 17.363 21.073 ( 12.369 -0.243 -31.928) 34.241 22.662 ( 5.542 4.789 17.489) 18.961 23.557 ( 0.490 -0.291 -3.118) 3.170 24.192 ( 3.727 -0.377 -1.060) 3.893 24.338 ( 5.028 -1.700 -1.178) 5.436 ======================= Grid point 288 (135/204) ======================= q-point: (-0.55 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -5.054 -5.780 -13.831) 15.819 3.174 ( -1.829 14.440 -3.843) 15.054 4.032 ( -15.692 13.575 2.399) 20.887 4.220 ( -12.817 15.476 9.591) 22.266 4.488 ( 8.227 6.568 -1.203) 10.595 4.760 ( 0.725 12.149 0.571) 12.184 5.072 ( -4.498 0.373 11.581) 12.430 5.507 ( -5.013 -4.703 3.829) 7.868 5.635 ( 11.563 -4.472 3.108) 12.781 5.849 ( 0.878 5.954 -6.924) 9.174 5.993 ( -0.240 -6.109 -0.842) 6.171 6.424 ( -10.607 -10.524 -3.054) 15.251 6.973 ( -8.319 11.815 4.814) 15.230 7.275 ( 13.569 0.053 -13.060) 18.833 7.633 ( -7.925 -4.065 -2.690) 9.304 7.858 ( 0.307 6.617 11.861) 13.585 7.981 ( -2.198 -0.078 -8.519) 8.798 8.253 ( -9.902 -9.664 -7.555) 15.765 8.331 ( -12.439 -0.618 2.563) 12.715 8.538 ( -1.182 -3.423 15.884) 16.291 8.598 ( -2.051 -6.380 -6.959) 9.661 8.788 ( 4.808 -4.294 3.368) 7.273 9.298 ( -0.145 5.242 2.027) 5.622 9.645 ( 0.286 -2.542 -3.700) 4.498 9.889 ( -4.558 0.577 3.686) 5.891 10.089 ( -1.479 -2.804 -0.746) 3.257 10.133 ( -8.932 8.892 -5.208) 13.638 10.518 ( -7.573 -0.539 6.510) 10.001 10.580 ( -2.236 -2.366 -0.200) 3.261 10.769 ( -3.653 -9.592 -7.544) 12.738 10.843 ( 4.555 1.380 -2.764) 5.504 11.155 ( -4.138 5.157 3.378) 7.424 11.286 ( 1.637 3.909 -4.505) 6.185 11.382 ( -1.246 -1.604 -6.216) 6.539 11.533 ( -0.145 -0.897 -1.873) 2.082 11.907 ( -16.335 1.745 -2.696) 16.648 11.987 ( 0.231 2.724 6.291) 6.859 12.268 ( 2.423 1.491 -0.351) 2.866 12.463 ( -5.142 -6.799 1.393) 8.638 12.638 ( -1.711 -0.853 -5.084) 5.431 12.753 ( 1.848 -3.221 -6.169) 7.201 13.029 ( 0.758 -3.564 6.039) 7.053 13.042 ( 15.876 1.997 -1.198) 16.046 13.664 ( -0.309 1.902 3.996) 4.437 13.872 ( -3.581 0.923 -1.834) 4.128 14.085 ( 6.782 -1.050 10.194) 12.289 14.203 ( -1.899 -8.085 1.039) 8.370 14.443 ( -6.438 0.662 -0.907) 6.535 14.651 ( 0.927 2.743 -0.346) 2.917 14.781 ( -1.250 -2.632 6.537) 7.157 15.127 ( 7.470 2.727 -2.665) 8.387 15.261 ( -2.191 -1.686 -3.861) 4.749 15.641 ( 6.667 1.714 -3.482) 7.714 15.917 ( 4.174 1.268 3.379) 5.518 16.125 ( 5.992 -6.432 -1.165) 8.868 16.332 ( 1.121 -0.281 -0.796) 1.403 16.700 ( 2.704 -3.597 3.302) 5.582 17.423 ( -8.042 2.536 -10.372) 13.368 18.255 ( -23.771 -0.755 9.725) 25.695 18.847 ( 0.120 2.049 4.231) 4.703 20.520 ( -7.807 -4.613 14.162) 16.816 21.147 ( 11.453 -0.723 -27.293) 29.607 22.776 ( 6.934 5.661 16.301) 18.597 23.563 ( 1.334 0.058 -2.470) 2.808 24.236 ( 2.568 1.427 -0.445) 2.972 24.426 ( 4.263 -2.837 -3.169) 6.022 ======================= Grid point 289 (136/204) ======================= q-point: (-0.45 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 2.575 -0.585 -11.426) 11.728 2.893 ( -7.373 25.157 0.175) 26.216 3.625 ( -20.950 11.322 0.349) 23.816 3.839 ( -16.645 9.817 -6.675) 20.445 4.518 ( 3.203 11.521 8.404) 14.616 4.617 ( -2.358 17.384 4.457) 18.100 4.972 ( 0.968 12.312 7.399) 14.397 5.473 ( -5.683 -7.977 -3.299) 10.334 5.611 ( -6.148 8.674 2.937) 11.030 5.827 ( -2.865 -0.768 3.303) 4.439 6.148 ( 2.198 -5.632 -4.276) 7.405 6.410 ( -1.677 -8.313 4.370) 9.540 6.732 ( -5.889 9.885 -0.110) 11.507 7.443 ( 9.860 -1.113 -10.276) 14.285 7.562 ( 0.655 1.348 -4.291) 4.545 7.779 ( -7.814 6.044 0.993) 9.929 7.975 ( 0.554 -10.072 -7.426) 12.526 8.106 ( -13.269 1.573 7.734) 15.439 8.284 ( 2.159 -9.394 -0.028) 9.639 8.560 ( 0.328 -0.503 13.409) 13.422 8.674 ( 0.466 -4.977 -0.847) 5.070 9.026 ( 11.442 -11.457 3.505) 16.567 9.286 ( 1.900 0.668 0.065) 2.015 9.664 ( 2.460 -0.038 -5.227) 5.777 9.820 ( -9.378 -6.100 2.464) 11.455 9.917 ( -7.392 4.539 -3.579) 9.384 10.092 ( -0.250 -2.155 -4.208) 4.735 10.422 ( -8.161 -1.160 8.188) 11.619 10.561 ( -3.149 -2.958 0.551) 4.355 10.767 ( -2.448 -5.842 -3.696) 7.333 10.879 ( 3.375 4.697 -2.689) 6.378 11.045 ( -3.741 4.780 1.139) 6.175 11.239 ( -3.622 -0.827 -3.040) 4.801 11.340 ( -2.102 0.680 -9.847) 10.092 11.534 ( 1.597 -1.534 -4.338) 4.871 11.693 ( -5.636 -2.221 -2.277) 6.472 11.980 ( -1.961 0.876 3.535) 4.136 12.258 ( -5.897 -2.383 0.885) 6.422 12.429 ( -2.073 -0.147 2.161) 2.998 12.617 ( -0.770 -1.747 -2.238) 2.942 12.757 ( -0.303 -2.762 -10.508) 10.869 13.116 ( 0.882 -3.416 5.500) 6.534 13.247 ( 11.912 3.411 2.942) 12.735 13.659 ( 2.697 1.979 -9.037) 9.637 13.816 ( -5.131 -6.357 6.023) 10.150 14.174 ( -5.393 0.365 7.197) 9.000 14.261 ( 0.634 1.604 13.452) 13.562 14.368 ( 0.366 -4.316 -2.661) 5.084 14.631 ( 0.749 1.658 -4.610) 4.957 14.833 ( 0.532 -3.290 4.216) 5.374 15.227 ( 4.583 1.674 -2.312) 5.399 15.278 ( 7.502 -0.519 -0.374) 7.530 15.701 ( 5.491 3.766 -3.199) 7.387 15.930 ( -2.001 2.846 3.248) 4.760 16.242 ( 4.759 -5.713 -9.289) 11.898 16.337 ( -0.354 4.710 5.581) 7.311 16.808 ( 1.303 -12.170 0.277) 12.243 17.308 ( -1.629 0.215 -6.904) 7.097 17.999 ( -13.273 -1.755 9.676) 16.519 18.749 ( -9.306 4.280 3.188) 10.728 20.535 ( -5.038 -5.356 16.151) 17.746 21.225 ( 9.530 -2.109 -23.698) 25.629 22.913 ( 7.738 3.692 15.085) 17.351 23.571 ( 1.193 0.755 -2.128) 2.554 24.243 ( 1.509 3.569 0.244) 3.883 24.497 ( 2.932 -2.776 -5.345) 6.699 ======================= Grid point 290 (137/204) ======================= q-point: (-0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 5.553 14.875 -8.861) 18.183 2.532 ( -2.319 20.132 -4.419) 20.741 3.036 ( -25.769 27.173 0.211) 37.449 3.546 ( -7.746 3.307 -17.767) 19.662 4.370 ( 1.707 30.383 23.722) 38.584 4.553 ( 1.034 0.733 5.135) 5.290 4.904 ( 0.315 14.063 4.436) 14.750 5.394 ( -5.340 2.600 -5.023) 7.779 5.496 ( -2.043 6.270 11.046) 12.865 5.786 ( -5.618 -5.703 1.994) 8.250 6.136 ( -2.804 -3.497 -9.599) 10.594 6.340 ( -7.789 0.357 -9.393) 12.207 6.753 ( 7.649 -0.099 9.409) 12.126 7.402 ( -9.432 -1.096 -5.378) 10.913 7.521 ( -0.648 5.860 -0.507) 5.918 7.769 ( 10.678 0.925 -7.404) 13.027 7.941 ( -8.096 1.136 4.558) 9.360 8.048 ( 0.466 -7.444 -7.656) 10.689 8.441 ( 1.466 -8.677 8.075) 11.944 8.682 ( 1.979 -4.583 12.571) 13.526 8.754 ( 6.394 -6.258 1.740) 9.114 9.293 ( 6.125 -3.142 -2.621) 7.366 9.373 ( 5.821 -8.713 2.683) 10.817 9.645 ( -1.493 -0.058 -6.556) 6.724 9.740 ( -6.996 0.875 -0.827) 7.099 9.793 ( -5.621 -8.503 0.045) 10.193 10.099 ( 2.348 -1.393 -4.295) 5.089 10.369 ( -5.227 -1.935 9.814) 11.286 10.555 ( -2.228 -3.963 1.991) 4.963 10.755 ( -3.628 -0.364 -5.182) 6.336 10.816 ( -2.287 3.638 -1.338) 4.501 10.980 ( 1.516 3.416 -1.855) 4.172 11.178 ( -3.118 -3.544 -6.300) 7.872 11.265 ( -0.740 -2.203 -9.764) 10.036 11.623 ( 8.256 -3.119 -5.328) 10.309 11.693 ( -1.344 -3.354 1.947) 4.104 11.945 ( -2.855 -2.016 -0.045) 3.495 12.147 ( -9.784 -2.337 2.889) 10.466 12.433 ( 1.520 3.765 4.276) 5.897 12.634 ( 1.479 -1.817 2.419) 3.368 12.718 ( -1.737 -1.592 -10.811) 11.065 13.121 ( -5.972 -4.101 -0.478) 7.260 13.384 ( 7.019 3.192 4.855) 9.112 13.621 ( -2.841 -0.992 -9.219) 9.698 13.918 ( 7.207 -5.341 7.433) 11.650 14.088 ( -4.856 3.574 7.841) 9.891 14.239 ( -4.608 -1.673 3.474) 6.008 14.418 ( -3.434 -1.116 4.435) 5.719 14.651 ( 8.232 1.790 -6.747) 10.793 14.872 ( -1.801 -3.062 1.162) 3.738 15.249 ( 4.171 5.357 -0.362) 6.799 15.423 ( 7.183 0.174 -0.214) 7.189 15.702 ( 2.925 7.259 -3.105) 8.420 15.818 ( -7.019 5.878 0.328) 9.161 16.325 ( 1.995 -3.863 9.545) 10.489 16.372 ( 4.439 -4.652 -1.576) 6.621 16.954 ( 1.616 -13.031 -6.160) 14.504 17.249 ( -5.549 -4.864 -5.343) 9.110 17.975 ( 2.671 -0.756 11.417) 11.750 18.535 ( -11.607 4.333 1.121) 12.440 20.575 ( -6.058 -5.290 18.879) 20.521 21.297 ( 7.522 -3.457 -20.585) 22.187 23.066 ( 6.133 0.743 14.134) 15.425 23.562 ( 0.138 1.606 -2.473) 2.952 24.222 ( 1.021 5.161 1.281) 5.415 24.520 ( 0.447 -1.442 -7.985) 8.126 ======================= Grid point 291 (138/204) ======================= q-point: (-0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -7.262 36.299 -3.723) 37.205 2.468 ( -4.029 18.290 -0.173) 18.730 2.506 ( 9.389 13.453 -7.289) 17.952 3.342 ( 2.195 11.038 -24.680) 27.125 4.236 ( 5.775 31.451 27.268) 42.024 4.605 ( 5.489 12.392 8.146) 15.813 4.721 ( -6.804 8.304 6.134) 12.364 5.251 ( -2.963 7.571 -8.846) 12.015 5.489 ( 1.463 4.095 14.027) 14.686 5.808 ( -0.482 -6.090 3.440) 7.011 6.071 ( -0.936 -1.725 -12.071) 12.230 6.226 ( -3.834 -6.804 -14.495) 16.465 6.955 ( 7.801 -6.786 11.056) 15.138 7.298 ( -3.011 -5.822 -2.623) 7.060 7.441 ( -2.173 7.163 0.995) 7.551 7.785 ( -5.175 -0.364 -4.052) 6.583 7.910 ( 5.011 3.802 -3.615) 7.255 8.086 ( 2.032 -3.439 -5.355) 6.681 8.576 ( 0.744 -7.458 10.902) 13.230 8.788 ( 3.639 -4.778 1.603) 6.216 8.973 ( 2.298 -11.078 9.955) 15.070 9.286 ( -8.001 3.034 0.592) 8.577 9.458 ( 3.395 -6.830 -5.714) 9.530 9.599 ( -7.587 2.107 0.615) 7.898 9.733 ( 6.264 -7.151 -9.594) 13.507 9.834 ( -0.875 -7.023 -0.374) 7.087 10.207 ( 10.432 -0.376 5.738) 11.912 10.337 ( -7.485 -4.120 4.917) 9.858 10.587 ( -2.647 -1.690 7.457) 8.092 10.615 ( -3.966 -1.834 -8.020) 9.133 10.790 ( 0.598 -0.481 -5.620) 5.672 11.007 ( 6.113 2.048 -5.736) 8.630 11.174 ( 0.643 -4.456 -5.564) 7.157 11.278 ( 3.687 -3.038 -9.940) 11.028 11.644 ( -8.960 -3.219 3.111) 10.017 11.796 ( 9.579 -3.685 -2.601) 10.588 11.991 ( 4.897 -3.672 1.333) 6.265 12.040 ( -5.497 0.082 -0.736) 5.547 12.397 ( -4.742 3.577 7.039) 9.211 12.642 ( -2.784 0.441 -7.919) 8.405 12.754 ( 8.014 -3.258 6.284) 10.693 13.027 ( -9.330 -4.349 -3.354) 10.826 13.414 ( -2.381 2.675 3.077) 4.721 13.553 ( -1.234 0.047 -2.089) 2.427 14.012 ( -4.672 3.439 6.130) 8.440 14.149 ( 7.727 -2.877 2.144) 8.520 14.228 ( 3.282 1.204 3.135) 4.696 14.359 ( -2.929 -3.898 -1.017) 4.981 14.746 ( 5.261 3.913 -1.682) 6.769 14.849 ( -0.457 -1.175 -3.137) 3.381 15.234 ( 0.443 7.641 2.840) 8.164 15.454 ( 1.992 6.416 -5.886) 8.932 15.634 ( -9.468 3.665 1.071) 10.209 15.654 ( 1.914 6.530 0.248) 6.810 16.443 ( 0.273 -3.774 9.041) 9.801 16.530 ( 3.939 -10.937 0.726) 11.647 17.090 ( 5.306 -9.709 -2.864) 11.428 17.223 ( -6.259 -16.539 -5.314) 18.465 18.140 ( 11.802 1.607 9.480) 15.223 18.353 ( -4.776 2.692 -1.978) 5.828 20.590 ( -9.898 -5.989 22.385) 25.198 21.371 ( 6.419 -5.120 -17.347) 19.192 23.188 ( 0.369 -1.449 13.371) 13.454 23.524 ( -0.473 2.464 -3.443) 4.260 24.188 ( 0.718 6.082 2.838) 6.750 24.463 ( -2.781 1.873 -10.490) 11.013 ======================= Grid point 292 (139/204) ======================= q-point: (-0.18 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -2.815 24.106 4.794) 24.738 2.385 ( 12.003 19.258 12.503) 25.909 2.592 ( 19.001 9.124 -18.556) 28.082 3.187 ( 8.727 18.898 -21.710) 30.077 4.144 ( 7.654 30.123 21.458) 37.768 4.465 ( 1.964 13.453 -1.855) 13.722 4.724 ( 4.443 8.542 14.018) 17.007 5.046 ( -4.793 11.732 -13.562) 18.561 5.592 ( 8.480 4.256 12.908) 16.020 5.893 ( 2.691 -4.582 3.641) 6.441 6.106 ( 1.946 -10.745 -4.273) 11.726 6.236 ( 4.566 -6.498 -13.944) 16.047 7.169 ( 1.148 -9.857 5.067) 11.143 7.301 ( -1.284 1.318 -2.529) 3.128 7.451 ( 5.674 -5.685 3.048) 8.591 7.691 ( -2.563 -0.945 -4.729) 5.461 7.891 ( -1.821 1.043 0.161) 2.105 8.177 ( 8.968 -1.180 -5.494) 10.583 8.674 ( -1.639 -4.831 8.129) 9.597 8.870 ( -2.275 -5.436 -5.833) 8.292 9.077 ( -4.472 -11.502 5.848) 13.656 9.162 ( -4.633 0.788 9.312) 10.431 9.456 ( -7.142 2.268 -0.584) 7.516 9.607 ( 8.684 -4.401 -7.892) 12.533 9.760 ( -3.467 -2.366 -5.703) 7.081 9.885 ( 0.169 -4.278 0.948) 4.385 10.252 ( -7.567 -5.454 -3.130) 9.839 10.445 ( 12.580 0.665 7.954) 14.898 10.508 ( -2.321 2.823 3.388) 4.983 10.690 ( 0.352 -7.309 3.433) 8.083 10.795 ( 1.912 -3.972 -9.068) 10.083 11.038 ( 4.270 3.354 -9.822) 11.223 11.236 ( 1.933 -5.991 -2.015) 6.609 11.359 ( 7.569 -2.882 -9.234) 12.283 11.562 ( -4.291 -2.320 1.263) 5.039 11.859 ( -6.242 -1.369 -0.411) 6.404 12.037 ( 7.118 0.681 -1.953) 7.412 12.142 ( 7.277 -2.598 1.749) 7.923 12.259 ( -9.061 4.219 4.090) 10.800 12.634 ( 2.440 -4.445 3.212) 6.003 12.896 ( -9.463 -2.313 -2.057) 9.956 12.967 ( 9.696 -1.783 6.092) 11.589 13.362 ( 0.112 1.291 2.660) 2.959 13.531 ( -1.956 -1.286 -2.420) 3.367 13.918 ( -4.238 4.309 4.403) 7.478 14.168 ( -0.235 8.130 -2.327) 8.460 14.227 ( -1.610 -3.807 0.971) 4.246 14.512 ( 6.446 -3.056 -1.401) 7.270 14.671 ( -1.386 7.265 1.511) 7.549 14.933 ( 7.517 -1.246 -2.624) 8.058 15.125 ( -4.883 6.347 -1.039) 8.076 15.359 ( 0.957 10.324 -4.432) 11.276 15.465 ( -8.881 1.001 1.260) 9.025 15.642 ( 0.091 2.459 3.633) 4.387 16.468 ( -5.306 -5.131 3.813) 8.308 16.646 ( 1.255 -4.635 -1.068) 4.919 17.148 ( -9.099 -14.953 -6.708) 18.745 17.439 ( 4.761 -18.339 1.072) 18.977 18.286 ( 5.227 4.449 0.572) 6.888 18.497 ( 25.361 -8.370 -2.298) 26.805 20.555 ( -15.528 -7.788 26.521) 31.704 21.471 ( 6.294 -7.703 -12.898) 16.288 23.147 ( -12.948 1.779 7.841) 15.241 23.509 ( 2.712 0.709 -0.658) 2.879 24.147 ( -0.054 6.564 3.744) 7.557 24.320 ( -3.181 6.904 -9.682) 12.310 ======================= Grid point 293 (140/204) ======================= q-point: (-0.09 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 12.410 -3.557 15.899) 20.480 2.471 ( 12.536 8.059 -5.714) 15.961 2.786 ( 22.456 10.392 -4.715) 25.189 3.113 ( 15.183 19.646 -6.379) 25.635 4.033 ( 5.918 28.291 9.397) 30.393 4.468 ( 12.452 8.287 -9.924) 17.951 4.743 ( 0.419 8.027 -8.149) 11.447 4.834 ( 6.260 15.103 6.434) 17.569 5.700 ( 1.404 1.356 5.982) 6.292 6.057 ( 12.245 -1.901 6.182) 13.848 6.282 ( 4.771 -12.331 4.854) 14.085 6.363 ( 10.807 -1.723 -10.630) 15.256 7.168 ( -4.673 -7.555 -0.858) 8.925 7.372 ( -8.504 -6.093 -0.781) 10.491 7.479 ( 5.309 -4.075 -5.985) 8.979 7.728 ( 4.166 4.740 -1.736) 6.546 7.946 ( 4.841 -5.106 7.667) 10.406 8.334 ( 10.307 -4.043 -7.069) 13.136 8.693 ( -2.987 -4.558 2.208) 5.880 8.814 ( -4.421 -3.494 -4.632) 7.295 9.063 ( -13.865 -5.412 -1.272) 14.938 9.181 ( -2.281 -7.461 6.826) 10.367 9.324 ( -3.963 2.047 -1.945) 4.866 9.653 ( -2.090 -1.432 -5.668) 6.208 9.773 ( 4.566 -0.694 1.006) 4.726 9.945 ( 2.194 -3.130 4.776) 6.118 10.214 ( -2.741 -6.865 -2.273) 7.734 10.480 ( 0.459 3.792 4.545) 5.937 10.593 ( 5.843 6.160 4.702) 9.706 10.758 ( 2.991 -1.508 -2.555) 4.213 10.878 ( 0.451 -12.069 0.819) 12.105 11.017 ( 3.079 3.060 -9.006) 9.998 11.312 ( -0.407 -7.527 -1.845) 7.760 11.457 ( 6.786 0.847 -8.048) 10.561 11.567 ( 0.441 -1.522 1.246) 2.016 11.795 ( -2.027 -2.910 -0.559) 3.590 12.008 ( -6.177 4.840 -0.298) 7.853 12.138 ( 1.160 2.284 -2.718) 3.735 12.323 ( 6.203 -2.274 8.035) 10.402 12.700 ( -9.147 -1.987 0.552) 9.377 12.804 ( 0.853 -2.061 1.883) 2.920 13.114 ( 8.355 0.113 0.227) 8.359 13.375 ( -5.096 -3.965 3.698) 7.441 13.588 ( 7.158 -3.267 -3.811) 8.743 13.878 ( 5.348 5.458 8.072) 11.115 14.054 ( -1.735 6.690 -2.624) 7.393 14.203 ( -4.415 3.489 0.818) 5.687 14.495 ( -0.186 -0.643 -3.863) 3.921 14.665 ( 2.336 7.731 2.852) 8.565 14.901 ( -6.208 7.427 -0.185) 9.681 15.102 ( 3.400 -1.883 -1.671) 4.231 15.290 ( 1.175 1.995 -3.538) 4.229 15.344 ( -5.093 1.840 0.742) 5.466 15.618 ( -2.582 1.524 4.154) 5.123 16.444 ( -5.328 -5.794 3.078) 8.452 16.649 ( -4.083 -1.498 -1.690) 4.666 17.108 ( -7.343 -11.106 -10.321) 16.846 17.593 ( -3.044 -12.808 -1.199) 13.220 18.319 ( 5.693 7.529 -0.662) 9.463 19.156 ( 37.072 -22.307 -16.263) 46.221 20.465 ( -22.293 -11.678 30.920) 39.867 21.625 ( 6.575 -10.668 -6.326) 14.037 22.799 ( -23.758 10.724 0.358) 26.069 23.572 ( 2.648 -2.031 3.033) 4.510 24.078 ( -0.081 8.118 -0.025) 8.119 24.195 ( 0.529 8.334 -1.475) 8.480 ======================= Grid point 298 (141/204) ======================= q-point: ( 0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -3.372 -0.000 -8.630) 9.266 3.309 ( 0.272 0.000 -7.300) 7.305 4.178 ( -30.951 -0.000 2.767) 31.074 4.423 ( -14.221 -0.000 -6.645) 15.697 4.590 ( 12.560 0.000 12.525) 17.737 4.904 ( 15.160 0.000 8.897) 17.578 4.990 ( -8.686 -0.000 6.833) 11.052 5.401 ( 8.246 0.000 12.441) 14.926 5.640 ( 6.432 0.000 -10.695) 12.480 5.845 ( 8.008 0.000 6.262) 10.166 6.074 ( -9.601 -0.000 -12.474) 15.741 6.235 ( -8.500 -0.000 -2.900) 8.981 7.114 ( -9.754 -0.000 7.361) 12.220 7.273 ( 13.401 0.000 -12.821) 18.546 7.576 ( -6.039 -0.000 -2.721) 6.623 7.924 ( -7.250 -0.000 -7.943) 10.754 8.048 ( 3.376 0.000 17.359) 17.684 8.163 ( -9.156 -0.000 -11.673) 14.835 8.290 ( -3.343 -0.000 2.911) 4.433 8.386 ( -6.256 -0.000 1.264) 6.382 8.596 ( -6.144 -0.000 3.922) 7.289 8.754 ( 2.465 0.000 4.237) 4.901 9.378 ( -0.512 -0.000 1.426) 1.515 9.586 ( -3.528 -0.000 -0.187) 3.533 9.900 ( -7.557 -0.000 -2.797) 8.058 10.049 ( -0.830 -0.000 4.817) 4.888 10.322 ( -8.301 -0.000 -3.789) 9.125 10.472 ( -8.336 -0.000 -3.080) 8.887 10.560 ( -2.187 -0.000 5.010) 5.467 10.625 ( -1.754 -0.000 -5.985) 6.237 10.861 ( 6.843 0.000 -4.506) 8.194 11.216 ( -7.110 -0.000 5.502) 8.990 11.325 ( -2.962 -0.000 -0.016) 2.962 11.372 ( 5.526 0.000 -15.338) 16.303 11.524 ( -0.789 -0.000 1.571) 1.759 11.923 ( -14.398 -0.000 -1.216) 14.450 12.050 ( -1.701 -0.000 6.200) 6.429 12.209 ( -8.147 -0.000 1.822) 8.349 12.423 ( 2.845 0.000 -1.748) 3.339 12.636 ( -2.052 -0.000 -5.457) 5.830 12.711 ( 3.406 0.000 -9.624) 10.209 12.994 ( 1.526 0.000 8.895) 9.025 13.063 ( 16.241 0.000 -1.199) 16.285 13.676 ( -1.760 -0.000 6.450) 6.686 13.935 ( -8.666 -0.000 -8.515) 12.149 14.065 ( 3.968 0.000 2.561) 4.723 14.074 ( 8.171 0.000 12.405) 14.854 14.453 ( -7.210 -0.000 -0.089) 7.211 14.691 ( 1.317 0.000 -3.074) 3.344 14.743 ( -2.460 -0.000 9.866) 10.168 15.158 ( 6.139 0.000 -5.753) 8.413 15.240 ( -1.819 -0.000 -2.404) 3.015 15.656 ( 6.566 0.000 -3.829) 7.601 15.930 ( 4.375 0.000 3.718) 5.741 16.058 ( 7.817 0.000 1.546) 7.968 16.321 ( 2.723 0.000 -2.866) 3.953 16.675 ( 1.503 0.000 4.532) 4.775 17.448 ( -11.027 -0.000 -9.791) 14.746 18.250 ( -23.433 -0.000 8.061) 24.781 18.869 ( 1.724 0.000 4.256) 4.592 20.474 ( -7.220 -0.000 13.496) 15.306 21.143 ( 11.304 0.000 -27.926) 30.127 22.833 ( 4.057 0.000 18.613) 19.050 23.565 ( 2.263 0.000 -4.097) 4.681 24.253 ( 4.128 0.000 -1.141) 4.283 24.393 ( 3.757 0.000 -2.036) 4.273 ======================= Grid point 300 (142/204) ======================= q-point: (-0.55 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 6.221 -0.095 3.441) 7.110 3.243 ( -0.847 8.723 -6.073) 10.663 3.690 ( -25.845 1.768 1.512) 25.949 4.069 ( -20.225 5.674 -7.545) 22.319 4.684 ( -1.421 11.856 4.282) 12.685 4.888 ( -2.930 -0.966 6.859) 7.521 5.133 ( 8.730 5.351 11.027) 15.048 5.324 ( -8.897 -3.907 -9.460) 13.561 5.760 ( -4.995 10.791 2.824) 12.221 5.904 ( -3.009 2.805 -3.076) 5.137 6.062 ( 17.118 -4.916 1.296) 17.857 6.187 ( -1.385 -10.468 4.244) 11.380 6.923 ( -10.763 6.750 0.938) 12.738 7.393 ( 4.155 -2.349 -10.668) 11.687 7.577 ( 8.658 -0.236 -2.569) 9.034 7.809 ( -4.818 -3.951 -2.502) 6.714 7.952 ( -8.252 6.159 -11.144) 15.173 8.121 ( -14.607 -1.286 3.936) 15.183 8.180 ( 6.623 2.777 14.058) 15.786 8.499 ( 6.011 -11.094 -5.523) 13.774 8.571 ( -1.566 0.299 14.554) 14.641 8.851 ( 6.598 -4.428 4.225) 8.999 9.343 ( -0.914 4.179 1.112) 4.420 9.556 ( -3.981 -7.082 -1.400) 8.244 9.773 ( -7.418 -0.185 -3.224) 8.090 10.000 ( -6.148 1.270 -5.122) 8.102 10.158 ( -2.509 8.633 2.674) 9.379 10.349 ( -10.407 -6.353 4.034) 12.843 10.550 ( 0.224 1.922 0.572) 2.018 10.639 ( 1.055 -6.191 -3.616) 7.247 10.944 ( 5.960 1.852 -4.656) 7.786 11.099 ( -7.815 0.460 2.579) 8.243 11.252 ( -4.249 1.550 -2.138) 5.003 11.383 ( 2.439 1.875 -13.360) 13.710 11.526 ( -0.033 1.329 -1.156) 1.762 11.648 ( -12.087 -2.340 -2.274) 12.520 12.013 ( -6.486 2.746 2.654) 7.527 12.129 ( -6.990 -6.961 5.054) 11.084 12.471 ( 4.089 1.545 -0.419) 4.391 12.590 ( -1.202 -0.558 -4.515) 4.705 12.713 ( 2.210 -1.440 -13.928) 14.176 13.072 ( 1.070 -0.975 7.870) 8.002 13.290 ( 11.699 1.036 3.006) 12.123 13.701 ( 2.911 1.184 -5.786) 6.584 13.746 ( -7.928 -0.463 0.545) 7.960 14.092 ( -3.761 -5.254 4.656) 7.964 14.293 ( -6.249 1.651 10.168) 12.048 14.328 ( 6.133 -0.878 9.163) 11.061 14.670 ( 0.516 1.554 -6.379) 6.586 14.781 ( 0.859 -1.709 4.715) 5.089 15.250 ( 6.433 0.612 -1.948) 6.749 15.265 ( 6.461 -0.588 -1.917) 6.765 15.737 ( 5.441 0.486 -2.949) 6.208 15.958 ( -2.974 0.376 6.570) 7.221 16.176 ( 8.138 -1.154 -9.574) 12.618 16.418 ( 6.335 2.542 3.361) 7.608 16.635 ( -7.657 -4.774 0.809) 9.059 17.310 ( -2.817 -0.016 -6.999) 7.545 17.981 ( -12.322 -0.278 7.321) 14.336 18.811 ( -9.208 1.730 3.480) 9.995 20.471 ( -1.915 -1.459 13.629) 13.840 21.201 ( 9.062 -0.528 -24.379) 26.015 22.961 ( 3.468 1.173 18.051) 18.419 23.586 ( 2.467 0.486 -4.040) 4.758 24.300 ( 3.182 1.976 -0.780) 3.826 24.443 ( 2.493 -2.079 -3.224) 4.575 ======================= Grid point 301 (143/204) ======================= q-point: (-0.45 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 13.256 6.673 4.419) 15.485 3.009 ( -6.590 20.632 1.315) 21.699 3.413 ( -10.260 3.459 -3.442) 11.361 3.638 ( -15.256 11.254 -10.035) 21.450 4.493 ( -8.785 -0.937 -3.810) 9.621 4.881 ( 2.859 16.661 17.524) 24.349 5.139 ( -3.177 2.166 -4.363) 5.815 5.254 ( -3.662 -5.095 -2.209) 6.652 5.621 ( -2.760 6.827 7.928) 10.820 5.826 ( -0.384 4.891 1.007) 5.009 6.099 ( -1.238 0.588 -2.773) 3.093 6.408 ( 1.167 2.753 0.102) 2.992 6.770 ( 2.895 1.729 2.480) 4.185 7.391 ( -3.430 -0.846 -7.114) 7.943 7.657 ( -6.585 6.931 -2.215) 9.814 7.739 ( 6.844 -3.146 -6.081) 9.681 7.875 ( 2.182 -6.601 -2.193) 7.290 7.958 ( -7.381 -0.993 0.061) 7.448 8.322 ( 3.962 -1.948 10.238) 11.149 8.613 ( 2.087 -4.882 8.371) 9.913 8.661 ( 3.980 -1.215 4.466) 6.105 9.113 ( 11.955 -11.607 2.912) 16.915 9.311 ( 0.769 0.514 -2.252) 2.435 9.548 ( -10.349 -9.521 -0.237) 14.065 9.654 ( -2.766 -0.464 -2.943) 4.066 9.838 ( -5.668 3.724 -6.134) 9.145 10.101 ( -0.068 1.946 2.413) 3.101 10.298 ( -7.182 -5.164 9.131) 12.713 10.542 ( 1.639 2.307 -0.056) 2.831 10.713 ( 2.988 -3.051 -3.355) 5.431 10.906 ( -6.442 3.961 -1.670) 7.744 11.042 ( 0.863 0.620 -0.850) 1.361 11.156 ( -1.913 2.515 -8.804) 9.354 11.250 ( -4.429 0.964 -8.846) 9.940 11.556 ( 5.760 -3.083 -5.371) 8.457 11.619 ( -2.081 -4.300 0.329) 4.788 11.903 ( -5.584 -2.125 0.720) 6.018 12.092 ( -6.182 -2.308 4.468) 7.969 12.504 ( 1.808 2.531 1.594) 3.495 12.581 ( -0.569 -2.565 -0.709) 2.722 12.707 ( 3.043 -0.146 -11.769) 12.157 13.056 ( -6.890 -1.997 0.545) 7.194 13.432 ( 5.663 1.730 4.237) 7.282 13.606 ( -3.969 -0.370 -6.607) 7.716 13.837 ( 8.975 -2.693 3.388) 9.964 14.093 ( -4.767 -6.600 3.234) 8.761 14.156 ( -9.724 0.505 9.727) 13.763 14.456 ( -0.470 2.526 10.200) 10.519 14.687 ( 8.934 1.441 -8.355) 12.316 14.820 ( -0.424 -1.953 2.303) 3.050 15.326 ( 5.968 2.692 -0.071) 6.548 15.407 ( 8.145 -1.511 -0.595) 8.306 15.784 ( 2.194 2.005 -0.857) 3.093 15.900 ( -5.681 1.425 4.025) 7.107 16.263 ( 4.515 0.023 -6.643) 8.032 16.366 ( -4.289 1.260 5.359) 6.979 16.706 ( 3.461 -10.334 -1.848) 11.054 17.202 ( -7.981 -1.054 -9.862) 12.731 17.973 ( 5.886 0.248 10.949) 12.433 18.608 ( -13.029 2.762 1.406) 13.392 20.520 ( -1.640 -1.019 14.612) 14.739 21.245 ( 7.036 -1.850 -22.126) 23.291 23.074 ( 2.318 0.133 17.128) 17.285 23.593 ( 1.414 1.271 -4.109) 4.528 24.309 ( 1.710 3.665 0.205) 4.049 24.478 ( 0.730 -2.515 -4.859) 5.520 ======================= Grid point 302 (144/204) ======================= q-point: (-0.36 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 13.310 16.709 -1.961) 21.452 2.738 ( 2.038 24.704 -5.517) 25.394 2.994 ( -11.954 26.251 2.562) 28.958 3.479 ( 5.153 2.902 -16.434) 17.465 4.510 ( 0.864 -11.797 9.465) 15.149 4.794 ( 2.238 23.268 19.582) 30.494 5.008 ( -7.647 5.343 -2.835) 9.750 5.210 ( -5.995 -5.120 -6.542) 10.245 5.611 ( 5.735 6.734 9.637) 13.080 5.809 ( 3.110 6.504 6.550) 9.740 6.068 ( 1.301 0.767 -10.440) 10.549 6.240 ( -4.573 8.748 -10.608) 14.490 6.893 ( 4.483 -1.100 10.661) 11.618 7.248 ( -5.737 0.316 -5.084) 7.672 7.561 ( -1.807 4.523 1.893) 5.226 7.739 ( -7.545 -4.000 -4.340) 9.579 7.952 ( 1.544 -5.060 -4.345) 6.846 7.997 ( 8.846 -0.409 -5.448) 10.397 8.425 ( -0.031 -6.565 11.212) 12.993 8.734 ( 1.621 -6.398 -3.906) 7.669 8.778 ( 4.619 -1.778 16.175) 16.915 9.314 ( -2.132 -6.332 -3.187) 7.402 9.327 ( -0.938 0.151 -2.254) 2.446 9.518 ( 2.270 -11.380 0.084) 11.605 9.658 ( 0.094 -1.280 -2.743) 3.028 9.741 ( 0.390 -0.433 -5.773) 5.802 10.152 ( 3.123 -3.431 8.018) 9.263 10.261 ( -8.271 -4.375 6.428) 11.352 10.565 ( 3.601 1.845 1.334) 4.260 10.673 ( -6.417 3.885 -5.836) 9.504 10.793 ( -0.073 1.288 0.454) 1.368 11.049 ( 3.032 1.622 -0.961) 3.570 11.125 ( 4.157 -0.195 -11.276) 12.020 11.224 ( 3.833 -2.298 -11.849) 12.664 11.567 ( -8.070 -4.423 1.678) 9.355 11.704 ( 8.118 -5.122 -4.371) 10.547 11.928 ( 3.536 -2.620 3.828) 5.833 12.024 ( -4.603 -1.389 -0.670) 4.855 12.478 ( -2.535 3.826 4.071) 6.135 12.596 ( -3.152 -3.766 -0.535) 4.941 12.740 ( 6.934 1.001 -2.764) 7.532 12.945 ( -7.778 -3.608 -4.725) 9.789 13.456 ( -2.760 1.663 3.511) 4.766 13.540 ( -3.190 -1.206 0.070) 3.411 14.036 ( -3.023 -2.149 3.445) 5.062 14.057 ( 0.900 -5.319 0.761) 5.449 14.150 ( 6.420 -3.586 7.407) 10.437 14.404 ( -2.556 4.361 2.040) 5.451 14.800 ( 4.934 1.474 -2.058) 5.546 14.825 ( 2.184 -0.854 -1.931) 3.037 15.361 ( 1.077 4.477 2.119) 5.069 15.507 ( 4.531 0.366 -3.586) 5.790 15.710 ( -8.879 4.572 3.078) 10.451 15.803 ( -1.721 5.795 -0.053) 6.046 16.292 ( -2.514 -7.882 5.397) 9.878 16.423 ( 5.565 -2.382 -0.592) 6.083 16.861 ( 4.412 -11.213 -1.333) 12.124 17.038 ( -9.683 -4.273 -8.105) 13.331 18.183 ( 14.512 2.297 9.893) 17.713 18.402 ( -7.890 2.153 -2.159) 8.459 20.539 ( -5.110 -0.176 16.686) 17.451 21.285 ( 5.722 -3.608 -20.717) 21.793 23.164 ( -0.761 -1.000 16.193) 16.241 23.570 ( 0.050 1.998 -4.631) 5.044 24.290 ( 0.416 4.274 1.759) 4.641 24.466 ( -1.597 -1.061 -6.642) 6.913 ======================= Grid point 303 (145/204) ======================= q-point: (-0.27 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( -8.701 35.750 -10.411) 38.238 2.744 ( 13.822 18.096 -4.774) 23.266 2.896 ( 17.913 18.929 6.484) 26.856 3.503 ( 14.631 11.952 -18.292) 26.296 4.609 ( -5.752 7.851 9.815) 13.822 4.765 ( 3.401 11.663 17.694) 21.463 4.802 ( 0.687 9.497 7.849) 12.340 5.128 ( -4.067 -3.763 -10.054) 11.480 5.751 ( 14.182 6.975 9.219) 18.297 5.860 ( 4.034 1.368 9.213) 10.150 5.979 ( -2.791 5.392 -10.440) 12.077 6.142 ( 5.152 -2.162 -14.612) 15.644 7.022 ( 2.830 -5.253 7.060) 9.244 7.236 ( 2.361 -3.910 -2.795) 5.355 7.495 ( -0.230 3.959 2.793) 4.850 7.617 ( -9.665 -4.155 -2.545) 10.824 7.938 ( -2.921 1.255 -3.653) 4.843 8.143 ( 11.185 -1.681 -6.543) 13.067 8.554 ( 0.369 -8.192 9.001) 12.176 8.749 ( -6.855 -7.983 -5.764) 11.997 8.912 ( 3.472 -1.492 11.591) 12.192 9.198 ( -7.096 1.712 4.611) 8.634 9.415 ( 0.100 -6.699 -5.042) 8.385 9.554 ( 1.124 -0.407 -2.650) 2.907 9.723 ( 3.344 -1.023 -6.812) 7.657 9.793 ( 4.207 -5.081 -1.277) 6.719 10.153 ( -9.511 -3.568 -0.504) 10.171 10.344 ( 6.178 -9.804 10.143) 15.400 10.547 ( -3.745 1.206 2.971) 4.930 10.639 ( 6.347 1.183 0.253) 6.461 10.780 ( 0.926 2.669 -2.770) 3.957 11.096 ( 3.102 1.064 -3.166) 4.558 11.160 ( 4.540 -0.617 -9.723) 10.748 11.293 ( 7.362 -3.661 -10.136) 13.052 11.518 ( -0.921 -2.162 -1.380) 2.726 11.803 ( -3.732 -3.952 -2.070) 5.816 12.005 ( 6.432 -3.389 -2.829) 7.801 12.088 ( 7.083 -2.522 5.403) 9.258 12.369 ( -7.458 5.989 1.703) 9.716 12.559 ( -2.848 -3.023 2.912) 5.072 12.818 ( -6.764 -5.001 -0.674) 8.439 12.936 ( 10.282 -1.096 3.006) 10.769 13.392 ( -3.606 1.412 1.852) 4.293 13.497 ( -4.258 -2.156 -0.307) 4.783 13.956 ( -5.636 -0.573 4.153) 7.024 14.124 ( -0.811 -5.171 2.088) 5.635 14.308 ( 0.408 5.460 0.520) 5.500 14.429 ( 10.718 -4.453 0.886) 11.640 14.762 ( -1.249 1.981 -2.984) 3.793 14.923 ( 7.096 0.331 -2.790) 7.632 15.266 ( -6.436 6.495 0.503) 9.158 15.494 ( -10.064 1.851 0.893) 10.272 15.539 ( 1.669 6.825 -2.325) 7.401 15.713 ( -3.589 5.097 4.733) 7.826 16.316 ( -6.974 -9.239 0.314) 11.580 16.559 ( 5.622 -4.028 0.855) 6.969 16.922 ( -7.592 -7.889 -6.719) 12.846 17.090 ( 5.972 -15.136 3.608) 16.667 18.337 ( 4.158 0.196 -5.804) 7.142 18.445 ( 16.878 2.220 6.616) 18.264 20.493 ( -10.126 0.059 19.568) 22.032 21.336 ( 5.331 -5.947 -19.095) 20.698 23.170 ( -7.748 0.759 13.140) 15.273 23.533 ( 0.533 1.435 -3.721) 4.024 24.254 ( -0.857 4.385 3.262) 5.532 24.397 ( -2.724 1.492 -7.354) 7.983 ======================= Grid point 304 (146/204) ======================= q-point: (-0.18 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 1.690 22.482 -0.600) 22.554 2.733 ( 10.933 18.562 -12.652) 24.983 3.090 ( 23.800 18.170 8.219) 31.050 3.524 ( 14.826 20.465 -8.451) 26.647 4.433 ( -4.673 11.262 3.626) 12.721 4.710 ( 10.331 15.291 5.624) 19.292 4.815 ( -4.423 0.104 -5.208) 6.833 5.112 ( 5.019 10.216 6.574) 13.144 5.775 ( -1.158 6.225 -3.592) 7.280 6.016 ( 7.986 -10.959 7.581) 15.535 6.090 ( 18.439 4.924 8.030) 20.705 6.268 ( 9.799 -7.327 -10.239) 15.954 7.059 ( -3.960 -2.655 -7.622) 8.990 7.254 ( -10.629 -6.229 0.155) 12.320 7.475 ( 5.473 2.403 -3.408) 6.881 7.699 ( 10.746 -9.827 5.555) 15.586 7.857 ( -3.964 0.595 2.907) 4.951 8.321 ( 12.770 0.081 -6.663) 14.403 8.626 ( -4.570 -2.423 5.308) 7.411 8.674 ( -5.910 -10.314 -7.248) 13.923 9.017 ( 1.401 0.185 2.521) 2.890 9.073 ( -9.354 -1.363 7.667) 12.171 9.362 ( -5.334 0.473 -3.873) 6.609 9.594 ( 0.576 -3.364 -6.915) 7.711 9.762 ( 3.026 -0.779 1.154) 3.331 9.903 ( 5.637 -1.000 1.758) 5.989 10.072 ( -4.524 -6.201 -1.771) 7.877 10.506 ( 0.763 -0.633 2.891) 3.056 10.621 ( 5.540 -10.109 11.133) 16.025 10.732 ( 5.352 0.398 0.271) 5.374 10.752 ( 1.320 3.566 -4.272) 5.720 11.067 ( -1.238 1.521 -4.328) 4.751 11.203 ( 1.597 -3.119 -6.217) 7.136 11.437 ( 9.279 -2.767 -9.326) 13.443 11.553 ( 4.330 0.454 -3.795) 5.776 11.742 ( -2.577 -2.370 -1.048) 3.654 12.112 ( -1.694 3.234 -0.698) 3.717 12.172 ( -2.760 2.655 -3.852) 5.432 12.263 ( 5.769 -3.155 10.019) 11.984 12.624 ( -1.199 -5.528 4.506) 7.231 12.731 ( -5.186 -4.051 2.620) 7.083 13.131 ( 7.824 0.393 3.248) 8.480 13.323 ( -5.872 -1.331 2.351) 6.463 13.505 ( 4.790 -4.353 -5.995) 8.822 13.925 ( -0.387 -0.318 7.472) 7.489 14.140 ( -2.805 -0.412 1.512) 3.213 14.250 ( -0.863 4.081 -1.731) 4.516 14.529 ( 0.943 2.492 -1.497) 3.056 14.773 ( 5.362 1.939 -2.925) 6.408 15.003 ( -0.016 1.129 2.129) 2.410 15.084 ( -3.792 3.324 -4.837) 6.987 15.312 ( -9.700 1.221 2.850) 10.183 15.474 ( 0.833 8.910 -1.985) 9.166 15.642 ( -5.066 0.844 6.110) 7.982 16.290 ( -6.771 -9.234 -0.091) 11.451 16.605 ( -3.930 -2.693 -3.502) 5.913 16.929 ( 1.731 -6.615 -3.175) 7.539 17.305 ( -0.890 -15.487 1.035) 15.547 18.436 ( 9.557 3.354 -4.073) 10.916 18.806 ( 24.576 -10.610 -2.464) 26.881 20.373 ( -15.723 -0.034 22.718) 27.628 21.426 ( 5.793 -9.159 -15.574) 18.973 22.970 ( -17.109 7.334 5.761) 19.486 23.546 ( 1.934 -0.840 0.583) 2.187 24.202 ( -1.397 4.641 2.450) 5.431 24.311 ( -1.172 3.448 -4.428) 5.733 ======================= Grid point 305 (147/204) ======================= q-point: (-0.09 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 12.836 0.107 9.393) 15.906 2.659 ( 8.729 12.186 -15.263) 21.392 3.309 ( 17.454 17.271 14.277) 28.404 3.543 ( 15.212 18.017 -3.797) 23.884 4.277 ( -0.874 12.345 0.060) 12.376 4.700 ( -1.993 1.418 -13.152) 13.377 4.816 ( 15.883 12.423 -0.102) 20.165 5.097 ( 4.932 11.256 4.583) 13.116 5.725 ( 0.924 2.005 -0.995) 2.421 6.307 ( 8.016 -9.111 11.934) 17.020 6.375 ( 17.233 4.657 4.421) 18.391 6.473 ( 10.556 -6.570 -6.108) 13.853 6.941 ( -12.152 -5.520 -14.631) 19.804 7.090 ( -8.758 -7.909 -0.851) 11.831 7.630 ( 12.260 0.118 -1.454) 12.346 7.808 ( 0.471 2.291 5.354) 5.843 8.046 ( 10.756 -8.933 6.926) 15.604 8.452 ( 4.573 2.532 -7.850) 9.431 8.562 ( -2.375 -6.668 -8.377) 10.967 8.704 ( -0.638 -6.845 -0.280) 6.880 8.855 ( -8.818 4.995 0.955) 10.180 9.075 ( -4.463 -2.801 0.081) 5.270 9.285 ( -1.954 -1.034 1.456) 2.647 9.595 ( -0.703 -1.625 -3.277) 3.725 9.794 ( -0.762 -2.194 -1.406) 2.715 10.021 ( 5.783 -1.228 7.418) 9.485 10.133 ( 1.983 -7.291 5.091) 9.111 10.536 ( 1.741 0.731 2.897) 3.458 10.692 ( -1.538 3.307 -4.967) 6.162 10.800 ( 2.854 1.253 4.795) 5.719 10.855 ( 6.335 -6.904 5.812) 11.027 11.042 ( 1.574 -2.635 -4.652) 5.573 11.203 ( -2.047 -3.753 -8.092) 9.152 11.527 ( 3.036 -1.991 -3.033) 4.731 11.581 ( 0.827 1.678 0.330) 1.900 11.764 ( 0.218 4.201 -2.952) 5.139 11.974 ( 1.494 0.232 -4.212) 4.475 12.172 ( 1.878 2.508 -3.803) 4.927 12.385 ( -4.568 -0.964 13.468) 14.254 12.541 ( -4.686 -2.948 1.556) 5.750 12.827 ( 2.867 -4.070 0.418) 4.997 13.143 ( -4.062 1.463 0.323) 4.329 13.350 ( 5.071 -3.734 1.805) 6.551 13.588 ( 0.893 -3.209 -6.219) 7.055 14.039 ( -5.359 3.148 -1.507) 6.395 14.067 ( 6.487 0.261 8.140) 10.412 14.175 ( 0.644 0.298 0.458) 0.845 14.543 ( 4.094 1.979 -2.121) 5.018 14.759 ( 0.409 8.242 -0.005) 8.253 14.878 ( -4.519 4.021 2.316) 6.478 15.096 ( -1.483 -1.795 0.955) 2.517 15.201 ( -5.457 -1.496 -2.152) 6.054 15.412 ( 2.520 6.740 0.057) 7.196 15.570 ( -6.090 -0.619 5.010) 7.910 16.287 ( -5.775 -8.992 1.653) 10.814 16.514 ( -5.882 -1.179 -4.864) 7.723 17.006 ( 3.049 -0.773 -3.464) 4.679 17.391 ( -3.890 -13.843 -4.571) 15.089 18.493 ( 6.432 8.237 -1.501) 10.558 19.394 ( 28.629 -23.615 -13.044) 39.338 20.174 ( -21.423 0.167 25.414) 33.240 21.582 ( 6.632 -12.787 -9.104) 17.041 22.546 ( -22.803 14.379 0.097) 26.958 23.595 ( 1.280 -1.617 2.905) 3.562 24.150 ( 0.564 5.040 0.366) 5.085 24.259 ( 0.349 4.094 -0.399) 4.128 ======================= Grid point 311 (148/204) ======================= q-point: ( 0.45 -0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 15.663 0.000 16.574) 22.804 3.281 ( 3.151 0.000 -8.864) 9.408 3.343 ( -16.817 -0.000 3.148) 17.109 3.776 ( -14.192 -0.000 -7.017) 15.832 4.549 ( -15.516 -0.000 -5.497) 16.461 4.909 ( -2.544 -0.000 -5.615) 6.165 5.120 ( -5.618 -0.000 -0.150) 5.620 5.293 ( -0.356 -0.000 9.817) 9.823 5.778 ( -2.864 -0.000 0.493) 2.906 5.830 ( 1.861 0.000 -0.484) 1.923 6.129 ( -0.583 -0.000 7.219) 7.242 6.402 ( 15.693 0.000 3.639) 16.110 6.805 ( -4.898 -0.000 -1.801) 5.218 7.371 ( 0.895 0.000 -8.212) 8.261 7.695 ( -7.356 -0.000 1.651) 7.539 7.715 ( 4.902 0.000 -6.508) 8.148 7.877 ( -13.584 -0.000 5.939) 14.825 7.897 ( 4.476 0.000 -9.850) 10.820 8.343 ( 1.368 0.000 13.447) 13.516 8.525 ( 4.505 0.000 -3.436) 5.666 8.670 ( 8.141 0.000 12.603) 15.004 8.969 ( 9.960 0.000 3.871) 10.686 9.342 ( -3.818 -0.000 0.408) 3.839 9.423 ( -4.758 -0.000 -3.688) 6.020 9.653 ( -5.059 -0.000 -2.138) 5.492 9.876 ( -6.240 -0.000 -8.052) 10.187 10.156 ( -7.479 -0.000 5.774) 9.448 10.209 ( -3.399 -0.000 9.798) 10.371 10.590 ( 1.070 0.000 -3.341) 3.508 10.662 ( 8.616 0.000 -1.461) 8.739 10.953 ( -10.290 -0.000 0.122) 10.290 11.026 ( 5.217 0.000 -5.593) 7.648 11.201 ( -0.385 -0.000 -7.195) 7.206 11.281 ( -9.524 -0.000 -8.499) 12.765 11.531 ( 3.820 0.000 -5.136) 6.401 11.549 ( -2.147 -0.000 0.764) 2.279 11.878 ( -5.692 -0.000 1.228) 5.823 12.069 ( -4.111 -0.000 4.562) 6.141 12.527 ( 1.508 0.000 0.606) 1.625 12.553 ( -1.075 -0.000 -2.636) 2.847 12.705 ( 4.840 0.000 -11.914) 12.859 13.040 ( -7.336 -0.000 1.775) 7.548 13.450 ( 5.700 0.000 3.508) 6.693 13.605 ( -5.552 -0.000 -4.820) 7.353 13.811 ( 9.134 0.000 0.807) 9.169 14.005 ( -5.296 -0.000 2.022) 5.669 14.170 ( -9.138 -0.000 12.595) 15.561 14.482 ( 0.057 0.000 11.702) 11.702 14.702 ( 8.558 0.000 -8.985) 12.409 14.800 ( 0.212 0.000 2.595) 2.603 15.361 ( 5.747 0.000 0.709) 5.791 15.380 ( 9.168 0.000 -1.792) 9.341 15.802 ( 3.195 0.000 -0.026) 3.195 15.904 ( -6.151 -0.000 5.125) 8.007 16.277 ( 8.652 0.000 -6.054) 10.560 16.390 ( -14.840 -0.000 0.728) 14.857 16.591 ( 8.414 0.000 0.782) 8.450 17.192 ( -8.668 -0.000 -10.917) 13.940 17.976 ( 6.999 0.000 10.628) 12.725 18.637 ( -13.668 -0.000 1.610) 13.762 20.513 ( 0.128 0.000 12.785) 12.786 21.226 ( 6.555 0.000 -22.278) 23.222 23.075 ( 1.095 0.000 18.165) 18.198 23.606 ( 1.747 0.000 -4.712) 5.025 24.354 ( 2.249 0.000 -0.878) 2.414 24.443 ( 0.585 0.000 -3.160) 3.213 ======================= Grid point 313 (149/204) ======================= q-point: (-0.45 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 17.107 8.732 13.523) 23.490 3.140 ( 3.382 14.491 1.836) 14.994 3.355 ( 2.632 0.425 -6.764) 7.271 3.541 ( -4.249 8.781 -8.052) 12.649 4.314 ( -8.398 -4.765 -2.112) 9.884 4.781 ( -9.829 -13.921 -19.512) 25.906 5.114 ( 0.807 8.635 15.754) 17.983 5.264 ( -4.839 2.079 9.078) 10.496 5.748 ( 2.818 5.101 0.248) 5.833 5.906 ( 7.577 1.654 -2.143) 8.046 6.153 ( 3.389 6.260 6.008) 9.315 6.438 ( -3.147 7.502 -5.432) 9.783 6.861 ( 4.765 -2.094 7.879) 9.443 7.280 ( -7.805 1.901 -9.357) 12.332 7.568 ( -9.202 -3.877 2.119) 10.207 7.700 ( 0.486 2.314 -2.957) 3.786 7.805 ( -1.375 -6.446 1.238) 6.706 8.014 ( 9.949 0.274 -4.946) 11.114 8.354 ( -4.365 -0.827 7.989) 9.141 8.587 ( 0.376 -4.952 2.500) 5.560 8.862 ( 12.286 6.031 8.304) 16.009 9.201 ( 7.384 -5.449 -2.860) 9.612 9.272 ( -0.931 -6.175 1.439) 6.408 9.345 ( -3.932 -1.654 -5.226) 6.746 9.633 ( 1.780 -0.696 1.051) 2.181 9.762 ( -2.534 1.023 -7.449) 7.934 10.104 ( -3.191 -1.195 10.144) 10.701 10.188 ( -6.488 -2.282 8.906) 11.252 10.596 ( 2.024 0.712 -2.216) 3.084 10.741 ( -6.701 2.235 -7.279) 10.143 10.833 ( 5.657 1.835 4.022) 7.179 11.074 ( 3.276 1.034 -4.638) 5.772 11.138 ( 0.073 0.442 -8.382) 8.393 11.200 ( 4.246 0.017 -11.490) 12.249 11.486 ( -6.326 -2.964 1.322) 7.110 11.620 ( 6.999 -2.695 -4.827) 8.919 11.892 ( 3.929 -0.926 3.775) 5.527 11.998 ( -5.453 -0.862 -0.749) 5.571 12.524 ( -1.497 0.616 0.800) 1.806 12.539 ( -1.754 -1.383 1.302) 2.586 12.766 ( 7.043 1.205 -4.828) 8.623 12.895 ( -8.833 -1.423 -4.287) 9.921 13.484 ( -3.876 1.373 2.896) 5.030 13.513 ( -4.322 -1.457 1.775) 4.894 13.945 ( -5.089 -3.790 -0.452) 6.361 13.984 ( 8.317 -1.791 -1.072) 8.575 14.139 ( 1.087 0.404 13.580) 13.629 14.466 ( -2.775 1.625 3.354) 4.646 14.802 ( -1.101 -0.365 0.738) 1.375 14.828 ( 8.924 0.389 -4.253) 9.893 15.413 ( 0.621 1.135 0.444) 1.368 15.502 ( 5.320 -0.446 -3.011) 6.130 15.796 ( -5.588 3.683 4.895) 8.292 15.849 ( -1.661 -0.651 3.728) 4.133 16.196 ( -8.548 -2.049 1.186) 8.870 16.394 ( 7.212 -0.567 -3.832) 8.186 16.715 ( 4.478 -3.565 1.989) 6.059 16.986 ( -10.524 -1.293 -10.091) 14.638 18.218 ( 16.203 1.043 9.856) 18.994 18.433 ( -9.723 0.827 -2.075) 9.976 20.550 ( -2.491 0.616 13.120) 13.368 21.233 ( 4.863 -1.441 -21.529) 22.118 23.150 ( -1.161 -0.345 17.743) 17.785 23.598 ( 0.203 0.750 -5.399) 5.455 24.358 ( 0.311 2.533 0.037) 2.552 24.435 ( -1.194 -1.707 -3.747) 4.287 ======================= Grid point 314 (150/204) ======================= q-point: (-0.36 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -7.344 30.252 -15.314) 34.694 3.087 ( 12.815 15.250 0.410) 19.924 3.264 ( 16.930 17.654 7.502) 25.585 3.643 ( 18.310 2.257 -9.660) 20.824 4.394 ( -3.498 -17.683 8.791) 20.055 4.774 ( 0.404 -14.049 -8.284) 16.314 5.072 ( 0.203 13.571 14.069) 19.548 5.164 ( -5.930 7.447 5.947) 11.225 5.754 ( 0.954 0.345 -0.363) 1.078 6.014 ( 8.913 2.069 -4.677) 10.276 6.138 ( 5.472 13.231 3.881) 14.834 6.284 ( 1.777 12.618 -7.635) 14.855 6.947 ( -0.068 -2.541 10.462) 10.766 7.142 ( -6.504 -6.853 -6.088) 11.240 7.475 ( -6.025 -2.032 3.086) 7.068 7.642 ( -3.038 4.110 -1.685) 5.382 7.895 ( 0.582 -5.068 -1.809) 5.413 8.139 ( 10.517 0.817 -7.198) 12.771 8.355 ( -4.572 -10.161 7.123) 13.225 8.624 ( -2.802 -3.637 1.261) 4.761 8.995 ( 8.483 7.959 7.898) 14.060 9.193 ( -2.649 -2.789 -1.666) 4.192 9.293 ( 0.115 -3.498 -7.726) 8.482 9.501 ( 5.602 -6.321 -1.732) 8.622 9.705 ( 7.981 -1.682 -1.552) 8.302 9.728 ( 1.510 0.183 -3.949) 4.232 10.109 ( -8.377 -1.328 3.866) 9.321 10.167 ( 0.138 -6.748 13.526) 15.117 10.574 ( -5.751 1.468 -1.390) 6.096 10.634 ( 3.095 -1.074 -2.784) 4.299 10.891 ( 3.000 6.429 2.919) 7.672 11.097 ( 3.474 0.855 -2.609) 4.428 11.191 ( 5.304 1.774 -9.777) 11.263 11.220 ( 5.771 -3.458 -10.149) 12.176 11.481 ( 4.496 -1.339 -3.692) 5.969 11.718 ( -0.109 -4.259 -2.971) 5.194 11.947 ( 3.322 -1.930 -1.321) 4.063 12.031 ( 6.032 -3.096 4.317) 8.038 12.460 ( -6.467 2.188 0.432) 6.841 12.518 ( -2.910 -0.848 3.555) 4.672 12.737 ( -6.741 -2.394 -3.125) 7.806 12.922 ( 9.733 -0.370 2.404) 10.032 13.411 ( -4.298 0.420 1.205) 4.484 13.451 ( -6.521 -2.185 2.335) 7.263 13.908 ( -3.695 -3.205 -0.078) 4.892 14.046 ( -1.536 -2.852 4.936) 5.904 14.329 ( 11.878 -2.087 4.739) 12.957 14.418 ( -0.936 2.556 0.961) 2.886 14.780 ( -1.001 0.328 -2.281) 2.513 14.931 ( 6.271 0.203 -3.491) 7.180 15.348 ( -6.319 2.091 -1.209) 6.765 15.507 ( -4.855 -0.410 -2.916) 5.678 15.663 ( -4.600 5.841 4.292) 8.584 15.808 ( -4.964 3.418 5.827) 8.383 16.152 ( -4.673 -6.467 -1.768) 8.172 16.494 ( 5.645 -2.256 -1.765) 6.330 16.816 ( -4.270 -3.266 -2.407) 5.890 16.873 ( 2.653 -6.976 2.431) 7.849 18.332 ( 0.893 -0.235 -6.926) 6.988 18.506 ( 16.497 2.826 8.102) 18.596 20.518 ( -7.178 1.780 14.676) 16.434 21.240 ( 4.210 -3.610 -21.468) 22.173 23.181 ( -4.413 0.428 16.559) 17.142 23.558 ( -0.764 0.968 -5.989) 6.115 24.324 ( -1.528 2.829 1.507) 3.551 24.400 ( -2.577 -0.831 -4.387) 5.155 ======================= Grid point 315 (151/204) ======================= q-point: (-0.27 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -6.477 30.729 -12.918) 33.957 3.130 ( 12.597 18.921 -7.443) 23.918 3.460 ( 23.950 18.758 8.054) 31.470 3.855 ( 19.141 11.534 -8.859) 24.040 4.465 ( -7.698 -8.376 5.666) 12.709 4.891 ( -9.016 10.530 1.644) 13.959 4.915 ( 4.589 1.912 5.538) 7.442 5.176 ( 9.469 -0.744 9.344) 13.324 5.756 ( -3.660 -4.120 0.815) 5.571 6.046 ( 4.214 3.401 -6.346) 8.343 6.158 ( 5.139 1.810 -8.555) 10.143 6.290 ( 19.015 15.235 9.681) 26.218 6.980 ( -6.944 -8.840 -10.916) 15.669 7.118 ( -6.210 -5.900 6.691) 10.869 7.528 ( 6.940 -4.145 8.849) 11.986 7.549 ( 1.656 3.423 -3.852) 5.413 7.862 ( -4.999 -0.525 -0.808) 5.091 8.306 ( 12.064 -1.501 -4.670) 13.023 8.436 ( -3.599 -13.111 -0.905) 13.626 8.597 ( -2.021 -0.094 1.273) 2.390 9.050 ( 0.687 2.986 4.729) 5.635 9.133 ( -0.745 6.144 -0.984) 6.267 9.316 ( -1.573 -5.012 -6.793) 8.587 9.554 ( 1.487 -0.784 -4.290) 4.607 9.749 ( 1.613 0.114 2.083) 2.637 9.884 ( 9.665 -1.827 -1.476) 9.946 10.009 ( -3.927 0.066 -0.949) 4.041 10.361 ( 5.266 -11.813 10.546) 16.688 10.522 ( -1.163 -1.175 4.293) 4.600 10.693 ( 2.976 -2.101 -3.012) 4.727 10.866 ( 1.128 5.125 0.557) 5.277 11.082 ( -3.752 0.717 -0.226) 3.826 11.187 ( 3.010 0.888 -7.417) 8.054 11.373 ( 9.349 -3.350 -9.321) 13.620 11.578 ( 8.821 2.096 -6.835) 11.354 11.704 ( 0.761 -1.502 -1.476) 2.239 12.087 ( 7.536 -3.021 -1.235) 8.212 12.195 ( 6.595 -3.897 7.427) 10.669 12.276 ( -10.592 5.006 -0.607) 11.731 12.524 ( -0.548 -3.658 4.938) 6.169 12.651 ( -7.635 -4.117 0.446) 8.686 13.121 ( 8.877 -0.794 9.256) 12.849 13.313 ( -5.356 -0.051 -0.972) 5.444 13.432 ( 0.970 -3.032 -5.583) 6.426 13.892 ( -2.122 -2.369 2.948) 4.336 14.075 ( -1.781 -4.644 4.889) 6.974 14.349 ( -2.206 4.687 1.092) 5.294 14.545 ( 7.039 -1.055 3.202) 7.805 14.765 ( 2.730 -0.937 -8.319) 8.805 14.998 ( 3.180 -0.440 -1.559) 3.569 15.178 ( -9.230 3.840 -2.965) 10.428 15.348 ( -10.705 2.013 1.680) 11.021 15.597 ( -2.275 1.245 -0.676) 2.680 15.683 ( -7.822 5.048 8.392) 12.534 16.127 ( -4.525 -6.133 -2.657) 8.072 16.560 ( -1.002 -1.679 -1.804) 2.660 16.825 ( 5.085 -4.740 -3.097) 7.610 17.039 ( 1.295 -10.086 6.209) 11.914 18.429 ( 13.235 -2.629 -9.348) 16.415 18.745 ( 13.284 1.897 5.648) 14.559 20.407 ( -12.031 2.609 16.795) 20.824 21.271 ( 4.707 -6.329 -20.459) 21.927 23.099 ( -10.382 5.734 11.250) 16.347 23.530 ( 0.472 -0.911 -3.307) 3.463 24.270 ( -2.685 2.421 1.885) 4.078 24.343 ( -2.349 0.230 -3.328) 4.080 ======================= Grid point 316 (152/204) ======================= q-point: (-0.18 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 3.024 18.531 -2.762) 18.978 3.033 ( 7.149 22.732 -12.175) 26.760 3.675 ( 18.319 19.191 12.432) 29.299 3.922 ( 11.644 18.647 -2.577) 22.134 4.392 ( -7.109 -0.399 3.224) 7.816 4.679 ( -7.492 2.615 -5.933) 9.908 5.009 ( 11.286 4.731 -1.539) 12.334 5.331 ( 5.973 8.091 8.643) 13.260 5.729 ( -1.394 -2.593 -2.831) 4.085 6.165 ( 10.571 -4.248 4.184) 12.137 6.273 ( 6.663 -10.007 -7.255) 14.042 6.517 ( 16.854 8.398 7.306) 20.198 6.832 ( -14.747 -8.614 -7.463) 18.638 7.025 ( -6.232 2.104 -4.919) 8.213 7.635 ( 12.080 0.217 -3.823) 12.673 7.805 ( -3.095 -1.787 4.004) 5.367 7.838 ( 13.733 -9.468 11.022) 19.993 8.417 ( -6.290 -5.540 -9.103) 12.374 8.491 ( 7.797 -3.221 -2.281) 8.739 8.627 ( 4.750 -1.373 -0.652) 4.988 8.927 ( -9.219 4.137 1.590) 10.229 9.127 ( 5.260 7.188 -3.530) 9.581 9.269 ( -4.011 -1.091 -1.221) 4.332 9.564 ( 1.088 -1.028 -3.783) 4.068 9.759 ( -2.160 -0.766 -0.989) 2.496 10.000 ( 2.026 -3.739 2.595) 4.982 10.049 ( 8.540 1.521 5.858) 10.467 10.521 ( 1.282 -2.454 2.648) 3.831 10.644 ( 3.795 -7.463 5.584) 10.064 10.749 ( 4.112 -3.611 1.420) 5.654 10.853 ( 2.470 2.236 -0.334) 3.349 10.996 ( -5.288 0.147 -3.401) 6.289 11.173 ( -0.778 -0.326 -6.660) 6.713 11.469 ( 2.661 -3.458 -2.702) 5.132 11.632 ( 4.298 3.245 -4.451) 6.987 11.824 ( 12.846 2.613 -2.371) 13.322 12.044 ( -8.293 5.569 -0.965) 10.036 12.187 ( 3.140 -0.918 -3.582) 4.851 12.344 ( 1.109 -2.630 11.812) 12.151 12.497 ( -8.818 -1.790 3.001) 9.485 12.697 ( 4.338 -8.220 3.425) 9.905 13.161 ( -4.865 -0.477 5.880) 7.647 13.331 ( 5.347 1.900 -5.628) 7.992 13.493 ( 4.137 -5.778 -5.933) 9.257 13.936 ( 1.138 -5.307 5.661) 7.842 14.113 ( -0.627 -2.829 3.441) 4.499 14.240 ( -4.789 5.756 0.384) 7.498 14.605 ( 3.417 3.620 -1.865) 5.316 14.809 ( 1.598 -3.079 -7.367) 8.143 14.958 ( -7.354 3.767 6.194) 10.326 15.063 ( 0.272 -0.648 -3.364) 3.437 15.190 ( -7.146 0.569 0.637) 7.197 15.531 ( -4.163 -0.093 -2.782) 5.008 15.566 ( -5.270 4.106 9.951) 11.986 16.122 ( -2.865 -6.386 0.031) 6.999 16.518 ( -1.828 1.569 -2.453) 3.438 16.977 ( 8.005 -3.591 -3.436) 9.422 17.132 ( -3.743 -10.496 0.550) 11.157 18.623 ( 10.620 4.288 -3.850) 12.083 19.032 ( 18.629 -12.031 -1.780) 22.247 20.224 ( -15.714 3.558 17.775) 23.991 21.357 ( 6.016 -9.602 -16.628) 20.122 22.818 ( -16.532 13.296 4.173) 21.621 23.562 ( 1.647 -2.157 0.676) 2.797 24.216 ( -1.913 1.850 1.346) 2.982 24.302 ( -1.176 0.434 -1.339) 1.834 ======================= Grid point 317 (153/204) ======================= q-point: (-0.09 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 11.604 1.462 8.278) 14.329 2.886 ( 6.713 16.778 -8.269) 19.873 3.686 ( -1.289 15.112 12.945) 19.940 3.884 ( 7.233 17.964 -8.325) 21.079 4.335 ( 0.042 1.249 4.558) 4.726 4.594 ( 1.181 -3.563 -7.176) 8.099 5.141 ( 11.096 4.239 -4.397) 12.666 5.274 ( -1.420 13.480 4.116) 14.166 5.786 ( 6.227 -0.611 -1.077) 6.349 6.345 ( -8.929 -7.640 -13.542) 17.930 6.382 ( 4.926 -6.920 3.111) 9.046 6.699 ( 9.940 6.159 4.710) 12.607 6.746 ( 0.602 -4.469 4.046) 6.059 6.938 ( -1.014 -7.648 -8.341) 11.362 7.812 ( 7.597 -1.992 3.455) 8.580 7.853 ( 5.299 -0.236 1.829) 5.610 8.124 ( 2.871 -5.093 8.882) 10.633 8.290 ( -2.057 -0.742 -18.360) 18.490 8.638 ( 2.262 -8.539 2.991) 9.326 8.730 ( 9.965 5.781 -5.060) 12.583 8.772 ( -5.265 0.247 4.054) 6.649 9.054 ( -0.822 8.145 -6.808) 10.647 9.256 ( -0.674 -1.072 2.425) 2.736 9.582 ( 2.575 0.119 -3.639) 4.460 9.710 ( -4.945 -3.256 -0.964) 5.999 10.114 ( 5.084 -3.468 6.756) 9.138 10.205 ( 6.395 -0.603 11.076) 12.804 10.549 ( -0.606 -1.694 -0.248) 1.816 10.667 ( -1.163 0.547 -2.194) 2.543 10.826 ( -5.369 2.093 4.096) 7.070 10.931 ( 4.394 -3.777 -4.886) 7.580 10.981 ( 5.102 -5.189 3.122) 7.919 11.147 ( 0.919 -3.105 -4.891) 5.866 11.514 ( -0.784 -0.838 0.886) 1.449 11.615 ( -0.807 3.587 1.014) 3.814 11.842 ( 2.311 6.897 -5.279) 8.987 12.045 ( 7.716 1.518 -3.561) 8.633 12.229 ( 3.856 0.268 -1.239) 4.059 12.253 ( -13.021 1.102 9.003) 15.869 12.518 ( 1.711 -4.828 6.080) 7.950 12.816 ( 1.700 -3.253 -0.763) 3.749 13.119 ( -0.968 2.627 -1.824) 3.342 13.352 ( -0.871 -4.664 -2.529) 5.376 13.570 ( 2.696 -0.819 -1.890) 3.393 13.948 ( -7.113 2.186 -2.731) 7.927 14.150 ( 3.285 0.586 2.736) 4.315 14.217 ( 3.737 -6.558 3.916) 8.504 14.573 ( -1.865 3.712 -2.720) 4.965 14.766 ( -5.459 -1.964 -4.192) 7.157 14.900 ( -2.186 1.129 5.468) 5.996 15.066 ( 0.956 0.504 -0.226) 1.104 15.112 ( -1.859 0.959 1.217) 2.420 15.472 ( -2.767 -2.028 0.015) 3.430 15.517 ( -0.615 3.899 7.280) 8.281 16.157 ( -0.916 -4.892 2.451) 5.548 16.465 ( -0.558 3.330 -1.448) 3.674 17.069 ( 2.970 3.711 -1.862) 5.105 17.171 ( -1.952 -14.165 -10.349) 17.651 18.654 ( 3.468 6.965 -0.330) 7.788 19.498 ( 13.481 -19.249 1.762) 23.566 20.008 ( -9.763 4.269 9.081) 14.000 21.523 ( 7.400 -13.252 -9.606) 17.963 22.368 ( -19.610 19.055 -0.241) 27.344 23.610 ( 0.902 -1.194 2.457) 2.876 24.189 ( -0.141 1.237 1.005) 1.600 24.287 ( 0.469 0.634 -0.694) 1.050 ======================= Grid point 324 (154/204) ======================= q-point: (-0.45 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 12.200 0.000 -0.348) 12.205 3.324 ( -6.180 -0.000 -16.540) 17.657 3.513 ( 20.536 0.000 13.704) 24.689 3.617 ( 15.084 0.000 -7.779) 16.972 4.143 ( -4.786 -0.000 6.436) 8.020 4.587 ( 3.898 0.000 -10.272) 10.986 5.217 ( -1.489 -0.000 13.127) 13.211 5.237 ( -4.045 -0.000 7.589) 8.599 5.765 ( -1.395 -0.000 -1.870) 2.333 6.026 ( 7.244 0.000 -9.564) 11.997 6.353 ( 11.338 0.000 9.832) 15.007 6.391 ( -4.098 -0.000 -5.315) 6.711 6.925 ( 0.101 0.000 13.207) 13.208 7.034 ( -16.462 -0.000 -13.888) 21.538 7.472 ( -0.906 -0.000 3.662) 3.773 7.701 ( -4.806 -0.000 1.817) 5.138 7.814 ( 7.072 0.000 -2.640) 7.549 8.137 ( 6.009 0.000 -0.036) 6.009 8.250 ( -6.846 -0.000 0.123) 6.847 8.592 ( 1.488 0.000 2.481) 2.893 9.130 ( -3.141 -0.000 -3.043) 4.374 9.139 ( 10.106 0.000 7.918) 12.839 9.276 ( -0.039 -0.000 -10.908) 10.908 9.380 ( 12.770 0.000 -2.999) 13.118 9.692 ( 3.897 0.000 4.641) 6.060 9.736 ( 2.879 0.000 -6.671) 7.266 10.087 ( -2.721 -0.000 11.107) 11.436 10.108 ( -6.955 -0.000 9.142) 11.487 10.592 ( -7.279 -0.000 -3.492) 8.073 10.620 ( 2.530 0.000 -2.524) 3.574 10.963 ( 0.818 0.000 3.730) 3.818 11.131 ( 2.686 0.000 -2.633) 3.762 11.162 ( 11.516 0.000 -12.015) 16.642 11.212 ( 0.983 0.000 -6.934) 7.003 11.470 ( 8.432 0.000 -4.831) 9.718 11.666 ( 1.190 0.000 -3.464) 3.663 11.931 ( 1.444 0.000 -2.720) 3.079 11.992 ( 5.594 0.000 5.697) 7.984 12.467 ( -5.766 -0.000 0.827) 5.825 12.516 ( -2.466 -0.000 2.707) 3.662 12.722 ( -8.295 -0.000 -5.062) 9.718 12.919 ( 10.695 0.000 3.226) 11.171 13.410 ( -4.422 -0.000 2.322) 4.995 13.431 ( -7.623 -0.000 2.111) 7.909 13.871 ( -1.891 -0.000 -1.102) 2.189 14.015 ( -2.261 -0.000 4.805) 5.310 14.307 ( 11.702 0.000 5.836) 13.077 14.447 ( -1.854 -0.000 1.869) 2.633 14.783 ( -0.829 -0.000 -1.473) 1.690 14.932 ( 5.954 0.000 -4.004) 7.175 15.367 ( -6.199 -0.000 -1.574) 6.396 15.499 ( -3.866 -0.000 -3.700) 5.351 15.732 ( -7.802 -0.000 3.953) 8.746 15.839 ( -3.760 -0.000 8.507) 9.301 16.084 ( -2.681 -0.000 -2.566) 3.711 16.473 ( 4.526 0.000 -3.377) 5.646 16.789 ( 4.515 0.000 9.468) 10.490 16.802 ( -5.959 -0.000 -8.378) 10.281 18.330 ( -0.391 -0.000 -6.952) 6.963 18.536 ( 16.816 0.000 8.162) 18.692 20.540 ( -6.232 -0.000 12.884) 14.312 21.202 ( 3.714 0.000 -21.938) 22.250 23.186 ( -3.182 -0.000 17.719) 18.002 23.568 ( -1.227 -0.000 -6.822) 6.931 24.364 ( -1.429 -0.000 0.272) 1.454 24.378 ( -2.938 -0.000 -2.759) 4.030 ======================= Grid point 326 (155/204) ======================= q-point: (-0.36 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( -12.195 20.689 -20.765) 31.748 3.371 ( 11.269 3.800 -8.779) 14.782 3.788 ( 21.665 11.508 4.572) 24.954 3.936 ( 18.656 -1.992 -6.493) 19.854 4.295 ( 8.501 -4.461 21.057) 23.142 4.771 ( 11.887 -8.934 1.899) 14.991 5.130 ( -9.308 8.640 5.500) 13.840 5.205 ( -1.471 1.646 6.581) 6.941 5.721 ( -3.819 -0.330 1.385) 4.076 6.026 ( -1.976 -0.356 -6.466) 6.770 6.287 ( -0.154 5.769 -6.796) 8.916 6.547 ( 8.264 4.446 -1.057) 9.443 6.773 ( -9.083 -5.512 -4.668) 11.605 7.037 ( 5.059 -2.802 10.197) 11.723 7.501 ( 3.214 0.833 5.275) 6.232 7.623 ( -1.406 3.005 -1.539) 3.657 7.855 ( -2.347 -0.030 -2.525) 3.448 8.166 ( -5.216 -9.522 7.037) 12.939 8.306 ( 11.879 -0.659 -6.982) 13.795 8.616 ( 1.119 1.151 -1.224) 2.019 9.101 ( 0.236 1.936 -2.530) 3.195 9.207 ( -0.819 -4.521 -5.118) 6.878 9.280 ( 6.292 6.651 -3.775) 9.903 9.533 ( 4.565 -1.699 -5.473) 7.326 9.778 ( 5.058 2.683 2.078) 6.091 9.838 ( 9.858 -2.630 -0.001) 10.202 10.040 ( -1.854 2.445 4.893) 5.776 10.149 ( 0.274 -8.127 11.719) 14.264 10.508 ( -2.401 -0.336 0.482) 2.472 10.661 ( 3.058 -0.905 -2.602) 4.116 10.932 ( -2.581 1.545 -0.009) 3.008 11.100 ( -3.923 0.552 0.978) 4.080 11.226 ( 4.371 2.974 -5.524) 7.646 11.307 ( 6.412 -3.314 -9.033) 11.563 11.633 ( 10.929 3.033 -6.431) 13.038 11.678 ( 7.828 -1.422 -3.422) 8.661 12.041 ( 9.794 -1.209 -0.411) 9.877 12.112 ( 4.859 -3.286 6.506) 8.760 12.336 ( -10.476 1.057 1.136) 10.590 12.485 ( -2.766 -0.710 3.467) 4.492 12.589 ( -7.333 -1.607 -2.343) 7.864 13.117 ( 7.676 0.194 12.157) 14.379 13.316 ( -3.455 0.332 -2.959) 4.561 13.384 ( -0.178 -1.648 -3.088) 3.504 13.855 ( -0.983 -0.999 0.578) 1.516 13.991 ( -4.329 -2.894 5.681) 7.707 14.416 ( -2.296 1.825 2.468) 3.834 14.515 ( 10.186 -1.138 4.821) 11.326 14.758 ( -0.220 -0.008 -7.155) 7.158 14.990 ( 2.978 -0.283 -3.066) 4.283 15.222 ( -9.568 0.955 -2.604) 9.961 15.371 ( -9.213 0.312 -2.897) 9.663 15.593 ( -10.000 -0.343 3.054) 10.462 15.771 ( -7.030 2.529 7.488) 10.578 16.058 ( -0.852 -1.292 -3.375) 3.713 16.538 ( 3.169 -0.577 1.874) 3.727 16.741 ( 1.779 -2.800 -8.553) 9.174 16.923 ( 4.092 -2.317 11.643) 12.557 18.388 ( 11.845 -1.151 -9.796) 15.414 18.790 ( 11.174 1.528 6.442) 12.988 20.451 ( -10.681 1.421 13.779) 17.492 21.183 ( 4.120 -2.403 -22.159) 22.666 23.186 ( -4.810 2.597 16.218) 17.114 23.511 ( -1.804 -0.759 -7.761) 8.004 24.304 ( -3.765 1.111 -0.702) 3.987 24.336 ( -2.940 -0.643 -0.312) 3.026 ======================= Grid point 327 (156/204) ======================= q-point: (-0.27 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -6.918 20.231 -14.955) 26.092 3.406 ( 7.544 11.050 -13.205) 18.798 4.022 ( 15.396 11.729 8.464) 21.124 4.139 ( 11.028 5.301 -2.156) 12.424 4.468 ( 4.743 12.442 11.557) 17.631 4.831 ( -11.180 10.184 0.866) 15.148 5.020 ( 5.909 -2.868 3.917) 7.648 5.317 ( 9.522 -7.770 7.200) 14.244 5.662 ( -7.412 -3.152 3.269) 8.693 6.017 ( -0.079 -7.648 -1.836) 7.866 6.235 ( 3.393 1.798 -9.219) 9.987 6.474 ( -12.002 -13.181 -11.481) 21.204 6.858 ( 14.451 12.661 10.851) 22.065 7.081 ( -3.807 2.308 -4.674) 6.455 7.619 ( 7.998 -2.759 -1.494) 8.592 7.715 ( 13.098 -1.881 10.044) 16.613 7.787 ( -2.319 0.053 0.196) 2.328 8.235 ( -2.660 -11.201 2.049) 11.693 8.467 ( 8.086 0.509 -5.088) 9.567 8.610 ( 2.391 -0.374 -5.386) 5.905 9.036 ( -0.891 5.710 -5.212) 7.782 9.226 ( 0.056 -3.020 -8.309) 8.841 9.277 ( 3.567 6.192 -1.128) 7.234 9.559 ( 1.574 0.255 -1.535) 2.213 9.808 ( 0.286 6.725 4.367) 8.024 9.941 ( 3.713 -1.639 1.847) 4.459 10.107 ( 9.379 3.106 1.060) 9.937 10.365 ( 5.388 -13.996 8.325) 17.153 10.524 ( 1.467 -2.360 4.169) 5.011 10.702 ( 1.658 -1.468 -2.256) 3.161 10.882 ( -0.537 0.997 -2.625) 2.858 11.034 ( -2.848 2.258 0.024) 3.634 11.185 ( -3.207 1.777 -4.525) 5.824 11.391 ( 3.277 -4.399 -1.579) 5.708 11.704 ( 5.938 3.635 -5.684) 8.988 11.888 ( 17.522 3.612 -2.813) 18.110 12.133 ( -10.081 1.278 -0.037) 10.161 12.163 ( 2.137 0.639 3.112) 3.829 12.284 ( 5.018 -3.595 6.479) 8.949 12.464 ( -7.303 -1.380 1.965) 7.688 12.542 ( 3.036 -6.408 2.877) 7.652 13.140 ( -5.398 -1.017 6.679) 8.648 13.371 ( 0.054 -1.159 -13.591) 13.640 13.413 ( 11.267 0.922 3.326) 11.784 13.862 ( -0.581 -1.981 3.476) 4.043 14.007 ( -2.019 -6.746 5.257) 8.787 14.341 ( -5.226 3.953 3.041) 7.224 14.663 ( 3.280 1.932 0.439) 3.832 14.727 ( 1.138 -3.744 -10.099) 10.831 14.987 ( -5.137 0.058 3.339) 6.127 15.066 ( -4.571 0.071 -2.510) 5.215 15.212 ( -6.977 1.138 -2.915) 7.647 15.476 ( -8.206 -2.916 4.818) 9.953 15.655 ( -6.153 3.121 4.836) 8.425 16.053 ( 0.217 -1.157 -0.950) 1.513 16.567 ( 1.536 3.062 1.377) 3.693 16.831 ( 5.016 -8.326 -10.737) 14.483 17.038 ( 2.581 -1.319 10.069) 10.477 18.644 ( 20.373 -1.354 -7.248) 21.666 18.918 ( 4.755 -0.983 3.690) 6.098 20.289 ( -13.978 2.682 14.468) 20.296 21.211 ( 5.849 -5.141 -20.315) 21.757 23.066 ( -8.901 11.452 8.528) 16.825 23.497 ( 0.256 -4.508 -3.305) 5.596 24.233 ( -3.819 0.174 0.038) 3.823 24.294 ( -2.934 -0.747 0.436) 3.059 ======================= Grid point 328 (157/204) ======================= q-point: (-0.18 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 1.760 10.264 -2.610) 10.736 3.284 ( 3.101 19.546 -11.364) 22.821 3.966 ( -14.758 10.204 7.525) 19.456 4.175 ( 3.862 10.042 -0.414) 10.767 4.405 ( 4.296 13.689 4.724) 15.105 4.649 ( 2.414 6.804 -0.904) 7.276 5.150 ( 4.305 -1.374 3.909) 5.975 5.454 ( -8.859 2.395 0.826) 9.214 5.677 ( 7.955 -10.084 0.365) 12.849 6.137 ( 2.353 -10.285 -9.841) 14.428 6.292 ( 4.775 -6.720 -7.987) 11.479 6.454 ( -4.513 -14.939 10.206) 18.647 6.896 ( -5.384 4.501 -6.784) 9.761 6.976 ( 7.779 12.694 0.645) 14.902 7.743 ( 0.444 -3.453 4.653) 5.811 7.836 ( 11.275 -2.653 -3.200) 12.017 8.046 ( 13.565 -1.711 10.207) 17.062 8.288 ( -0.142 -3.128 -5.331) 6.183 8.493 ( 1.157 -2.950 -5.504) 6.351 8.685 ( 4.034 -2.972 -0.340) 5.023 8.941 ( 1.478 8.504 -6.799) 10.988 9.175 ( -2.805 1.808 -6.778) 7.555 9.274 ( 2.026 3.013 -2.042) 4.166 9.601 ( 5.379 1.830 0.690) 5.723 9.714 ( -4.230 5.415 2.283) 7.240 10.063 ( 6.004 -1.856 5.828) 8.571 10.229 ( 7.696 2.360 4.970) 9.460 10.505 ( -1.034 -3.628 1.091) 3.927 10.630 ( 0.013 -4.270 4.046) 5.882 10.773 ( 4.631 -6.898 2.677) 8.729 10.882 ( 1.090 0.798 -7.751) 7.868 10.988 ( 4.766 3.854 2.263) 6.534 11.101 ( -4.086 -1.140 -3.081) 5.243 11.475 ( 1.707 -3.064 1.477) 3.806 11.688 ( -0.578 3.921 -2.431) 4.649 11.953 ( -6.588 3.029 -1.753) 7.460 12.086 ( 8.144 3.371 3.509) 9.486 12.226 ( 5.606 -0.208 0.350) 5.621 12.290 ( -8.274 1.886 2.387) 8.815 12.428 ( 1.071 -4.107 6.631) 7.873 12.733 ( 8.174 -4.814 0.273) 9.490 13.131 ( 0.064 -1.368 4.212) 4.429 13.289 ( -2.838 -1.772 -16.827) 17.156 13.562 ( 5.827 0.830 2.669) 6.463 13.908 ( -0.372 -4.286 1.607) 4.592 14.093 ( 2.232 -5.605 3.683) 7.068 14.209 ( -6.729 3.416 4.145) 8.611 14.609 ( -3.898 -2.022 -8.874) 9.901 14.700 ( -5.875 -0.904 -3.990) 7.159 14.903 ( -8.457 -1.027 4.966) 9.861 15.091 ( 7.030 -0.162 3.387) 7.805 15.120 ( -2.931 1.158 -0.425) 3.180 15.428 ( -3.244 -2.227 4.487) 5.968 15.571 ( -3.557 1.576 4.174) 5.706 16.094 ( 3.534 -1.328 0.829) 3.865 16.551 ( 0.514 4.528 0.803) 4.627 16.917 ( 1.257 -10.435 -15.792) 18.970 17.130 ( 4.650 2.124 6.452) 8.232 18.769 ( -0.533 4.808 -0.002) 4.837 19.202 ( 19.949 -11.044 1.493) 22.851 20.088 ( -12.434 3.523 10.502) 16.652 21.309 ( 7.543 -8.197 -15.487) 19.077 22.751 ( -13.265 19.498 1.711) 23.644 23.561 ( 1.924 -4.374 0.575) 4.813 24.186 ( -2.730 -1.203 0.787) 3.085 24.268 ( -1.850 -1.888 0.380) 2.670 ======================= Grid point 329 (158/204) ======================= q-point: (-0.09 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 7.809 -1.759 10.584) 13.270 3.084 ( 0.275 15.343 -6.382) 16.619 3.564 ( -25.524 1.487 0.137) 25.568 4.051 ( 0.499 15.717 -11.778) 19.647 4.432 ( 5.602 2.228 11.798) 13.249 4.706 ( 7.919 6.152 3.301) 10.557 5.159 ( -13.312 -2.685 4.616) 14.343 5.257 ( -3.545 0.115 -6.989) 7.837 5.837 ( 2.089 -1.850 -6.335) 6.922 6.214 ( 6.813 -0.608 -5.510) 8.783 6.362 ( -1.465 -8.586 -4.930) 10.009 6.655 ( -3.412 -9.475 1.927) 10.254 6.820 ( 3.305 -12.717 2.452) 13.366 6.922 ( 2.234 14.272 -0.027) 14.446 7.833 ( 0.043 -6.830 8.886) 11.207 7.976 ( 3.787 3.069 -7.181) 8.679 8.181 ( 3.032 4.968 4.606) 7.422 8.268 ( 3.883 0.337 -9.311) 10.094 8.562 ( 0.291 -5.371 -0.471) 5.400 8.796 ( 6.584 -2.018 2.768) 7.422 8.876 ( 2.156 4.484 -5.482) 7.403 9.066 ( -2.668 5.032 -5.708) 8.063 9.238 ( -4.292 0.117 -2.071) 4.767 9.611 ( -4.287 2.532 4.178) 6.499 9.700 ( 10.229 4.535 -2.635) 11.496 10.183 ( 0.796 -1.274 12.422) 12.512 10.352 ( 7.574 -0.157 2.264) 7.906 10.491 ( -3.891 -1.330 2.167) 4.648 10.647 ( 0.701 -0.484 -0.283) 0.898 10.801 ( -0.976 4.692 -3.709) 6.060 10.909 ( 0.448 -3.387 0.247) 3.426 11.051 ( 2.162 -1.951 0.710) 2.997 11.185 ( 11.899 -3.684 -1.947) 12.607 11.472 ( -4.826 0.739 1.125) 5.010 11.645 ( 0.747 1.194 0.734) 1.588 11.869 ( -1.795 -0.686 -1.762) 2.607 12.038 ( -15.777 -0.214 11.576) 19.570 12.186 ( 6.009 6.080 -3.782) 9.347 12.343 ( 4.921 0.324 -2.629) 5.588 12.550 ( 6.158 -2.296 5.790) 8.759 12.845 ( 4.714 0.738 -3.745) 6.066 13.104 ( -1.732 1.803 -11.197) 11.473 13.283 ( 0.502 -4.986 3.724) 6.244 13.618 ( 3.060 1.271 -0.164) 3.318 13.841 ( -7.801 3.556 -4.511) 9.688 14.180 ( -0.689 -7.449 5.445) 9.253 14.221 ( 4.059 -3.802 5.438) 7.779 14.530 ( -6.163 -4.191 -4.397) 8.653 14.602 ( -5.685 -1.744 -0.430) 5.962 14.790 ( -6.568 -1.586 -3.665) 7.687 15.040 ( -4.788 3.443 4.310) 7.304 15.248 ( 7.778 0.558 3.875) 8.707 15.469 ( 4.696 -0.941 4.216) 6.380 15.538 ( -2.011 0.170 4.106) 4.575 16.186 ( 5.176 -0.498 1.470) 5.404 16.504 ( -0.976 4.361 1.223) 4.634 16.989 ( 3.219 -11.916 -16.328) 20.468 17.159 ( 2.763 7.630 -1.348) 8.226 18.684 ( -5.339 -0.097 0.627) 5.376 19.477 ( -9.132 -1.244 23.696) 25.425 20.058 ( 16.546 -2.874 -12.306) 20.820 21.494 ( 9.400 -12.154 -8.126) 17.381 22.296 ( -15.667 24.372 -1.233) 29.000 23.622 ( 0.985 -1.190 2.038) 2.557 24.175 ( -1.490 -2.194 0.807) 2.772 24.281 ( 0.588 -3.076 -0.483) 3.169 ======================= Grid point 337 (159/204) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -13.519 -0.000 -22.242) 26.029 3.467 ( 7.130 0.000 -13.565) 15.325 4.080 ( 11.028 0.000 4.524) 11.919 4.278 ( 19.107 0.000 1.941) 19.205 4.675 ( 18.760 0.000 25.853) 31.942 4.882 ( 2.945 0.000 0.582) 3.002 5.021 ( -11.352 -0.000 1.971) 11.522 5.197 ( 2.574 0.000 3.249) 4.145 5.619 ( -11.819 -0.000 4.562) 12.669 5.941 ( -5.907 -0.000 2.913) 6.586 6.268 ( -0.959 -0.000 -7.463) 7.525 6.288 ( -9.852 -0.000 -20.813) 23.027 7.035 ( 17.825 0.000 12.299) 21.656 7.098 ( -0.765 -0.000 -2.856) 2.957 7.567 ( 4.488 0.000 0.781) 4.555 7.735 ( 13.107 0.000 5.993) 14.412 7.776 ( -5.149 -0.000 -1.480) 5.357 8.094 ( -0.239 -0.000 4.411) 4.418 8.476 ( 11.365 0.000 -3.350) 11.849 8.608 ( -0.831 -0.000 -8.553) 8.593 9.118 ( -1.528 -0.000 -7.232) 7.392 9.167 ( 6.804 0.000 -9.984) 12.082 9.341 ( -0.885 -0.000 -2.430) 2.587 9.563 ( 2.353 0.000 -0.362) 2.381 9.910 ( 7.574 0.000 -2.439) 7.957 10.005 ( 6.627 0.000 10.211) 12.173 10.102 ( 1.476 0.000 9.476) 9.591 10.148 ( 6.732 0.000 0.639) 6.762 10.504 ( 1.188 0.000 2.746) 2.992 10.687 ( 1.880 0.000 -2.427) 3.070 10.893 ( -1.119 -0.000 -2.929) 3.135 11.056 ( -1.911 -0.000 0.669) 2.025 11.224 ( -5.562 -0.000 -4.273) 7.014 11.326 ( 4.582 0.000 0.125) 4.584 11.748 ( 6.869 0.000 -5.074) 8.540 11.933 ( 19.054 0.000 -4.880) 19.669 12.127 ( -7.815 -0.000 4.265) 8.903 12.198 ( -3.528 -0.000 6.320) 7.238 12.221 ( 10.070 0.000 1.336) 10.158 12.453 ( -7.744 -0.000 -0.494) 7.760 12.473 ( 2.226 0.000 3.501) 4.149 13.130 ( -5.407 -0.000 6.547) 8.491 13.344 ( -0.640 -0.000 -11.829) 11.846 13.447 ( 13.223 0.000 2.972) 13.553 13.857 ( 1.104 0.000 2.819) 3.028 13.910 ( -5.967 -0.000 5.956) 8.430 14.383 ( -4.935 -0.000 3.882) 6.279 14.680 ( 5.853 0.000 4.535) 7.404 14.688 ( -1.742 -0.000 -13.239) 13.353 14.987 ( -3.330 -0.000 0.465) 3.363 15.063 ( -8.328 -0.000 -0.908) 8.378 15.223 ( -6.054 -0.000 -5.482) 8.168 15.446 ( -8.380 -0.000 6.299) 10.483 15.685 ( -7.788 -0.000 5.030) 9.271 16.047 ( 1.147 0.000 -1.600) 1.968 16.613 ( 2.406 0.000 6.199) 6.650 16.731 ( 5.028 0.000 -14.237) 15.099 17.027 ( 4.133 0.000 11.132) 11.874 18.624 ( 22.752 0.000 -7.384) 23.920 18.919 ( 0.872 0.000 4.037) 4.130 20.318 ( -13.700 -0.000 13.462) 19.207 21.159 ( 5.951 0.000 -21.322) 22.137 23.213 ( -2.749 -0.000 16.109) 16.342 23.421 ( -3.307 -0.000 -10.932) 11.421 24.233 ( -4.651 -0.000 -1.135) 4.787 24.285 ( -3.664 -0.000 1.836) 4.098 ======================= Grid point 338 (160/204) ======================= q-point: (-0.27 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -8.472 5.607 -13.973) 17.276 3.506 ( 5.036 2.985 -13.872) 15.057 4.122 ( -8.879 7.723 4.698) 12.671 4.415 ( -0.096 9.203 11.113) 14.430 4.671 ( -12.591 8.466 -1.083) 15.211 4.809 ( 3.594 6.781 -1.636) 7.847 5.137 ( 10.587 2.738 16.336) 19.659 5.407 ( -13.803 -3.933 -0.397) 14.358 5.438 ( 13.522 -12.527 2.465) 18.597 5.920 ( -2.142 -9.291 5.116) 10.821 6.175 ( 0.827 -2.116 -12.955) 13.153 6.246 ( -2.289 -6.376 -6.422) 9.335 6.980 ( -7.008 3.208 -10.126) 12.726 7.249 ( 9.889 11.601 9.511) 17.968 7.684 ( 1.197 -3.094 1.606) 3.685 7.735 ( 4.152 -5.530 -2.041) 7.210 8.054 ( 20.306 1.464 7.631) 21.741 8.177 ( 5.213 -4.637 4.090) 8.088 8.522 ( -0.131 2.795 -13.332) 13.622 8.635 ( 6.552 -2.046 -1.255) 6.978 9.054 ( -0.912 2.604 -9.263) 9.665 9.195 ( 1.277 1.565 -11.312) 11.490 9.288 ( -3.438 -1.503 -4.100) 5.558 9.639 ( 6.773 1.431 6.259) 9.333 9.938 ( -1.252 15.378 6.194) 16.626 10.037 ( 7.520 -0.719 3.279) 8.236 10.236 ( 1.040 -6.933 2.296) 7.377 10.354 ( 9.007 -6.388 5.719) 12.435 10.560 ( 3.224 -1.378 3.683) 5.085 10.709 ( 2.833 -0.686 -3.065) 4.230 10.899 ( 4.175 0.664 -6.929) 8.116 11.037 ( 0.245 0.422 -0.914) 1.036 11.122 ( -4.007 2.622 3.106) 5.708 11.406 ( 2.434 -2.942 2.781) 4.724 11.761 ( -1.132 2.737 -4.527) 5.410 11.960 ( -11.355 -0.944 2.730) 11.717 12.168 ( 1.006 3.475 7.819) 8.615 12.223 ( 9.760 -0.084 -0.207) 9.762 12.308 ( -1.537 -0.239 3.448) 3.783 12.366 ( 0.134 -1.706 1.564) 2.319 12.651 ( 14.457 -2.656 -0.579) 14.710 13.106 ( -0.200 -0.660 3.693) 3.756 13.255 ( -2.772 -1.352 -20.126) 20.361 13.614 ( 6.665 3.303 4.245) 8.565 13.846 ( -2.851 -1.446 3.741) 4.921 13.958 ( 3.058 -6.112 6.483) 9.420 14.280 ( -8.369 2.707 4.572) 9.914 14.538 ( -8.811 -2.742 -13.416) 16.283 14.723 ( -2.498 1.249 -4.606) 5.387 14.882 ( -9.603 -0.697 3.212) 10.150 15.053 ( 4.205 -1.917 9.263) 10.352 15.152 ( -0.470 1.023 -3.813) 3.976 15.397 ( -1.693 -0.765 7.053) 7.293 15.588 ( -5.863 0.297 3.367) 6.768 16.089 ( 5.116 0.191 -0.880) 5.195 16.619 ( -2.067 2.084 3.280) 4.402 16.773 ( 4.920 -3.922 -19.054) 20.065 17.158 ( 7.031 0.723 10.658) 12.789 18.843 ( -7.139 2.417 0.586) 7.560 19.051 ( 26.180 -4.236 0.671) 26.529 20.137 ( -13.355 1.339 10.766) 17.207 21.202 ( 7.757 -2.695 -18.156) 19.927 23.119 ( -5.330 17.000 3.640) 18.184 23.412 ( -0.199 -10.966 -2.134) 11.173 24.159 ( -4.589 -1.025 -0.078) 4.703 24.236 ( -3.744 -0.947 2.061) 4.378 ======================= Grid point 339 (161/204) ======================= q-point: (-0.18 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -2.432 -1.775 0.356) 3.032 3.392 ( -4.291 12.032 -11.467) 17.166 3.685 ( -28.937 11.927 0.373) 31.301 4.299 ( -2.133 11.755 -3.430) 12.429 4.454 ( -10.543 -4.301 7.281) 13.516 4.841 ( 1.322 1.641 3.427) 4.023 5.186 ( -10.831 3.856 -0.926) 11.535 5.252 ( 3.849 8.350 9.726) 13.384 5.747 ( 9.619 -6.492 -6.112) 13.116 6.133 ( 10.962 -10.059 -1.769) 14.983 6.153 ( -7.814 -10.427 -13.531) 18.785 6.319 ( 1.065 -16.130 11.636) 19.918 6.796 ( -4.383 4.575 -7.292) 9.660 7.237 ( 3.181 15.556 3.037) 16.166 7.701 ( -2.456 -5.620 5.233) 8.062 7.915 ( 5.229 -7.717 -4.484) 10.344 8.262 ( 7.065 2.681 5.383) 9.278 8.363 ( 8.322 6.758 -4.527) 11.638 8.485 ( 6.456 -2.099 -7.111) 9.831 8.747 ( 5.415 -2.144 3.203) 6.647 8.950 ( -2.833 2.332 -10.454) 11.079 9.125 ( -2.545 1.835 -3.810) 4.935 9.220 ( -5.197 -2.153 -7.851) 9.658 9.766 ( 3.043 7.371 11.148) 13.706 9.803 ( 5.214 9.765 -0.130) 11.070 10.163 ( 2.412 -1.213 9.263) 9.649 10.321 ( 4.381 -4.237 -4.030) 7.307 10.487 ( 1.157 0.525 8.935) 9.025 10.638 ( 2.910 -0.363 1.889) 3.488 10.817 ( 6.235 -4.211 1.125) 7.607 10.886 ( 0.774 3.156 -8.492) 9.093 11.023 ( -1.419 -0.986 -3.302) 3.727 11.163 ( 11.000 1.400 2.775) 11.431 11.463 ( -1.031 -1.506 2.898) 3.425 11.668 ( -3.868 1.231 -1.745) 4.418 11.832 ( -7.802 -2.667 1.446) 8.371 12.046 ( -13.425 1.133 11.053) 17.426 12.285 ( 2.618 3.224 -1.980) 4.601 12.345 ( 1.712 -0.534 1.830) 2.563 12.526 ( 13.224 0.160 2.341) 13.430 12.863 ( 10.274 1.004 -4.338) 11.198 13.119 ( -1.648 -0.244 -17.655) 17.733 13.185 ( 2.522 -4.112 0.614) 4.863 13.658 ( 2.017 3.236 4.204) 5.676 13.864 ( -0.108 -2.279 -1.457) 2.707 14.090 ( 0.706 -6.666 6.993) 9.687 14.122 ( -9.274 0.608 6.365) 11.265 14.381 ( -10.719 -7.377 -7.275) 14.908 14.632 ( -3.307 2.244 -2.674) 4.809 14.760 ( -6.588 -1.521 -1.507) 6.927 15.109 ( -1.559 3.167 4.653) 5.840 15.223 ( 5.815 -2.784 7.051) 9.554 15.461 ( 5.521 0.164 5.062) 7.492 15.528 ( -3.139 -0.923 3.568) 4.841 16.192 ( 8.042 0.967 -1.731) 8.283 16.556 ( -4.454 0.837 2.031) 4.967 16.813 ( 6.004 -5.586 -23.347) 24.746 17.294 ( 7.396 5.398 8.107) 12.230 18.659 ( -13.095 -1.672 -0.831) 13.228 19.464 ( 8.397 -0.135 21.284) 22.881 20.036 ( 7.266 -0.067 -6.870) 10.000 21.310 ( 8.462 -6.294 -13.003) 16.742 22.789 ( -9.315 24.701 -2.544) 26.522 23.540 ( 2.750 -8.299 1.476) 8.866 24.113 ( -3.740 -3.382 0.463) 5.064 24.209 ( -2.822 -3.179 1.688) 4.574 ======================= Grid point 340 (162/204) ======================= q-point: (-0.09 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.732 -11.611 14.882) 18.890 3.032 ( -29.549 4.062 -2.204) 29.908 3.158 ( -12.964 10.495 -8.804) 18.861 4.132 ( -0.092 8.708 -16.279) 18.462 4.419 ( -11.381 -12.999 9.167) 19.559 4.790 ( -10.910 -1.244 3.270) 11.457 4.998 ( -2.829 10.025 -3.884) 11.117 5.197 ( -3.026 8.282 10.623) 13.806 5.879 ( 8.398 1.237 -5.479) 10.103 6.017 ( -16.603 -14.498 -10.969) 24.621 6.331 ( 6.130 -4.371 -2.200) 7.843 6.570 ( 0.733 -8.773 4.100) 9.711 6.806 ( 6.807 -10.182 5.308) 13.348 7.109 ( 1.485 17.287 1.458) 17.412 7.738 ( -5.756 -8.496 5.898) 11.836 7.939 ( -4.162 -0.341 -8.146) 9.154 8.321 ( 2.894 5.613 4.303) 7.641 8.349 ( 7.241 7.082 -9.246) 13.714 8.537 ( -2.290 -1.482 -3.654) 4.560 8.836 ( -3.609 -2.194 5.011) 6.554 8.916 ( 5.192 0.191 -5.039) 7.238 9.068 ( -0.985 2.463 -15.478) 15.703 9.112 ( -2.392 -0.077 6.282) 6.723 9.665 ( -0.958 10.783 4.179) 11.604 9.914 ( 8.525 3.892 1.703) 9.524 10.199 ( -2.961 -0.740 8.965) 9.471 10.422 ( 2.954 -0.697 -0.609) 3.095 10.503 ( 1.242 2.364 6.833) 7.336 10.691 ( 3.229 1.539 1.227) 3.781 10.823 ( -0.405 3.433 -4.290) 5.509 10.875 ( -0.344 -2.417 -0.780) 2.563 11.096 ( 6.047 -1.123 -1.660) 6.371 11.339 ( 5.491 1.257 -3.280) 6.518 11.432 ( 3.268 -0.016 0.565) 3.316 11.646 ( -0.454 -2.156 -0.307) 2.225 11.772 ( -5.966 -3.683 3.389) 7.788 11.860 ( -10.701 0.386 5.701) 12.130 12.315 ( 3.744 1.430 -3.123) 5.081 12.338 ( -1.172 0.877 1.580) 2.154 12.711 ( 9.166 2.246 -0.321) 9.443 12.925 ( 4.204 3.754 -9.180) 10.772 13.041 ( 0.691 -0.683 -9.220) 9.271 13.282 ( 1.400 -4.006 3.774) 5.679 13.677 ( 0.575 -0.160 3.879) 3.924 13.744 ( -7.950 7.985 -5.410) 12.499 14.137 ( -0.988 -9.552 10.520) 14.244 14.171 ( -3.995 -8.215 6.399) 11.153 14.323 ( -2.840 -9.516 -1.452) 10.036 14.570 ( -0.598 2.123 0.060) 2.207 14.702 ( -0.151 -1.040 -5.181) 5.286 15.047 ( -3.430 6.614 7.406) 10.506 15.333 ( 2.881 -1.581 0.742) 3.369 15.508 ( -0.939 -1.222 5.015) 5.246 15.613 ( 7.411 -0.353 4.544) 8.701 16.256 ( 2.040 1.498 -4.866) 5.485 16.519 ( 0.533 0.489 0.445) 0.850 16.909 ( 8.866 -8.821 -21.261) 24.667 17.323 ( 4.313 12.993 3.731) 14.189 18.498 ( -11.738 -7.443 0.162) 13.900 19.389 ( -19.206 7.383 29.283) 35.789 20.366 ( 30.028 -0.749 -15.284) 33.702 21.513 ( 11.329 -12.346 -5.741) 17.713 22.334 ( -11.764 29.555 -3.205) 31.971 23.635 ( 1.400 -1.580 2.077) 2.961 24.109 ( -2.451 -4.812 -0.072) 5.401 24.240 ( 0.448 -6.902 0.395) 6.928 ======================= Grid point 349 (163/204) ======================= q-point: (-0.27 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -8.647 -0.000 -5.659) 10.334 3.506 ( -2.245 -0.000 -12.191) 12.396 3.885 ( -28.356 -0.000 -0.656) 28.364 4.321 ( -17.040 -0.000 11.836) 20.748 4.527 ( -9.394 -0.000 -1.828) 9.570 4.724 ( -9.190 -0.000 -4.201) 10.105 5.259 ( -0.197 -0.000 -0.659) 0.687 5.543 ( 14.606 0.000 21.723) 26.177 5.628 ( 17.392 0.000 -6.200) 18.464 5.837 ( -1.046 -0.000 8.954) 9.014 6.053 ( -11.992 -0.000 -10.273) 15.791 6.200 ( 5.231 0.000 -6.663) 8.471 6.859 ( -4.759 -0.000 -8.473) 9.718 7.421 ( -0.561 -0.000 9.618) 9.635 7.676 ( -0.533 -0.000 -3.200) 3.244 7.765 ( 6.105 0.000 -1.557) 6.300 8.293 ( 8.342 0.000 4.591) 9.522 8.430 ( 18.215 0.000 4.398) 18.738 8.476 ( 2.042 0.000 -15.341) 15.476 8.724 ( 4.437 0.000 2.552) 5.118 8.972 ( -5.148 -0.000 -10.907) 12.061 9.167 ( 0.764 0.000 -18.919) 18.935 9.168 ( -7.632 -0.000 5.167) 9.217 9.813 ( 8.192 0.000 9.401) 12.470 10.069 ( -0.014 -0.000 -2.109) 2.109 10.074 ( -5.495 -0.000 13.689) 14.751 10.223 ( 10.175 0.000 -1.575) 10.296 10.496 ( 4.553 0.000 9.707) 10.722 10.633 ( 4.997 0.000 3.394) 6.040 10.775 ( 7.798 0.000 -5.236) 9.392 10.922 ( 1.059 0.000 -8.419) 8.486 11.012 ( -0.533 -0.000 -4.555) 4.586 11.191 ( 7.402 0.000 6.012) 9.536 11.438 ( 1.763 0.000 4.374) 4.716 11.685 ( -6.608 -0.000 -4.515) 8.003 11.797 ( -9.387 -0.000 4.756) 10.523 12.062 ( -13.697 -0.000 9.884) 16.891 12.322 ( 2.795 0.000 -0.350) 2.817 12.326 ( -0.045 -0.000 5.206) 5.206 12.535 ( 15.660 0.000 -0.419) 15.666 12.875 ( 14.105 0.000 -5.603) 15.178 13.114 ( -1.947 -0.000 -23.843) 23.922 13.141 ( 2.718 0.000 2.936) 4.000 13.735 ( 4.297 0.000 6.162) 7.513 13.787 ( -3.007 -0.000 3.254) 4.430 14.004 ( 0.216 0.000 7.002) 7.005 14.170 ( -9.670 -0.000 6.353) 11.570 14.286 ( -13.257 -0.000 -10.698) 17.035 14.662 ( -1.931 -0.000 -5.978) 6.282 14.738 ( -7.569 -0.000 0.692) 7.601 15.155 ( 2.511 0.000 11.021) 11.304 15.174 ( 2.803 0.000 3.014) 4.117 15.467 ( 6.604 0.000 6.021) 8.937 15.514 ( -4.585 -0.000 2.675) 5.308 16.205 ( 9.413 0.000 -2.683) 9.788 16.559 ( -6.142 -0.000 1.891) 6.427 16.760 ( 6.454 0.000 -25.343) 26.152 17.351 ( 9.773 0.000 11.689) 15.236 18.640 ( -16.150 -0.000 -2.058) 16.280 19.464 ( 14.670 0.000 20.788) 25.443 20.038 ( 3.903 0.000 -4.919) 6.280 21.248 ( 7.818 0.000 -14.745) 16.690 23.175 ( -5.284 -0.000 -14.936) 15.843 23.324 ( 2.600 0.000 12.726) 12.989 24.075 ( -5.066 -0.000 0.635) 5.105 24.176 ( -4.088 -0.000 2.368) 4.724 ======================= Grid point 350 (164/204) ======================= q-point: (-0.18 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -9.062 -7.666 7.892) 14.254 3.211 ( -31.394 9.026 0.336) 32.668 3.373 ( -17.634 7.731 -9.274) 21.371 4.138 ( -16.592 -9.178 6.235) 19.960 4.316 ( -5.132 8.961 -11.037) 15.115 4.592 ( -16.105 -14.247 -4.498) 21.968 5.245 ( 1.519 12.448 1.192) 12.597 5.567 ( -1.378 18.792 4.353) 19.339 5.715 ( -8.973 -7.463 -2.385) 11.912 5.902 ( 5.722 -1.318 -2.765) 6.490 6.185 ( 11.543 -21.057 11.799) 26.755 6.267 ( 1.662 -4.123 -0.653) 4.493 6.784 ( 0.969 2.189 -2.695) 3.604 7.380 ( -2.567 6.693 5.395) 8.972 7.637 ( -1.917 0.872 -0.894) 2.288 7.854 ( 0.118 -6.315 -7.828) 10.058 8.406 ( 4.646 2.937 3.068) 6.295 8.457 ( 4.698 1.273 -14.993) 15.764 8.558 ( -3.836 2.996 -0.919) 4.953 8.795 ( 0.110 -1.315 7.280) 7.399 8.904 ( 2.897 -0.748 -4.294) 5.234 9.083 ( -2.497 0.464 -17.035) 17.223 9.123 ( 2.007 -0.003 5.771) 6.110 9.908 ( -1.163 10.368 7.059) 12.597 9.970 ( 4.263 3.548 4.165) 6.935 10.130 ( -2.905 -6.595 3.910) 8.199 10.398 ( 8.978 -1.356 1.299) 9.172 10.554 ( -1.002 1.734 8.910) 9.132 10.725 ( 5.010 1.506 2.590) 5.838 10.832 ( -1.757 -1.702 -0.462) 2.489 10.877 ( -1.329 1.719 -5.661) 6.064 11.071 ( 11.653 -0.911 -7.992) 14.159 11.363 ( 10.978 0.949 -0.546) 11.032 11.468 ( 0.374 2.992 2.246) 3.760 11.583 ( -3.378 -3.616 -2.480) 5.535 11.713 ( -4.677 -1.792 5.485) 7.428 11.871 ( -13.357 0.401 6.779) 14.984 12.340 ( 0.151 0.854 -2.773) 2.905 12.345 ( 0.118 -0.059 4.235) 4.237 12.750 ( 11.191 1.376 -1.929) 11.439 12.994 ( 5.165 2.452 -9.081) 10.731 13.022 ( 2.300 -0.735 -17.663) 17.827 13.205 ( 1.758 -2.727 1.855) 3.737 13.711 ( -3.974 4.300 6.123) 8.472 13.879 ( 0.313 -9.091 7.351) 11.695 13.924 ( -11.767 6.416 -2.540) 13.641 14.099 ( 2.633 -2.227 11.273) 11.789 14.132 ( -7.287 -8.702 0.188) 11.351 14.615 ( 0.154 2.255 -3.387) 4.072 14.671 ( -0.929 -1.922 -3.737) 4.304 15.175 ( -0.035 5.662 8.035) 9.830 15.280 ( 2.449 -3.520 4.890) 6.504 15.484 ( -0.705 -0.807 6.161) 6.253 15.602 ( 5.766 -0.517 4.442) 7.297 16.307 ( 5.267 2.657 -10.065) 11.666 16.494 ( -2.059 -1.856 1.057) 2.967 16.790 ( 9.195 -3.149 -23.186) 25.140 17.525 ( 8.838 6.179 9.421) 14.319 18.372 ( -16.628 -4.174 -2.865) 17.382 19.498 ( -17.470 3.100 32.420) 36.957 20.370 ( 36.179 0.549 -13.974) 38.788 21.335 ( 7.298 -4.994 -10.151) 13.463 22.887 ( -6.446 22.932 -10.456) 26.015 23.512 ( 4.896 -10.712 5.683) 13.078 24.012 ( -4.762 -3.274 0.972) 5.860 24.134 ( -3.616 -2.808 2.151) 5.058 ======================= Grid point 351 (165/204) ======================= q-point: (-0.09 -0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -13.543 -19.962 18.372) 30.322 2.566 ( -32.951 8.520 6.019) 34.563 3.031 ( -12.212 6.562 -6.812) 15.446 3.996 ( -10.559 -5.815 -7.127) 14.004 4.114 ( -15.647 -7.242 -5.829) 18.200 4.388 ( -20.848 -9.712 -12.235) 26.051 5.035 ( -9.883 9.760 -0.452) 13.897 5.316 ( -9.201 10.305 -7.918) 15.923 5.674 ( -3.813 -2.809 13.347) 14.163 6.095 ( 15.759 4.595 2.617) 16.622 6.287 ( -5.980 -6.070 1.548) 8.661 6.503 ( 2.145 -10.154 5.497) 11.744 6.881 ( 8.976 -5.009 3.663) 10.912 7.284 ( 0.414 11.008 1.623) 11.135 7.581 ( -6.503 -2.919 -1.456) 7.275 7.804 ( -6.372 -3.111 -7.701) 10.468 8.336 ( -12.444 -2.260 -0.869) 12.677 8.431 ( 0.738 4.162 -2.291) 4.808 8.525 ( 8.913 5.871 -7.294) 12.927 8.790 ( -4.530 1.016 8.078) 9.317 8.938 ( -3.955 0.373 -9.959) 10.722 8.971 ( 3.992 0.234 -3.529) 5.334 9.259 ( 10.179 1.119 2.381) 10.514 9.774 ( -1.979 11.831 1.598) 12.102 10.018 ( 0.096 0.941 3.905) 4.018 10.170 ( 0.016 -4.576 3.254) 5.615 10.464 ( -2.882 5.075 4.370) 7.291 10.553 ( 1.167 -1.010 2.976) 3.352 10.753 ( 0.059 1.800 1.345) 2.248 10.811 ( -1.702 2.640 -3.891) 5.000 10.852 ( 1.714 -2.873 -1.631) 3.722 11.209 ( 7.401 4.454 -2.457) 8.980 11.358 ( -0.506 3.986 -4.581) 6.094 11.581 ( 2.789 0.093 -2.413) 3.689 11.590 ( 4.208 -1.862 2.146) 5.077 11.680 ( -5.146 -1.537 4.440) 6.968 11.771 ( 2.409 -3.299 -0.701) 4.145 12.254 ( -6.445 3.309 -3.374) 7.992 12.404 ( 3.614 -3.328 2.754) 5.632 12.811 ( 3.012 1.647 -11.576) 12.074 12.930 ( -2.450 2.644 -10.262) 10.877 13.082 ( 4.736 1.308 1.732) 5.209 13.263 ( 0.344 -5.783 4.643) 7.424 13.607 ( -13.270 5.003 3.708) 14.658 13.657 ( -6.959 -3.418 -0.275) 7.758 14.001 ( 2.888 -6.440 2.504) 7.489 14.163 ( -1.943 -5.601 10.155) 11.759 14.306 ( 9.703 -5.783 7.207) 13.399 14.619 ( 4.090 1.844 -2.434) 5.105 14.717 ( 6.445 -2.302 -1.620) 7.033 15.101 ( -3.995 9.022 5.653) 11.372 15.322 ( -1.001 -3.073 -0.698) 3.306 15.535 ( 0.784 1.216 6.565) 6.723 15.686 ( 1.215 -2.363 1.897) 3.264 16.241 ( -1.212 2.746 -12.080) 12.447 16.530 ( 2.697 -2.773 -3.440) 5.176 16.930 ( 11.504 -4.986 -14.686) 19.310 17.556 ( 4.555 14.509 4.511) 15.862 18.217 ( -10.843 -10.526 0.436) 15.118 19.252 ( -21.044 6.846 27.411) 35.229 20.836 ( 29.221 8.434 -10.934) 32.319 21.558 ( 13.400 -15.002 -2.670) 20.292 22.464 ( -7.372 30.964 -7.283) 32.652 23.658 ( 2.088 -1.142 2.925) 3.772 24.007 ( -2.671 -6.587 -0.786) 7.152 24.167 ( 0.681 -9.892 1.321) 10.003 ======================= Grid point 361 (166/204) ======================= q-point: (-0.18 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -14.383 -0.000 20.486) 25.031 2.677 ( -38.994 -0.000 6.484) 39.529 3.114 ( -16.023 -0.000 -5.661) 16.993 3.892 ( -13.683 -0.000 7.548) 15.627 4.080 ( -27.491 -0.000 -9.814) 29.190 4.263 ( -4.302 -0.000 -23.281) 23.675 5.145 ( -24.227 -0.000 -20.935) 32.019 5.363 ( -3.086 -0.000 5.355) 6.181 5.796 ( -2.150 -0.000 5.605) 6.003 6.090 ( 5.135 0.000 18.879) 19.565 6.274 ( 6.112 0.000 3.059) 6.835 6.291 ( 10.597 0.000 5.108) 11.764 6.853 ( 6.057 0.000 4.123) 7.328 7.356 ( -4.628 -0.000 4.626) 6.544 7.628 ( -0.895 -0.000 -4.396) 4.486 7.729 ( -6.203 -0.000 -13.593) 14.942 8.309 ( -13.429 -0.000 -5.453) 14.493 8.486 ( 1.793 0.000 1.174) 2.143 8.580 ( 6.894 0.000 -7.742) 10.367 8.803 ( -3.456 -0.000 6.683) 7.524 8.913 ( 0.561 0.000 2.165) 2.236 9.005 ( 0.162 0.000 -14.233) 14.234 9.263 ( 10.243 0.000 4.729) 11.282 9.969 ( -2.298 -0.000 -0.198) 2.306 10.002 ( -5.136 -0.000 9.630) 10.914 10.076 ( 2.469 0.000 -1.264) 2.773 10.525 ( 4.381 0.000 2.834) 5.217 10.538 ( -5.634 -0.000 7.082) 9.050 10.775 ( -1.733 -0.000 -3.911) 4.277 10.817 ( 2.663 0.000 3.390) 4.311 10.842 ( 0.215 0.000 -6.440) 6.444 11.252 ( 12.698 0.000 -4.673) 13.531 11.435 ( -1.390 -0.000 -6.955) 7.092 11.533 ( 0.273 0.000 5.080) 5.087 11.590 ( 10.991 0.000 -1.053) 11.041 11.666 ( -8.503 -0.000 5.064) 9.897 11.738 ( 1.195 0.000 1.086) 1.615 12.305 ( -3.096 -0.000 -6.287) 7.008 12.353 ( -1.057 -0.000 5.356) 5.459 12.828 ( 2.789 0.000 -15.682) 15.928 12.968 ( -5.581 -0.000 -9.270) 10.820 13.090 ( 9.934 0.000 1.285) 10.016 13.195 ( -2.533 -0.000 2.554) 3.597 13.616 ( -11.511 -0.000 1.234) 11.577 13.650 ( -14.369 -0.000 8.539) 16.715 14.012 ( 4.127 0.000 1.776) 4.493 14.022 ( 2.914 0.000 4.653) 5.490 14.257 ( 9.334 0.000 12.005) 15.207 14.644 ( 3.174 0.000 -4.914) 5.850 14.683 ( 6.510 0.000 -0.111) 6.511 15.240 ( -0.628 -0.000 5.663) 5.698 15.252 ( -3.803 -0.000 -0.730) 3.872 15.553 ( 3.137 0.000 10.451) 10.911 15.654 ( -0.357 -0.000 3.046) 3.067 16.288 ( -0.533 -0.000 -22.551) 22.557 16.480 ( 1.546 0.000 2.152) 2.650 16.880 ( 12.454 0.000 -13.877) 18.646 17.741 ( 8.311 0.000 7.879) 11.452 18.071 ( -14.681 -0.000 -3.007) 14.986 19.324 ( -20.865 -0.000 28.643) 35.437 20.965 ( 40.004 0.000 -7.650) 40.729 21.365 ( 5.046 0.000 -6.894) 8.543 22.864 ( -5.162 -0.000 -16.920) 17.690 23.590 ( 8.061 0.000 8.364) 11.616 23.916 ( -5.401 -0.000 1.856) 5.711 24.067 ( -3.516 -0.000 1.899) 3.996 ======================= Grid point 362 (167/204) ======================= q-point: (-0.09 -0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -21.519 -2.368 26.847) 34.488 2.138 ( -29.405 -5.697 17.989) 34.939 2.855 ( -12.005 1.559 -0.570) 12.119 3.471 ( -45.759 -11.842 7.567) 47.868 3.807 ( -4.675 0.247 -14.676) 15.404 4.062 ( -7.933 -1.046 -27.274) 28.423 4.743 ( -17.584 -5.715 -15.059) 23.846 5.231 ( -8.958 7.842 -0.024) 11.905 5.765 ( -0.026 5.722 7.639) 9.545 6.052 ( -15.005 -7.768 7.234) 18.380 6.404 ( 6.205 2.372 2.162) 6.986 6.594 ( 17.279 1.789 12.413) 21.350 6.984 ( 3.939 -2.103 5.828) 7.342 7.318 ( -2.651 -2.347 3.353) 4.877 7.488 ( -5.005 7.943 -7.785) 12.196 7.643 ( -3.484 -5.598 -3.511) 7.471 8.094 ( -11.818 -1.676 -3.506) 12.441 8.468 ( -3.166 3.246 2.539) 5.197 8.645 ( 4.787 1.424 -5.566) 7.478 8.745 ( -2.368 -0.666 -6.030) 6.512 8.944 ( 4.311 5.588 0.429) 7.071 9.027 ( 5.442 -3.061 2.346) 6.670 9.426 ( 8.032 0.540 1.863) 8.263 9.833 ( -4.016 9.982 -1.334) 10.842 9.990 ( -4.601 -2.568 5.032) 7.286 10.120 ( -1.424 -6.376 0.865) 6.590 10.461 ( -3.077 3.419 2.100) 5.056 10.513 ( -5.931 0.461 -2.205) 6.344 10.720 ( -2.970 0.097 -5.631) 6.367 10.835 ( -1.790 -0.116 4.296) 4.656 10.867 ( 6.308 1.810 -6.896) 9.520 11.373 ( 2.290 5.259 -1.476) 5.923 11.386 ( 2.510 4.632 -0.208) 5.272 11.473 ( -5.446 0.321 -0.294) 5.464 11.634 ( 1.821 -3.790 0.921) 4.304 11.771 ( 11.447 -0.224 -1.888) 11.603 11.851 ( 8.799 -0.954 -0.228) 8.854 12.164 ( -7.781 5.340 -6.211) 11.298 12.399 ( 0.357 -6.567 5.827) 8.787 12.768 ( -13.585 -2.352 -6.974) 15.450 12.781 ( -0.403 0.272 -12.390) 12.399 13.117 ( -7.786 1.716 6.882) 10.532 13.276 ( 4.257 -3.059 8.370) 9.876 13.471 ( -3.807 2.251 2.093) 4.893 13.543 ( -2.196 -4.635 2.049) 5.523 14.088 ( 6.685 0.690 2.983) 7.353 14.144 ( 1.250 -3.697 8.002) 8.903 14.435 ( 8.267 -3.294 0.932) 8.948 14.684 ( 4.488 0.682 -4.890) 6.672 14.886 ( 14.606 -1.512 6.993) 16.264 15.090 ( -10.069 6.816 -5.367) 13.291 15.251 ( -3.567 -3.147 1.087) 4.880 15.529 ( -7.632 2.078 -7.533) 10.923 15.646 ( -2.028 -1.241 0.589) 2.449 16.238 ( 5.275 1.953 0.489) 5.646 16.542 ( 2.846 -2.876 1.201) 4.221 17.016 ( 8.648 -1.770 -12.326) 15.161 17.758 ( 0.780 12.810 2.651) 13.104 17.993 ( -3.155 -10.969 2.808) 11.754 19.075 ( -20.973 4.062 23.639) 31.862 21.306 ( 14.181 15.320 -5.218) 21.518 21.669 ( 23.494 -15.156 -0.166) 27.959 22.614 ( -1.999 21.137 -13.493) 25.156 23.716 ( 1.797 4.121 3.517) 5.708 23.896 ( -1.829 -7.491 -0.682) 7.741 24.089 ( 1.975 -10.569 1.411) 10.844 ======================= Grid point 373 (168/204) ======================= q-point: (-0.09 -0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -28.002 -0.000 25.133) 37.627 1.741 ( -16.585 -0.000 36.520) 40.109 2.663 ( -48.876 -0.000 23.782) 54.355 2.685 ( -11.003 -0.000 1.356) 11.086 3.687 ( -2.926 -0.000 -24.821) 24.992 3.823 ( -4.117 -0.000 -30.177) 30.456 4.425 ( -10.919 -0.000 -6.437) 12.675 5.100 ( -9.856 -0.000 -8.256) 12.857 5.758 ( -19.238 -0.000 13.931) 23.753 5.857 ( 4.606 0.000 2.741) 5.360 6.399 ( -3.805 -0.000 -8.742) 9.534 6.964 ( 13.069 0.000 0.015) 13.069 6.995 ( -4.487 -0.000 13.375) 14.108 7.250 ( -2.048 -0.000 6.907) 7.205 7.529 ( 4.300 0.000 5.921) 7.318 7.596 ( 4.325 0.000 -2.087) 4.802 7.912 ( -7.907 -0.000 -0.810) 7.948 8.390 ( -10.000 -0.000 5.924) 11.623 8.698 ( 2.514 0.000 -9.836) 10.152 8.717 ( 5.814 0.000 -3.323) 6.696 9.053 ( 3.381 0.000 7.248) 7.998 9.179 ( 13.079 0.000 3.711) 13.595 9.538 ( 5.183 0.000 -0.011) 5.183 9.845 ( -3.175 -0.000 -8.618) 9.184 9.851 ( -7.986 -0.000 4.641) 9.236 10.013 ( -8.864 -0.000 6.593) 11.047 10.392 ( -7.813 -0.000 -1.438) 7.945 10.479 ( 3.994 0.000 -5.014) 6.410 10.631 ( -4.769 -0.000 -6.167) 7.796 10.776 ( -3.921 -0.000 -5.784) 6.988 10.985 ( 8.513 0.000 -4.980) 9.863 11.292 ( -11.907 -0.000 3.978) 12.554 11.416 ( 2.520 0.000 -3.840) 4.593 11.575 ( 8.605 0.000 -0.385) 8.614 11.675 ( 5.471 0.000 2.703) 6.102 11.923 ( 7.375 0.000 -0.701) 7.408 11.989 ( 5.786 0.000 -0.979) 5.868 12.043 ( -5.065 -0.000 -8.880) 10.223 12.321 ( -14.926 -0.000 6.511) 16.285 12.549 ( 1.654 0.000 3.595) 3.957 12.748 ( 1.798 0.000 -6.187) 6.443 12.983 ( -12.351 -0.000 5.744) 13.621 13.303 ( -2.960 -0.000 7.951) 8.484 13.535 ( 4.015 0.000 2.154) 4.557 13.569 ( 8.636 0.000 4.480) 9.729 14.165 ( 0.060 0.000 3.217) 3.218 14.194 ( 1.888 0.000 6.335) 6.611 14.502 ( -1.056 -0.000 -13.372) 13.414 14.752 ( 5.866 0.000 -4.244) 7.241 14.769 ( -20.366 -0.000 -19.550) 28.230 15.139 ( 12.249 0.000 6.483) 13.858 15.161 ( -7.471 -0.000 2.435) 7.858 15.337 ( -8.316 -0.000 -7.272) 11.047 15.630 ( -0.350 -0.000 1.292) 1.339 16.521 ( 20.635 0.000 22.611) 30.611 16.557 ( -0.113 -0.000 3.900) 3.901 17.048 ( 3.681 0.000 -13.727) 14.212 17.821 ( -0.890 -0.000 5.807) 5.875 17.962 ( 2.760 0.000 0.941) 2.916 18.849 ( -20.533 -0.000 17.822) 27.188 21.485 ( 4.315 0.000 1.359) 4.524 22.012 ( 19.666 0.000 -1.461) 19.720 22.696 ( 9.051 0.000 -14.089) 16.746 23.775 ( -4.189 -0.000 2.293) 4.776 23.823 ( 1.459 0.000 -1.849) 2.356 24.062 ( 2.375 0.000 -3.045) 3.862 ======================= Grid point 374 (169/204) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -1.168 -0.000 -28.184) 28.208 1.856 ( 1.168 0.000 28.184) 28.208 2.375 ( -3.548 -0.000 -40.044) 40.200 2.375 ( 3.548 0.000 40.044) 40.200 3.451 ( 9.466 0.000 -33.407) 34.722 3.451 ( -9.466 -0.000 33.407) 34.722 4.341 ( -4.819 -0.000 -7.808) 9.176 4.341 ( 4.819 0.000 7.808) 9.176 5.803 ( 4.017 0.000 -17.094) 17.559 5.803 ( -4.017 -0.000 17.094) 17.559 6.393 ( -11.867 -0.000 -10.951) 16.148 6.393 ( 11.867 0.000 10.951) 16.148 7.287 ( 1.659 0.000 -10.296) 10.429 7.287 ( -1.659 -0.000 10.296) 10.429 7.828 ( 1.905 0.000 -7.159) 7.408 7.828 ( -1.905 -0.000 7.159) 7.408 8.191 ( 15.832 0.000 -7.812) 17.655 8.191 ( -15.832 -0.000 7.812) 17.655 9.085 ( 2.256 0.000 -5.241) 5.706 9.085 ( -2.256 -0.000 5.241) 5.706 9.182 ( 7.254 0.000 -6.507) 9.745 9.182 ( -7.254 -0.000 6.507) 9.745 9.478 ( -3.272 -0.000 -7.036) 7.760 9.478 ( 3.272 0.000 7.036) 7.760 10.010 ( -9.903 -0.000 2.499) 10.213 10.010 ( 9.903 0.000 -2.499) 10.213 10.199 ( 3.504 0.000 -6.685) 7.548 10.199 ( -3.504 -0.000 6.685) 7.548 10.593 ( 2.670 0.000 -1.193) 2.924 10.593 ( -2.670 -0.000 1.193) 2.924 10.989 ( 8.726 0.000 -7.414) 11.450 10.989 ( -8.726 -0.000 7.414) 11.450 11.579 ( -6.304 -0.000 -4.851) 7.954 11.579 ( 6.304 0.000 4.851) 7.954 11.859 ( -12.204 -0.000 2.648) 12.488 11.859 ( 12.204 0.000 -2.648) 12.488 11.970 ( 0.521 0.000 -4.561) 4.591 11.970 ( -0.521 -0.000 4.561) 4.591 12.416 ( -26.389 -0.000 1.554) 26.435 12.416 ( 26.389 0.000 -1.554) 26.435 13.078 ( -15.776 -0.000 -4.599) 16.433 13.078 ( 15.776 0.000 4.599) 16.433 13.223 ( -10.273 -0.000 -0.664) 10.295 13.223 ( 10.273 0.000 0.664) 10.295 13.822 ( -3.177 -0.000 0.598) 3.233 13.822 ( 3.177 0.000 -0.598) 3.233 14.272 ( 3.228 0.000 -2.457) 4.057 14.272 ( -3.228 -0.000 2.457) 4.057 14.794 ( -8.822 -0.000 1.405) 8.933 14.794 ( 8.822 0.000 -1.405) 8.933 15.020 ( -4.317 -0.000 -3.856) 5.789 15.020 ( 4.317 0.000 3.856) 5.789 15.540 ( -4.048 -0.000 -3.946) 5.653 15.540 ( 4.048 0.000 3.946) 5.653 16.695 ( 0.500 0.000 -8.951) 8.965 16.695 ( -0.500 -0.000 8.951) 8.965 17.805 ( -11.100 -0.000 -5.493) 12.385 17.805 ( 11.100 0.000 5.493) 12.385 18.334 ( -25.804 -0.000 -0.492) 25.809 18.334 ( 25.804 0.000 0.492) 25.809 21.837 ( -6.072 -0.000 -9.520) 11.292 21.837 ( 6.072 0.000 9.520) 11.292 23.374 ( -27.518 -0.000 -3.839) 27.785 23.374 ( 27.518 0.000 3.839) 27.785 23.759 ( 1.034 0.000 -2.913) 3.091 23.759 ( -1.034 -0.000 2.913) 3.091 ======================= Grid point 376 (170/204) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 18.751 -1.013 -20.649) 27.910 2.092 ( 11.770 -0.430 -8.254) 14.382 2.274 ( 15.712 4.406 -6.868) 17.705 2.627 ( 14.262 7.911 33.612) 37.360 3.447 ( -2.677 -13.702 -14.230) 19.934 3.472 ( -1.709 -14.247 -10.586) 17.832 4.345 ( 2.770 -5.354 -1.037) 6.117 4.567 ( 12.148 -5.047 16.399) 21.023 5.845 ( 2.612 1.549 3.641) 4.741 5.870 ( 9.543 -0.305 -6.191) 11.379 6.199 ( -4.324 1.134 -4.943) 6.665 6.603 ( 9.605 4.683 13.339) 17.091 7.285 ( 1.432 -1.669 -10.213) 10.447 7.332 ( 1.528 -3.691 3.982) 5.641 7.736 ( -4.786 9.363 -6.830) 12.539 7.801 ( -3.340 5.189 3.130) 6.920 7.971 ( -8.310 -0.195 0.009) 8.313 8.342 ( 10.526 6.040 -8.206) 14.649 8.790 ( -12.442 2.385 -7.535) 14.740 8.931 ( -12.716 -4.794 -8.549) 16.055 9.275 ( 7.173 8.995 7.915) 13.964 9.356 ( -0.202 2.898 -12.201) 12.542 9.455 ( 0.391 -4.620 10.415) 11.401 9.526 ( 1.272 0.469 3.873) 4.104 9.885 ( -3.102 -2.552 0.259) 4.025 10.090 ( 2.019 1.871 -5.287) 5.961 10.224 ( -0.217 -4.537 12.743) 13.528 10.241 ( 3.609 0.478 0.436) 3.666 10.593 ( 2.632 -0.991 -0.322) 2.831 10.640 ( 3.664 -1.560 -5.901) 7.119 10.905 ( -5.366 1.404 8.980) 10.554 11.113 ( 11.161 4.815 -2.798) 12.473 11.442 ( -4.556 5.330 -2.547) 7.460 11.627 ( -1.981 6.394 5.300) 8.538 11.736 ( -2.168 2.287 2.314) 3.910 11.903 ( -3.261 2.050 -3.240) 5.033 11.963 ( -1.553 -0.269 1.574) 2.227 12.082 ( 2.153 -0.574 -0.984) 2.436 12.158 ( 1.396 -8.209 1.882) 8.537 12.799 ( 9.395 0.423 -0.524) 9.419 12.827 ( -6.238 -0.411 -2.372) 6.686 12.967 ( -10.236 -3.551 -3.152) 11.284 13.388 ( 7.156 -1.995 -4.719) 8.801 13.519 ( 27.274 1.693 10.190) 29.164 13.719 ( -8.828 -2.301 -1.307) 9.216 13.816 ( -2.809 -4.112 -3.003) 5.815 14.248 ( -2.460 -0.893 2.397) 3.549 14.339 ( 3.594 -4.148 -4.636) 7.184 14.645 ( -8.400 1.325 2.939) 8.997 14.820 ( -6.199 -3.100 0.809) 6.978 15.052 ( 10.197 2.344 -3.536) 11.044 15.129 ( 5.330 -1.069 2.807) 6.119 15.438 ( -6.931 -0.414 -4.048) 8.037 15.605 ( 1.874 -1.029 2.706) 3.448 16.650 ( -1.428 2.319 -4.561) 5.312 16.725 ( -0.878 -0.568 9.971) 10.026 17.457 ( -23.344 4.350 -13.827) 27.478 17.894 ( 1.047 6.203 0.638) 6.323 18.068 ( -5.596 -4.530 -4.039) 8.256 18.761 ( 31.261 5.582 -11.445) 33.755 21.614 ( -9.440 14.724 -3.455) 17.828 21.905 ( 5.626 10.793 6.735) 13.910 22.902 ( -32.829 -6.869 3.070) 33.680 23.658 ( 9.141 8.075 2.619) 12.475 23.798 ( 0.542 -5.458 2.098) 5.873 23.892 ( 6.637 -13.798 5.465) 16.257 ======================= Grid point 377 (171/204) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 17.119 11.952 -28.071) 34.984 2.333 ( 16.201 2.532 -2.297) 16.558 2.611 ( 22.655 -1.776 5.628) 23.411 3.003 ( 18.644 -3.549 27.118) 33.099 3.583 ( 13.775 -21.056 -38.076) 45.639 3.658 ( 1.700 -22.766 10.776) 25.245 4.491 ( 6.221 -9.335 0.818) 11.248 4.878 ( 12.084 -2.293 11.549) 16.872 5.812 ( -4.146 1.843 2.279) 5.077 6.054 ( 15.613 -1.315 -9.195) 18.167 6.258 ( 10.550 0.577 2.816) 10.935 6.706 ( 5.094 8.503 14.075) 17.215 7.198 ( -8.811 4.543 -18.112) 20.648 7.373 ( -4.620 6.944 3.595) 9.082 7.519 ( 1.898 -0.076 -9.122) 9.318 7.708 ( 0.913 4.841 1.007) 5.028 7.979 ( 2.531 -6.593 -1.400) 7.199 8.375 ( 5.066 6.185 0.399) 8.004 8.644 ( -4.569 -2.397 -4.757) 7.018 8.748 ( -9.988 -1.427 -6.179) 11.831 9.156 ( -6.280 11.036 -8.821) 15.461 9.258 ( -8.052 0.735 -1.706) 8.263 9.435 ( 0.495 5.240 5.907) 7.912 9.585 ( 1.951 -0.353 2.120) 2.903 9.955 ( 0.634 1.094 7.742) 7.845 10.127 ( 7.780 -1.606 5.103) 9.442 10.297 ( -0.469 -3.686 1.449) 3.988 10.306 ( 6.179 2.884 0.367) 6.829 10.655 ( 1.104 -0.626 0.425) 1.338 10.729 ( 8.146 -3.321 -1.328) 8.896 10.857 ( -2.564 0.757 3.591) 4.477 11.165 ( 3.751 11.012 3.459) 12.136 11.376 ( 4.147 1.783 -2.517) 5.168 11.478 ( -6.736 8.518 -0.052) 10.859 11.677 ( -4.526 0.181 5.029) 6.768 11.865 ( -2.444 3.240 1.206) 4.234 11.939 ( -0.151 -0.169 -0.886) 0.915 12.026 ( -2.932 -1.212 -3.640) 4.829 12.431 ( 14.777 -3.450 3.079) 15.484 12.691 ( -5.203 -1.688 0.004) 5.470 12.708 ( -14.196 -8.926 -0.325) 16.772 13.118 ( 14.287 3.443 -7.186) 16.359 13.421 ( 1.335 2.536 -5.749) 6.424 13.624 ( -4.652 -2.104 2.244) 5.577 13.673 ( -5.107 -6.098 -5.580) 9.716 14.141 ( 27.471 -1.094 12.827) 30.337 14.201 ( -6.525 -1.104 2.769) 7.174 14.395 ( 2.019 -1.129 -5.153) 5.648 14.565 ( -4.119 -4.187 2.767) 6.493 14.765 ( -5.596 -6.624 2.710) 9.085 15.170 ( 7.818 3.195 0.345) 8.452 15.212 ( 2.074 -1.127 0.164) 2.366 15.299 ( -8.155 -0.752 -3.522) 8.915 15.645 ( 0.320 -1.411 1.527) 2.104 16.569 ( -2.661 4.176 -2.922) 5.750 16.707 ( -8.083 2.909 4.334) 9.622 17.020 ( -14.090 1.098 -11.510) 18.227 17.765 ( -3.915 9.768 -3.108) 10.973 18.123 ( 2.773 -7.927 -3.015) 8.923 19.107 ( 29.587 10.300 -19.314) 36.804 21.238 ( -16.134 20.007 8.230) 26.987 21.886 ( 6.254 14.832 1.757) 16.192 22.508 ( -29.625 -11.810 2.403) 31.983 23.683 ( 3.418 5.311 -0.011) 6.316 23.891 ( 2.122 -7.250 1.066) 7.629 24.116 ( 0.880 -11.286 8.750) 14.307 ======================= Grid point 378 (172/204) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 23.127 5.285 -14.774) 27.947 2.478 ( 11.846 11.284 10.026) 19.188 2.984 ( 12.553 -14.842 -15.717) 24.998 3.432 ( 12.277 -10.271 22.221) 27.386 3.952 ( 13.520 -16.578 0.783) 21.407 4.049 ( 21.466 -20.586 -13.222) 32.548 4.738 ( 8.883 -11.137 7.034) 15.887 5.038 ( 7.660 5.425 -0.276) 9.390 5.765 ( -0.648 0.842 2.376) 2.603 6.281 ( 12.235 -2.684 -6.070) 13.919 6.430 ( 6.697 0.333 -2.352) 7.106 6.751 ( -1.052 3.647 8.323) 9.148 6.788 ( -9.409 14.230 -13.535) 21.776 7.231 ( -2.035 8.403 -0.000) 8.646 7.637 ( 5.155 -7.346 -2.858) 9.418 7.741 ( 5.083 -0.785 -2.967) 5.938 8.143 ( 7.223 -9.387 1.085) 11.894 8.393 ( 3.721 8.627 2.647) 9.761 8.555 ( -10.503 3.532 -3.643) 11.664 8.620 ( -0.402 -4.095 -0.637) 4.164 8.922 ( -2.193 9.991 -5.710) 11.715 9.120 ( -7.508 0.879 -2.521) 7.968 9.382 ( -3.113 4.782 0.984) 5.790 9.602 ( 1.219 4.068 2.169) 4.768 9.945 ( -1.467 2.943 6.806) 7.558 10.264 ( 3.585 6.593 5.054) 9.048 10.362 ( 7.428 5.837 4.668) 10.537 10.403 ( 6.036 -10.462 -0.980) 12.118 10.649 ( -2.564 0.642 3.037) 4.026 10.840 ( 1.239 -0.945 -3.838) 4.142 10.896 ( 8.271 -0.936 -2.773) 8.773 11.131 ( 0.899 5.360 9.249) 10.728 11.262 ( -7.642 9.473 -2.906) 12.513 11.469 ( 9.165 1.385 -3.013) 9.746 11.646 ( -2.688 -0.561 4.083) 4.921 11.720 ( -12.101 -1.592 4.051) 12.860 11.927 ( -0.478 1.352 -4.304) 4.537 12.053 ( 7.305 0.325 -2.876) 7.858 12.583 ( -10.952 -5.715 9.391) 15.517 12.645 ( 3.050 -0.559 6.897) 7.562 12.702 ( 4.121 -3.003 -7.297) 8.902 13.145 ( -1.818 4.092 -2.454) 5.106 13.455 ( 9.224 6.206 -4.415) 11.962 13.544 ( -3.311 -0.778 -5.592) 6.545 13.714 ( -2.087 -13.314 -2.613) 13.728 14.107 ( -6.651 -2.911 2.336) 7.627 14.389 ( 3.832 1.153 -7.889) 8.846 14.494 ( 7.980 4.416 6.852) 11.408 14.560 ( -4.238 -7.037 0.036) 8.215 14.865 ( 7.418 -3.234 7.024) 10.715 15.088 ( -11.443 -1.921 -7.060) 13.582 15.251 ( 0.969 1.989 8.502) 8.785 15.314 ( 6.840 -2.666 0.709) 7.375 15.653 ( -1.519 -0.756 2.357) 2.904 16.408 ( -9.921 3.514 -11.658) 15.706 16.509 ( -4.925 5.034 3.540) 7.882 16.927 ( -4.275 -4.875 2.548) 6.967 17.569 ( -4.589 13.019 -4.285) 14.454 18.262 ( 5.638 -9.621 -3.636) 11.729 19.358 ( 27.172 12.771 -22.967) 37.801 20.805 ( -22.700 14.025 17.140) 31.713 21.842 ( 7.748 16.825 -0.726) 18.537 22.191 ( -25.119 -11.911 -0.604) 27.806 23.677 ( 1.156 3.103 0.007) 3.311 24.008 ( 3.075 -7.045 0.161) 7.688 24.230 ( -1.774 -8.035 6.353) 10.395 ======================= Grid point 379 (173/204) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 23.042 4.846 6.063) 24.315 2.625 ( 13.460 4.939 3.779) 14.827 3.169 ( 0.258 -21.064 -22.970) 31.167 3.728 ( 1.393 -7.713 16.185) 17.983 4.324 ( 14.261 -11.281 6.545) 19.326 4.506 ( 18.434 -5.815 -4.305) 19.803 4.919 ( 6.845 2.800 -3.325) 8.109 5.156 ( 6.668 -6.393 3.697) 9.950 5.806 ( 4.217 -1.714 3.072) 5.492 6.189 ( -15.515 5.672 -16.179) 23.123 6.423 ( 2.206 -3.662 -3.543) 5.552 6.638 ( 0.112 -0.154 -2.123) 2.132 6.830 ( 7.178 7.548 5.432) 11.747 7.159 ( 2.093 5.506 -0.154) 5.892 7.748 ( 1.408 -5.410 -3.209) 6.446 7.857 ( 8.641 -3.522 -4.446) 10.336 8.211 ( -9.937 4.554 6.326) 12.630 8.343 ( 2.366 4.915 2.721) 6.096 8.496 ( 7.962 -4.317 -4.832) 10.265 8.707 ( 3.886 -3.757 3.416) 6.394 8.859 ( 5.297 5.933 -3.496) 8.687 8.966 ( -8.882 2.677 0.484) 9.289 9.273 ( -3.878 2.538 -3.429) 5.765 9.572 ( 1.132 5.596 0.658) 5.747 9.889 ( -4.705 5.592 6.603) 9.849 10.278 ( 5.530 4.297 -1.376) 7.137 10.413 ( 3.886 3.008 1.563) 5.157 10.582 ( -0.827 -1.821 1.273) 2.371 10.605 ( 1.622 -0.432 6.793) 6.997 10.870 ( 2.371 0.990 -7.870) 8.279 10.891 ( -7.635 1.743 -0.216) 7.834 11.078 ( 0.987 3.869 0.446) 4.018 11.219 ( 5.935 1.934 4.960) 7.973 11.539 ( -7.445 -1.559 0.894) 7.659 11.576 ( 2.479 1.427 0.610) 2.924 11.710 ( 4.139 -4.283 4.199) 7.288 11.909 ( 0.626 -2.754 -5.626) 6.295 12.181 ( 9.817 1.177 -1.205) 9.960 12.489 ( -11.717 -1.946 10.586) 15.910 12.638 ( -4.082 -2.091 -0.615) 4.628 12.763 ( 2.491 2.840 -0.048) 3.778 13.067 ( -1.592 2.754 -0.198) 3.187 13.444 ( -3.577 -0.429 -2.391) 4.323 13.533 ( 5.077 4.631 -3.906) 7.904 13.773 ( -3.979 -7.380 -1.389) 8.499 14.150 ( 5.548 -6.193 2.822) 8.781 14.392 ( 2.973 4.882 -4.697) 7.398 14.481 ( -4.657 -3.590 -0.047) 5.880 14.601 ( 0.281 -4.114 -4.614) 6.189 14.839 ( -11.062 -2.110 -7.311) 13.426 15.042 ( 8.024 4.214 -3.704) 9.791 15.256 ( -2.432 1.321 9.518) 9.913 15.475 ( 6.554 -0.135 4.258) 7.817 15.647 ( -2.996 -2.280 7.085) 8.023 16.248 ( -4.440 -2.795 -2.486) 5.806 16.437 ( -0.610 4.050 2.805) 4.964 16.912 ( -5.811 -6.901 0.981) 9.075 17.332 ( -4.199 15.806 -5.544) 17.268 18.460 ( 7.701 -9.919 -2.046) 12.723 19.548 ( 25.628 14.158 -24.505) 38.180 20.390 ( -27.223 4.274 21.751) 35.107 21.800 ( 11.031 21.656 -0.757) 24.315 21.942 ( -21.978 -16.359 -2.059) 27.476 23.664 ( 0.171 1.537 0.128) 1.552 24.119 ( 2.967 -5.200 -0.512) 6.009 24.283 ( -1.783 -4.661 3.941) 6.359 ======================= Grid point 380 (174/204) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 8.997 6.504 14.892) 18.574 2.807 ( 7.948 0.269 -7.325) 10.813 3.308 ( 2.196 -20.403 -13.437) 24.529 3.725 ( -7.348 4.408 6.880) 10.989 4.612 ( 7.899 2.773 3.036) 8.905 4.731 ( 12.085 -1.416 8.323) 14.742 4.975 ( -2.031 -5.130 -10.703) 12.042 5.251 ( 0.859 -0.258 -0.505) 1.029 5.783 ( -7.010 2.229 -0.389) 7.366 6.125 ( 9.764 -6.920 1.217) 12.029 6.404 ( -5.758 -0.230 -3.062) 6.526 6.618 ( -1.002 -0.218 -1.304) 1.660 6.825 ( 1.588 7.186 -0.633) 7.387 7.176 ( 1.721 -0.372 -0.257) 1.779 7.755 ( -1.225 0.064 -0.802) 1.465 8.015 ( 7.111 -3.178 -6.002) 9.833 8.094 ( -2.741 2.514 7.346) 8.233 8.332 ( 0.863 1.976 0.827) 2.309 8.639 ( 3.966 -4.718 -4.612) 7.698 8.749 ( -5.693 4.273 5.795) 9.178 8.832 ( 0.453 -1.287 -0.586) 1.485 8.920 ( 3.102 1.399 0.326) 3.419 9.229 ( 1.217 -0.745 -3.386) 3.674 9.576 ( 4.948 0.525 -1.319) 5.148 9.732 ( -8.932 6.634 4.288) 11.924 10.345 ( 8.216 2.992 -4.402) 9.789 10.423 ( -4.997 -1.569 4.778) 7.089 10.543 ( 1.839 1.603 -1.625) 2.931 10.678 ( 0.613 -0.238 0.581) 0.877 10.693 ( -7.143 1.855 2.181) 7.695 10.893 ( -0.066 -0.955 -1.979) 2.198 11.112 ( 3.406 1.270 0.582) 3.682 11.269 ( 0.987 2.121 1.412) 2.733 11.464 ( -3.677 -2.197 0.280) 4.293 11.611 ( 1.048 -0.915 1.708) 2.203 11.873 ( 9.114 0.689 1.101) 9.206 11.942 ( 0.155 -5.159 -4.061) 6.567 12.301 ( 3.312 -0.365 0.291) 3.345 12.339 ( -7.522 1.691 4.544) 8.949 12.593 ( -2.048 -0.422 -0.236) 2.105 12.740 ( -1.049 1.720 0.558) 2.090 13.037 ( -0.207 1.091 -0.173) 1.124 13.382 ( -2.564 -0.444 -1.217) 2.873 13.575 ( 4.467 1.486 0.361) 4.722 13.736 ( -4.286 -1.643 -1.246) 4.756 14.329 ( 5.042 0.012 0.273) 5.050 14.357 ( 0.383 -1.095 3.455) 3.644 14.466 ( 0.311 -2.141 -4.437) 4.936 14.579 ( -3.800 -0.727 -3.083) 4.946 14.710 ( -3.538 -1.581 -3.406) 5.159 15.090 ( 3.867 2.251 -4.402) 6.276 15.242 ( -1.488 0.594 5.266) 5.505 15.551 ( 4.908 1.658 0.440) 5.199 15.625 ( -5.839 -1.162 4.524) 7.477 16.274 ( 0.547 -3.917 2.412) 4.633 16.424 ( 0.926 1.856 1.392) 2.498 16.907 ( -3.767 -8.083 0.359) 8.925 17.108 ( -1.750 12.604 -4.175) 13.392 18.640 ( 4.146 -5.025 -0.290) 6.521 19.707 ( 20.994 11.262 -20.300) 31.300 20.055 ( -22.971 -3.973 19.264) 30.242 21.754 ( 6.526 15.090 -0.114) 16.441 21.819 ( -10.297 -12.772 -1.158) 16.447 23.656 ( -0.018 0.457 0.068) 0.463 24.191 ( 1.432 -2.002 -0.496) 2.511 24.302 ( -0.904 -1.424 1.555) 2.295 ======================= Grid point 387 (175/204) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 18.351 0.000 -30.207) 35.344 2.264 ( 26.478 0.000 -16.940) 31.433 2.633 ( 19.437 0.000 7.775) 20.934 3.100 ( 20.355 0.000 27.525) 34.234 3.317 ( -3.316 -0.000 21.005) 21.266 3.332 ( 11.943 0.000 -37.843) 39.683 4.395 ( 6.563 0.000 -1.115) 6.657 4.855 ( 16.849 0.000 15.216) 22.703 5.831 ( -5.857 -0.000 5.009) 7.707 6.041 ( 16.260 0.000 -14.879) 22.041 6.264 ( 9.530 0.000 4.967) 10.747 6.791 ( 2.605 0.000 12.718) 12.982 7.258 ( 0.844 0.000 -13.286) 13.312 7.360 ( 2.932 0.000 1.816) 3.449 7.685 ( -8.414 -0.000 -8.814) 12.185 7.693 ( -6.773 -0.000 -8.978) 11.247 7.896 ( 0.844 0.000 1.985) 2.157 8.432 ( -0.034 -0.000 1.094) 1.095 8.621 ( -2.568 -0.000 -6.004) 6.530 8.724 ( -7.186 -0.000 -5.422) 9.002 9.268 ( -12.341 -0.000 -4.462) 13.123 9.288 ( -2.258 -0.000 -14.564) 14.738 9.523 ( -1.915 -0.000 1.211) 2.266 9.579 ( 7.352 0.000 16.431) 18.001 9.928 ( 9.256 0.000 -1.347) 9.354 10.042 ( -5.730 -0.000 6.352) 8.554 10.325 ( 7.052 0.000 7.087) 9.998 10.328 ( 4.918 0.000 4.293) 6.528 10.663 ( 4.238 0.000 -8.573) 9.563 10.669 ( 5.547 0.000 3.635) 6.632 10.868 ( -3.360 -0.000 6.456) 7.278 11.310 ( 9.510 0.000 1.292) 9.598 11.395 ( -3.872 -0.000 -1.202) 4.054 11.583 ( -5.958 -0.000 -1.454) 6.133 11.646 ( -10.519 -0.000 6.085) 12.153 11.900 ( -6.810 -0.000 1.637) 7.004 11.962 ( 8.695 0.000 0.725) 8.725 12.011 ( -3.347 -0.000 -2.595) 4.235 12.377 ( 16.770 0.000 2.566) 16.965 12.599 ( -12.942 -0.000 -5.848) 14.202 12.671 ( -6.373 -0.000 1.220) 6.488 13.154 ( 14.996 0.000 -7.756) 16.883 13.443 ( 3.699 0.000 -5.623) 6.730 13.557 ( -5.810 -0.000 -0.178) 5.813 13.660 ( -9.126 -0.000 -4.785) 10.304 14.128 ( 31.191 0.000 14.015) 34.195 14.210 ( -3.081 -0.000 6.612) 7.294 14.320 ( -0.242 -0.000 -6.339) 6.344 14.565 ( -2.621 -0.000 3.297) 4.212 14.688 ( -7.059 -0.000 1.944) 7.322 15.199 ( 0.988 0.000 2.973) 3.133 15.210 ( 7.930 0.000 -2.841) 8.423 15.291 ( -7.827 -0.000 -3.919) 8.754 15.631 ( 1.263 0.000 1.359) 1.855 16.619 ( -2.531 -0.000 -2.628) 3.649 16.725 ( -5.437 -0.000 10.013) 11.394 17.032 ( -19.884 -0.000 -19.292) 27.705 17.928 ( -2.766 -0.000 -4.934) 5.657 17.977 ( 1.287 0.000 -0.467) 1.369 19.214 ( 29.223 0.000 -20.412) 35.646 21.544 ( -8.096 -0.000 -4.633) 9.327 21.942 ( -16.359 -0.000 5.627) 17.300 22.415 ( -19.405 -0.000 15.647) 24.928 23.783 ( -0.119 -0.000 2.172) 2.175 23.826 ( 4.294 0.000 -2.887) 5.174 23.926 ( 4.088 0.000 9.357) 10.211 ======================= Grid point 388 (176/204) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 23.809 13.415 -26.217) 37.870 2.589 ( 18.706 -5.793 -21.359) 28.977 2.858 ( 9.677 3.085 -1.875) 10.328 3.349 ( 11.766 3.653 24.562) 27.478 3.602 ( 10.721 -17.031 17.761) 26.841 3.713 ( 31.752 -11.002 -10.344) 35.160 4.555 ( 10.355 -5.124 3.478) 12.065 5.153 ( 14.252 3.666 7.560) 16.545 5.778 ( -1.851 0.433 3.805) 4.253 6.233 ( 12.202 -1.524 -10.273) 16.023 6.429 ( 7.079 -0.080 0.278) 7.085 6.769 ( -9.612 -0.153 0.790) 9.646 7.101 ( -5.089 14.103 -11.294) 18.771 7.413 ( -0.494 4.389 -0.841) 4.496 7.482 ( 1.689 -2.104 -7.692) 8.152 7.659 ( -1.558 -8.831 -6.505) 11.078 8.007 ( 7.931 -3.127 4.705) 9.737 8.476 ( 2.072 -0.481 14.067) 14.227 8.573 ( -1.118 2.678 -6.453) 7.076 8.617 ( -4.603 -0.026 -3.951) 6.067 9.057 ( -7.997 2.240 -5.350) 9.879 9.169 ( -3.166 3.710 -11.609) 12.592 9.454 ( -5.230 1.870 -0.808) 5.613 9.705 ( 5.081 5.906 10.985) 13.467 9.985 ( -1.706 1.604 6.697) 7.095 10.146 ( 6.864 -11.594 -3.053) 13.815 10.400 ( 5.954 5.454 8.302) 11.581 10.462 ( 6.169 1.704 5.923) 8.720 10.668 ( -0.298 2.778 -0.034) 2.794 10.766 ( 1.837 -5.415 -3.038) 6.475 10.902 ( 6.568 0.581 0.322) 6.602 11.279 ( -2.795 7.900 3.415) 9.049 11.383 ( -8.641 2.229 0.846) 8.964 11.499 ( 3.296 -2.632 1.961) 4.652 11.587 ( -0.949 0.586 1.372) 1.768 11.743 ( -11.301 1.334 0.721) 11.403 11.932 ( -4.213 -0.623 -6.216) 7.535 12.100 ( 9.570 2.956 1.032) 10.069 12.437 ( -7.748 -6.047 5.195) 11.117 12.621 ( -2.416 -1.064 3.417) 4.318 12.682 ( 14.584 -0.452 -2.395) 14.786 13.214 ( -2.619 2.352 -1.129) 3.697 13.463 ( -7.912 -5.577 -9.303) 13.426 13.525 ( 3.865 -0.499 -1.478) 4.168 13.593 ( 9.739 1.721 -5.093) 11.124 14.088 ( -8.485 1.367 3.272) 9.197 14.295 ( -3.116 -7.294 -7.066) 10.623 14.457 ( 1.926 -0.880 -3.433) 4.034 14.599 ( -1.727 2.033 4.042) 4.843 14.818 ( 21.231 -0.811 19.594) 28.902 15.057 ( -11.787 -0.884 -8.683) 14.667 15.279 ( 1.002 1.136 6.083) 6.268 15.295 ( 4.595 -0.433 2.070) 5.058 15.655 ( 0.963 0.392 0.695) 1.250 16.485 ( -15.259 3.496 -13.052) 20.382 16.560 ( -5.541 0.385 0.107) 5.556 16.837 ( -5.625 -3.225 2.174) 6.838 17.817 ( -0.363 11.920 -3.301) 12.374 18.057 ( 2.103 -10.895 -3.424) 11.612 19.534 ( 25.392 4.541 -23.395) 34.824 21.188 ( -22.231 23.464 7.341) 33.146 21.669 ( -24.447 -22.392 -0.816) 33.162 22.338 ( 1.714 11.715 14.693) 18.870 23.742 ( -2.503 2.780 0.428) 3.765 23.898 ( 4.675 -2.604 -0.827) 5.415 24.050 ( 1.444 -8.206 4.381) 9.414 ======================= Grid point 389 (177/204) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 22.797 0.880 -18.150) 29.153 2.796 ( 15.659 5.521 -11.277) 20.071 2.939 ( 7.358 4.292 -4.606) 9.684 3.630 ( 9.965 -1.084 21.305) 23.545 4.032 ( 15.030 -16.328 10.595) 24.592 4.302 ( 27.655 -12.899 -3.086) 30.671 4.843 ( 11.763 -6.221 12.394) 18.185 5.269 ( 8.200 10.355 0.225) 13.211 5.786 ( 1.141 0.085 2.613) 2.853 6.309 ( -16.910 6.480 -14.133) 22.972 6.348 ( 1.047 -2.720 -6.797) 7.395 6.621 ( -0.347 -3.521 -6.911) 7.764 6.937 ( 0.082 4.712 -0.560) 4.745 7.310 ( -1.227 9.037 -2.600) 9.483 7.611 ( 6.749 -7.457 -2.242) 10.304 7.753 ( 4.595 -7.207 -3.434) 9.211 8.185 ( 3.111 -3.064 9.019) 10.020 8.474 ( -2.737 3.847 0.270) 4.729 8.510 ( 0.517 5.382 -5.342) 7.601 8.625 ( 3.429 -3.571 12.070) 13.046 8.955 ( -0.455 1.853 -4.117) 4.537 9.023 ( -5.251 4.254 -7.132) 9.825 9.324 ( -6.519 2.070 -3.342) 7.613 9.730 ( 3.230 9.325 5.831) 11.462 9.971 ( -1.918 2.515 5.917) 6.709 10.285 ( 3.383 -4.898 -7.089) 9.257 10.491 ( 2.315 4.237 4.193) 6.395 10.551 ( 6.702 1.497 7.548) 10.205 10.617 ( -3.677 0.323 5.653) 6.751 10.829 ( 3.653 -2.670 -6.178) 7.658 10.963 ( -0.315 2.000 -8.413) 8.653 11.163 ( -8.144 4.015 2.280) 9.362 11.249 ( 1.862 1.918 5.487) 6.104 11.527 ( -10.257 -0.150 4.199) 11.084 11.561 ( -3.377 -1.956 3.828) 5.467 11.695 ( 12.604 2.184 -0.751) 12.814 11.866 ( -1.534 -1.963 -6.553) 7.011 12.222 ( 8.912 2.604 -0.437) 9.295 12.412 ( -6.289 -4.700 5.966) 9.860 12.605 ( -3.334 -1.413 4.580) 5.839 12.827 ( 5.007 3.413 -0.171) 6.062 13.116 ( -5.396 2.379 0.757) 5.946 13.340 ( -8.731 -7.820 -4.634) 12.604 13.647 ( 4.489 -3.821 1.674) 6.128 13.689 ( 7.392 8.190 -3.438) 11.556 14.030 ( 2.140 -4.764 -1.196) 5.358 14.304 ( -5.037 -11.720 -3.546) 13.240 14.450 ( 1.617 1.374 -8.440) 8.703 14.578 ( -1.269 -0.173 1.414) 1.908 14.799 ( -12.169 -1.621 -9.307) 15.406 15.140 ( 9.678 4.417 3.046) 11.066 15.292 ( 0.287 2.292 4.336) 4.913 15.453 ( 8.857 -1.599 14.358) 16.946 15.645 ( -1.746 1.605 1.831) 2.996 16.205 ( -10.338 -1.497 -7.794) 13.033 16.491 ( -2.649 1.306 1.681) 3.398 16.780 ( -8.722 -5.632 1.923) 10.559 17.652 ( -1.035 15.835 -5.283) 16.725 18.239 ( 7.450 -12.304 -1.858) 14.503 19.765 ( 22.936 6.825 -23.491) 33.533 20.586 ( -31.957 15.144 13.535) 37.866 21.538 ( -18.849 -19.556 -0.949) 27.178 22.293 ( 6.999 21.416 9.897) 24.608 23.682 ( -3.104 -0.041 0.278) 3.116 24.009 ( 4.482 -4.956 -0.887) 6.741 24.160 ( 1.333 -6.870 1.819) 7.231 ======================= Grid point 390 (178/204) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -3.442 -12.731 -22.060) 25.702 2.974 ( 6.780 9.051 5.246) 12.467 3.029 ( 31.332 10.819 0.267) 33.148 3.810 ( 4.098 4.163 16.006) 17.039 4.506 ( 20.243 -14.086 4.016) 24.986 4.729 ( 13.099 -3.734 1.485) 13.702 4.979 ( -2.142 5.592 2.670) 6.557 5.315 ( 8.681 7.663 0.315) 11.583 5.798 ( -10.950 -0.255 4.064) 11.683 5.963 ( 0.028 -5.220 -8.546) 10.014 6.330 ( -6.936 -4.877 -2.108) 8.737 6.625 ( 0.372 -0.340 -4.326) 4.356 6.961 ( 2.357 -4.681 -4.882) 7.162 7.154 ( -5.316 8.574 -5.635) 11.555 7.777 ( 5.928 -0.753 5.695) 8.255 7.893 ( 5.934 -7.938 -7.099) 12.191 8.146 ( -7.845 3.405 9.241) 12.591 8.427 ( 0.582 6.121 -4.395) 7.558 8.537 ( 4.664 -4.043 -1.472) 6.346 8.766 ( 2.416 -2.829 12.768) 13.299 8.843 ( -9.270 2.529 0.694) 9.634 8.940 ( -0.420 0.670 -4.312) 4.384 9.230 ( 0.351 0.811 -5.006) 5.084 9.687 ( 2.134 9.617 1.634) 9.986 9.881 ( -6.608 6.948 3.821) 10.322 10.353 ( 4.257 -2.391 -6.271) 7.947 10.412 ( -6.878 1.034 0.931) 7.017 10.597 ( 3.045 2.707 -0.401) 4.094 10.672 ( 1.332 -0.467 7.034) 7.174 10.760 ( -11.343 5.146 -1.024) 12.498 10.883 ( 3.982 -0.083 -4.960) 6.361 11.117 ( -0.712 -2.790 -2.657) 3.918 11.297 ( -2.397 1.777 1.472) 3.327 11.408 ( -1.138 -1.692 1.861) 2.760 11.575 ( -0.294 -2.331 5.484) 5.966 11.868 ( 0.974 -2.674 -4.331) 5.182 11.913 ( 16.127 2.711 0.186) 16.354 12.311 ( 2.741 1.176 -1.675) 3.421 12.357 ( -3.552 0.157 2.118) 4.138 12.588 ( -2.666 -0.328 7.635) 8.094 12.791 ( -3.448 3.512 0.126) 4.923 13.018 ( -6.164 -2.324 -1.569) 6.772 13.301 ( -4.577 -6.738 0.212) 8.148 13.669 ( 2.684 7.089 3.084) 8.184 13.719 ( 1.225 0.289 0.048) 1.259 14.213 ( 8.628 -9.008 1.201) 12.531 14.308 ( -5.922 -7.464 -1.396) 9.630 14.402 ( -1.471 -1.960 -13.279) 13.503 14.569 ( -0.722 -0.008 0.608) 0.944 14.685 ( 1.490 -0.836 -5.449) 5.711 15.167 ( -0.092 4.479 0.124) 4.481 15.287 ( 1.376 3.283 0.907) 3.673 15.587 ( 2.988 1.829 -0.685) 3.570 15.606 ( -3.603 -0.306 6.347) 7.305 16.153 ( -0.932 -6.367 4.666) 7.949 16.468 ( -0.411 1.437 3.708) 3.998 16.707 ( -8.338 -9.108 -0.236) 12.351 17.437 ( -1.533 17.071 -7.663) 18.775 18.493 ( 9.777 -9.366 0.302) 13.543 19.956 ( 23.460 9.315 -26.474) 36.579 20.012 ( -35.336 3.283 19.232) 40.365 21.432 ( -16.902 -16.930 2.127) 24.017 22.240 ( 10.802 23.801 6.135) 26.848 23.648 ( -2.558 -1.575 0.705) 3.086 24.119 ( 3.469 -4.637 -1.060) 5.887 24.241 ( 1.475 -4.236 0.195) 4.490 ======================= Grid point 391 (179/204) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -11.099 -5.479 -21.433) 24.750 2.953 ( -0.009 12.917 7.006) 14.695 3.488 ( 26.358 1.858 8.033) 27.617 3.821 ( 3.091 13.350 10.111) 17.029 4.652 ( -7.974 6.934 -8.152) 13.346 4.801 ( -9.499 5.564 -6.899) 12.992 5.013 ( 14.925 -3.310 13.370) 20.309 5.306 ( 2.758 6.306 -5.566) 8.852 5.707 ( -1.281 -5.281 6.688) 8.618 6.139 ( -5.498 -6.113 4.454) 9.351 6.256 ( -0.922 -11.040 1.277) 11.152 6.630 ( 2.570 0.336 -2.792) 3.809 6.919 ( -3.241 13.853 0.864) 14.254 7.043 ( -3.186 -12.078 -12.592) 17.737 7.831 ( 1.268 5.806 9.328) 11.060 7.989 ( -1.082 -5.443 -4.003) 6.843 8.049 ( -6.207 -0.887 2.170) 6.635 8.355 ( -0.732 3.127 -7.397) 8.064 8.616 ( 0.919 -6.142 -4.368) 7.593 8.724 ( -1.862 1.558 6.741) 7.165 8.842 ( -3.280 -0.818 7.957) 8.645 8.892 ( -3.429 -1.219 0.063) 3.640 9.249 ( 1.490 1.035 0.009) 1.814 9.637 ( -4.205 4.278 0.489) 6.019 9.714 ( 1.746 6.949 -2.518) 7.594 10.278 ( -9.655 -2.997 2.452) 10.403 10.428 ( 2.307 -1.629 -7.247) 7.778 10.555 ( -3.834 2.545 -0.462) 4.625 10.667 ( 4.663 -0.625 0.230) 4.710 10.690 ( -1.640 0.568 3.327) 3.752 10.922 ( 3.621 2.083 -1.604) 4.474 11.109 ( -1.603 -0.505 -3.995) 4.334 11.186 ( -8.314 -4.589 -2.329) 9.778 11.480 ( 4.569 -0.150 0.408) 4.590 11.608 ( -1.167 -0.805 3.599) 3.868 11.878 ( -0.374 0.605 -1.674) 1.819 12.070 ( 3.295 7.093 4.502) 9.024 12.302 ( 4.321 -1.448 -6.864) 8.239 12.328 ( -0.491 2.138 -3.500) 4.131 12.602 ( 1.547 0.164 5.136) 5.366 12.720 ( -2.253 -0.297 1.160) 2.551 12.970 ( -3.722 -5.313 1.139) 6.586 13.311 ( -3.072 -6.240 1.532) 7.122 13.621 ( -2.345 4.952 -0.097) 5.480 13.766 ( 6.115 1.269 3.836) 7.329 14.263 ( -4.576 -4.828 -1.296) 6.777 14.357 ( -2.037 -1.917 -8.751) 9.187 14.429 ( 3.816 -6.675 5.030) 9.188 14.575 ( 2.511 0.181 1.553) 2.958 14.752 ( 7.980 2.087 -1.497) 8.383 15.090 ( -5.756 1.927 4.641) 7.641 15.273 ( 1.507 3.222 -4.127) 5.449 15.526 ( -5.533 -0.796 -0.479) 5.610 15.643 ( 5.949 0.476 -4.690) 7.590 16.236 ( -0.158 -5.497 -0.369) 5.512 16.451 ( -2.420 2.296 5.840) 6.726 16.745 ( -0.483 -12.761 3.494) 13.240 17.235 ( 0.470 13.947 -7.063) 15.640 18.678 ( 4.433 -1.162 0.837) 4.659 19.545 ( -31.234 -5.078 17.123) 35.980 20.154 ( 22.218 5.809 -21.899) 31.733 21.361 ( -14.565 -17.479 4.938) 23.282 22.236 ( 14.609 22.154 4.546) 26.924 23.633 ( -1.987 -1.997 0.849) 2.942 24.189 ( 1.208 -1.981 -0.402) 2.355 24.296 ( 2.284 -1.734 -2.022) 3.509 ======================= Grid point 392 (180/204) ======================= q-point: (-0.45 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -12.828 -3.135 -19.721) 23.734 2.752 ( -10.131 15.432 5.441) 19.245 3.625 ( -0.006 22.965 17.606) 28.937 3.905 ( 12.800 9.467 -7.781) 17.720 4.402 ( -10.800 -3.145 -1.484) 11.346 4.549 ( -10.553 5.796 -4.499) 12.853 5.003 ( -11.879 9.877 9.321) 18.043 5.350 ( 5.918 9.564 -2.661) 11.557 5.801 ( -3.616 -3.623 -2.238) 5.587 6.065 ( 2.031 -7.069 12.677) 14.656 6.399 ( -2.764 -9.214 2.414) 9.918 6.668 ( 1.200 1.311 2.631) 3.175 6.752 ( -5.667 5.594 -0.035) 7.963 7.042 ( -2.162 -7.590 -11.055) 13.583 7.812 ( -4.443 1.098 0.426) 4.597 7.919 ( -6.944 3.588 10.591) 13.163 8.038 ( 2.230 -9.195 -5.299) 10.844 8.303 ( 0.635 -1.142 -8.295) 8.398 8.626 ( -5.601 4.274 4.433) 8.324 8.673 ( -10.299 -3.861 -0.210) 11.001 8.845 ( -0.605 1.307 0.836) 1.665 8.882 ( 5.537 -4.007 4.847) 8.379 9.248 ( 0.622 0.339 3.214) 3.291 9.533 ( -1.562 1.607 0.072) 2.242 9.786 ( 6.539 -3.172 -6.186) 9.544 10.182 ( -7.640 -4.627 0.510) 8.947 10.360 ( -7.334 -2.778 -3.676) 8.661 10.571 ( 3.848 -0.583 -2.384) 4.564 10.651 ( -2.356 1.712 -0.563) 2.966 10.789 ( 4.398 -3.907 4.841) 7.618 10.929 ( 1.816 2.927 -1.763) 3.869 11.048 ( -1.467 1.110 -2.127) 2.812 11.131 ( -6.427 -7.221 -5.299) 11.024 11.529 ( -0.186 -1.843 -0.436) 1.903 11.578 ( -3.460 0.828 3.552) 5.027 11.834 ( 2.375 7.643 -3.520) 8.744 11.984 ( -4.727 4.763 3.556) 7.594 12.176 ( -9.038 0.547 1.662) 9.206 12.485 ( 12.704 -1.640 -12.577) 17.952 12.661 ( 3.433 -1.224 -7.077) 7.961 12.728 ( 1.060 -0.098 7.163) 7.242 13.006 ( 0.284 -3.431 5.585) 6.561 13.323 ( -5.365 -8.153 2.108) 9.985 13.556 ( -0.284 3.091 0.804) 3.207 13.887 ( 8.753 3.143 3.774) 10.037 14.219 ( -5.318 -1.933 -2.785) 6.307 14.292 ( -3.226 -1.485 -4.094) 5.420 14.499 ( 0.437 -0.354 3.534) 3.579 14.659 ( 2.710 -0.646 6.138) 6.740 14.886 ( 10.239 3.099 3.273) 11.187 14.998 ( -6.063 -0.551 7.329) 9.528 15.243 ( 0.658 0.212 -9.152) 9.178 15.473 ( -1.559 0.131 -1.915) 2.472 15.702 ( 5.309 2.238 -8.443) 10.222 16.255 ( 0.122 -4.337 -6.221) 7.585 16.398 ( -2.739 2.527 5.021) 6.253 16.925 ( 2.891 -10.399 5.388) 12.064 17.158 ( 4.731 3.338 -3.055) 6.546 18.627 ( -6.935 6.950 2.231) 10.069 19.269 ( -24.513 -12.844 18.330) 33.194 20.380 ( 22.077 2.101 -21.749) 31.061 21.358 ( -11.862 -19.878 6.593) 24.069 22.318 ( 18.853 19.226 4.445) 27.292 23.628 ( -1.732 -2.212 0.629) 2.879 24.191 ( -0.951 1.862 0.581) 2.170 24.333 ( 3.068 0.496 -4.716) 5.648 ======================= Grid point 393 (181/204) ======================= q-point: (-0.36 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -12.296 -0.294 -14.262) 18.833 2.432 ( -12.966 11.656 4.422) 17.987 3.356 ( -13.899 21.869 11.112) 28.194 3.689 ( -11.448 14.478 -18.622) 26.219 4.240 ( -8.667 12.790 3.579) 15.860 4.413 ( -6.442 11.620 13.394) 18.866 4.791 ( -5.950 0.118 4.833) 7.667 5.174 ( -4.882 16.495 -5.521) 18.067 5.740 ( -2.298 -2.238 -0.641) 3.271 6.273 ( -6.971 -6.489 10.752) 14.364 6.389 ( -6.197 -4.604 2.129) 8.008 6.580 ( -7.723 -3.060 -10.569) 13.443 6.689 ( 3.203 -1.823 9.348) 10.048 7.112 ( 8.070 -4.143 -4.668) 10.202 7.677 ( -9.028 -1.935 -4.854) 10.431 7.813 ( -6.316 5.651 6.754) 10.837 8.167 ( -3.139 -11.539 -5.856) 13.315 8.338 ( -8.924 7.543 3.423) 12.176 8.436 ( 8.805 -7.451 1.522) 11.635 8.673 ( -0.664 -3.088 3.674) 4.845 8.806 ( 0.294 2.395 5.251) 5.779 9.083 ( 10.437 -3.851 -0.804) 11.154 9.298 ( 1.777 -3.091 0.050) 3.566 9.539 ( 0.798 -1.930 0.925) 2.284 9.870 ( 2.241 -4.033 -6.428) 7.912 10.134 ( -4.520 -5.968 -2.978) 8.057 10.251 ( -8.787 -5.213 -5.993) 11.845 10.557 ( -3.731 4.236 1.360) 5.806 10.635 ( 2.891 -0.409 -1.597) 3.328 10.809 ( -4.902 -1.690 3.127) 6.055 10.950 ( -3.826 2.748 3.994) 6.176 11.050 ( -4.366 -5.855 -7.474) 10.450 11.095 ( 7.165 -4.029 -1.426) 8.343 11.458 ( -8.240 -0.470 3.383) 8.919 11.592 ( 0.561 -3.507 -1.199) 3.748 11.778 ( -0.843 2.064 -3.051) 3.779 11.942 ( 5.117 4.056 -0.436) 6.544 12.074 ( -4.269 1.779 5.387) 7.100 12.608 ( 1.330 -1.877 -5.274) 5.754 12.628 ( 0.104 -1.642 -9.946) 10.081 12.803 ( 6.161 3.555 0.941) 7.175 13.074 ( 0.622 -2.004 6.979) 7.288 13.320 ( -5.448 -6.673 4.191) 9.579 13.548 ( 0.814 -0.429 -0.235) 0.950 13.971 ( 5.905 10.501 3.759) 12.620 14.169 ( 4.013 2.469 -2.603) 5.383 14.250 ( -6.701 -8.474 -3.770) 11.443 14.468 ( -7.590 1.064 3.547) 8.445 14.691 ( 1.634 3.459 5.005) 6.299 14.914 ( 0.564 1.993 0.510) 2.134 15.113 ( 9.831 0.046 4.813) 10.946 15.205 ( -2.065 -1.839 -7.102) 7.621 15.412 ( -2.004 6.141 -2.110) 6.796 15.700 ( 3.406 3.927 -6.748) 8.518 16.336 ( 6.284 -6.755 -0.437) 9.237 16.398 ( 0.635 -2.373 4.165) 4.835 16.996 ( 1.053 0.815 -2.882) 3.175 17.318 ( 7.083 -11.233 3.415) 13.712 18.424 ( -9.981 6.290 5.439) 12.991 19.090 ( -23.821 -12.317 16.353) 31.410 20.638 ( 19.790 -3.720 -19.989) 28.373 21.416 ( -10.218 -21.190 7.019) 24.550 22.498 ( 22.701 15.740 4.496) 27.988 23.623 ( -2.050 -2.480 0.220) 3.225 24.136 ( -1.601 5.318 0.981) 5.640 24.339 ( 2.813 3.096 -7.177) 8.307 ======================= Grid point 394 (182/204) ======================= q-point: (-0.27 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -11.219 1.405 3.419) 11.813 2.201 ( -9.066 -1.151 -4.695) 10.274 2.848 ( -26.465 18.583 5.079) 32.734 3.210 ( -19.529 14.156 -20.814) 31.859 3.997 ( -7.079 20.020 23.585) 31.736 4.150 ( -4.305 25.628 7.046) 26.926 4.699 ( -4.038 8.329 -3.860) 10.029 4.973 ( -3.076 9.573 -3.601) 10.680 5.762 ( 0.971 -3.143 1.228) 3.511 6.088 ( -15.238 1.741 2.496) 15.539 6.235 ( -12.848 -2.320 -0.769) 13.078 6.489 ( -7.230 -11.797 -13.863) 19.586 7.000 ( 13.019 -13.042 17.202) 25.209 7.284 ( 9.899 -0.049 -0.544) 9.915 7.547 ( -6.762 -2.747 -6.777) 9.960 7.668 ( -8.015 3.579 5.396) 10.304 8.077 ( -6.924 1.736 -2.169) 7.460 8.221 ( -6.791 -7.158 0.997) 9.917 8.668 ( 5.231 -1.225 2.361) 5.868 8.755 ( 7.206 -1.651 4.400) 8.603 8.946 ( 11.140 -7.824 8.584) 16.094 9.261 ( 7.766 0.492 0.512) 7.799 9.342 ( 2.224 -4.146 -5.910) 7.554 9.571 ( -0.958 -1.898 1.593) 2.656 9.901 ( 0.701 -3.809 -6.406) 7.485 10.056 ( -8.840 -4.624 -8.778) 13.288 10.191 ( -3.811 -6.798 0.462) 7.807 10.469 ( -1.279 7.392 5.040) 9.038 10.664 ( 0.960 0.491 -3.915) 4.061 10.756 ( -6.126 -1.945 -1.200) 6.538 10.853 ( -3.085 0.703 6.282) 7.034 10.991 ( -4.817 -4.930 -8.388) 10.856 11.272 ( 1.946 -7.971 2.501) 8.578 11.370 ( -2.473 -2.144 0.199) 3.279 11.607 ( -1.484 -5.151 -2.329) 5.844 11.796 ( 2.213 -3.489 -0.465) 4.158 12.005 ( 3.906 5.244 0.805) 6.588 12.051 ( 3.664 1.656 3.669) 5.443 12.464 ( -10.914 -0.328 -5.475) 12.215 12.708 ( 5.038 -0.298 0.541) 5.076 12.856 ( 5.658 2.627 -4.792) 7.867 13.056 ( -7.481 -0.303 6.524) 9.931 13.366 ( 3.531 -2.510 4.647) 6.353 13.581 ( -0.302 -3.890 -2.522) 4.646 13.909 ( 1.421 13.638 3.052) 14.047 14.139 ( -14.050 -2.814 -9.317) 17.092 14.241 ( 5.023 1.969 -3.209) 6.278 14.366 ( 0.029 0.144 8.774) 8.776 14.688 ( 0.111 4.296 0.064) 4.298 14.917 ( 5.882 7.700 -1.038) 9.745 15.091 ( -9.403 -4.067 -1.453) 10.347 15.287 ( 1.262 7.039 -2.808) 7.683 15.319 ( 6.472 1.412 2.895) 7.229 15.688 ( 1.115 3.042 -2.593) 4.149 16.478 ( 2.733 -5.136 1.589) 6.031 16.586 ( 10.861 -8.715 5.538) 14.986 16.998 ( 3.681 -1.139 -1.407) 4.102 17.554 ( 5.480 -11.867 2.868) 13.382 18.256 ( -6.945 4.804 5.797) 10.243 18.866 ( -26.467 -11.585 13.356) 31.829 20.926 ( 16.603 -10.803 -16.173) 25.572 21.492 ( -9.853 -20.944 6.415) 24.018 22.760 ( 24.438 12.017 3.863) 27.505 23.607 ( -3.390 -2.778 -0.271) 4.391 24.053 ( -0.789 8.100 1.273) 8.237 24.292 ( 0.831 6.233 -9.562) 11.445 ======================= Grid point 395 (183/204) ======================= q-point: (-0.18 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -6.314 -5.615 15.019) 17.233 2.098 ( -9.122 -9.841 -10.930) 17.307 2.303 ( -17.474 18.196 13.587) 28.654 2.662 ( -18.583 12.104 -24.157) 32.793 3.825 ( -4.025 21.341 32.652) 39.215 3.879 ( 2.741 24.889 -8.051) 26.301 4.539 ( -1.197 13.035 3.072) 13.445 4.746 ( -7.108 12.380 -14.218) 20.148 5.797 ( -3.973 -3.132 6.520) 8.253 5.873 ( -8.191 0.088 -5.863) 10.073 6.155 ( 0.533 -3.469 5.740) 6.728 6.439 ( -7.571 -11.119 -12.132) 18.115 7.356 ( 2.917 4.748 8.517) 10.177 7.395 ( 7.657 -7.277 -0.697) 10.586 7.472 ( -3.082 -7.757 6.420) 10.530 7.610 ( -0.600 -8.985 -4.752) 10.181 7.997 ( -0.380 1.182 1.517) 1.960 8.181 ( -8.571 -8.245 0.275) 11.896 8.771 ( 6.737 -0.242 5.561) 8.739 8.915 ( 5.727 -5.988 -0.298) 8.291 9.219 ( 7.642 0.167 9.400) 12.116 9.282 ( -0.395 -2.346 3.934) 4.598 9.433 ( 2.926 -3.105 -10.021) 10.891 9.542 ( -3.679 -0.335 -2.972) 4.742 9.898 ( 2.135 -1.451 -7.961) 8.369 10.004 ( -2.918 -6.452 2.419) 7.483 10.216 ( 0.008 -1.932 4.388) 4.794 10.384 ( -1.497 9.116 -2.174) 9.490 10.610 ( -3.068 -0.110 -1.199) 3.296 10.683 ( -2.736 1.906 0.397) 3.357 10.871 ( 1.773 -1.297 -3.956) 4.525 10.950 ( -7.139 -9.804 1.117) 12.179 11.317 ( 0.283 -6.025 2.386) 6.487 11.441 ( -1.504 -10.294 -3.186) 10.880 11.675 ( 6.312 -3.387 -2.420) 7.561 11.879 ( 3.073 -1.606 2.226) 4.121 11.972 ( -2.043 0.929 0.536) 2.308 12.109 ( -1.191 1.892 1.744) 2.836 12.299 ( 1.004 4.884 -3.762) 6.246 12.766 ( -15.759 -3.318 -0.391) 16.109 12.826 ( 7.368 -0.394 5.111) 8.976 13.064 ( 10.758 4.378 -3.275) 12.068 13.433 ( -1.971 1.461 7.032) 7.447 13.476 ( -15.451 -1.731 -8.896) 17.912 13.832 ( 5.509 8.893 -0.874) 10.498 13.942 ( -1.843 7.641 2.150) 8.149 14.279 ( 3.328 0.724 -0.958) 3.538 14.425 ( -0.974 3.026 6.378) 7.127 14.646 ( 4.101 2.130 -4.492) 6.445 14.906 ( -3.096 3.581 -0.770) 4.796 15.003 ( -1.294 -0.106 2.002) 2.387 15.177 ( -4.424 4.543 -1.339) 6.481 15.453 ( 7.793 1.047 1.838) 8.075 15.641 ( -2.376 2.471 -1.902) 3.921 16.585 ( 3.366 -3.971 3.352) 6.191 16.719 ( -0.143 -1.799 -6.258) 6.513 17.287 ( 19.683 -12.153 10.416) 25.369 17.728 ( 0.348 -10.804 0.824) 10.841 18.160 ( -0.924 4.050 3.807) 5.635 18.586 ( -26.724 -9.795 7.659) 29.475 21.253 ( 13.476 -17.420 -9.806) 24.109 21.560 ( -9.992 -20.327 4.510) 23.095 23.064 ( 23.358 7.537 3.065) 24.735 23.555 ( -6.947 -2.985 -1.262) 7.665 23.971 ( 1.383 10.352 1.865) 10.609 24.146 ( -3.851 10.695 -9.743) 14.971 ======================= Grid point 396 (184/204) ======================= q-point: (-0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 1.607 -0.117 -30.634) 30.676 1.909 ( -1.607 -0.117 30.634) 30.676 2.270 ( -2.647 -0.406 -38.620) 38.713 2.270 ( 2.647 -0.406 38.620) 38.713 3.676 ( 6.492 18.974 -27.009) 33.639 3.676 ( -6.492 18.974 27.009) 33.639 4.461 ( -4.426 11.499 -10.214) 16.005 4.461 ( 4.426 11.499 10.214) 16.005 5.791 ( 3.519 -1.184 -16.878) 17.281 5.791 ( -3.519 -1.184 16.878) 17.281 6.336 ( -9.146 -5.569 -10.992) 15.346 6.336 ( 9.146 -5.569 10.992) 15.346 7.342 ( 2.314 5.078 -10.798) 12.155 7.342 ( -2.314 5.078 10.798) 12.155 7.708 ( -0.228 -12.755 -10.053) 16.242 7.708 ( 0.228 -12.755 10.053) 16.242 8.101 ( -4.143 -5.992 -3.997) 8.309 8.101 ( 4.143 -5.992 3.997) 8.309 8.952 ( -5.910 -6.128 -10.639) 13.626 8.952 ( 5.910 -6.128 10.639) 13.626 9.306 ( -7.965 4.469 -10.502) 13.918 9.306 ( 7.965 4.469 10.502) 13.918 9.442 ( -1.729 -2.307 -5.710) 6.397 9.442 ( 1.729 -2.307 5.710) 6.397 9.999 ( 4.589 -2.748 -7.598) 9.292 9.999 ( -4.589 -2.748 7.598) 9.292 10.246 ( 0.992 4.826 -12.704) 13.626 10.246 ( -0.992 4.826 12.704) 13.626 10.612 ( -2.818 1.335 -0.902) 3.246 10.612 ( 2.818 1.335 0.902) 3.246 10.933 ( 6.559 -4.933 -8.174) 11.583 10.933 ( -6.559 -4.933 8.174) 11.583 11.463 ( -5.455 -9.465 -3.361) 11.430 11.463 ( 5.455 -9.465 3.361) 11.430 11.826 ( 3.345 -1.312 -1.753) 3.998 11.826 ( -3.345 -1.312 1.753) 3.998 12.012 ( 2.448 1.475 -4.142) 5.032 12.012 ( -2.448 1.475 4.142) 5.032 12.450 ( -18.738 2.503 -0.137) 18.905 12.450 ( 18.738 2.503 0.137) 18.905 13.053 ( -12.416 -2.172 -6.709) 14.279 13.053 ( 12.416 -2.172 6.709) 14.279 13.309 ( 2.577 6.838 -2.053) 7.591 13.309 ( -2.577 6.838 2.053) 7.591 13.864 ( 2.072 4.461 -1.733) 5.215 13.864 ( -2.072 4.461 1.733) 5.215 14.323 ( 3.729 4.200 -2.566) 6.175 14.323 ( -3.729 4.200 2.566) 6.175 14.772 ( -7.212 -1.799 0.616) 7.458 14.772 ( 7.212 -1.799 -0.616) 7.458 15.045 ( -5.808 2.966 -1.616) 6.719 15.045 ( 5.808 2.966 1.616) 6.719 15.554 ( -4.257 1.281 -3.280) 5.525 15.554 ( 4.257 1.281 3.280) 5.525 16.679 ( -0.644 -1.577 -8.540) 8.708 16.679 ( 0.644 -1.577 8.540) 8.708 17.730 ( -12.062 -8.577 -4.734) 15.539 17.730 ( 12.062 -8.577 4.734) 15.539 18.285 ( -19.337 -3.447 -0.800) 19.658 18.285 ( 19.337 -3.447 0.800) 19.658 21.606 ( -4.962 -19.033 -2.660) 19.848 21.606 ( 4.962 -19.033 2.660) 19.848 23.377 ( -16.409 0.396 -4.913) 17.133 23.377 ( 16.409 0.396 4.913) 17.133 23.914 ( -4.113 12.427 -3.391) 13.522 23.914 ( 4.113 12.427 3.391) 13.522 ======================= Grid point 400 (185/204) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 6.319 0.000 -34.828) 35.396 2.881 ( 31.576 0.000 -14.216) 34.629 3.054 ( 11.991 0.000 0.240) 11.993 3.708 ( 15.957 0.000 16.987) 23.306 3.770 ( 11.285 0.000 26.993) 29.258 4.129 ( 27.686 0.000 -4.599) 28.065 4.784 ( 16.780 0.000 13.817) 21.737 5.381 ( 6.755 0.000 3.085) 7.427 5.793 ( 0.423 0.000 4.191) 4.213 6.306 ( 1.291 0.000 -5.254) 5.410 6.458 ( -1.231 -0.000 -8.911) 8.996 6.506 ( -14.761 -0.000 -16.736) 22.316 7.012 ( -10.256 -0.000 -10.903) 14.968 7.407 ( 2.455 0.000 -0.339) 2.479 7.569 ( 5.356 0.000 3.309) 6.296 7.613 ( 7.031 0.000 -4.492) 8.343 8.153 ( 6.654 0.000 8.321) 10.654 8.526 ( -3.552 -0.000 -1.553) 3.877 8.547 ( -0.554 -0.000 -0.361) 0.662 8.602 ( 2.796 0.000 12.941) 13.240 8.966 ( -2.784 -0.000 -3.654) 4.594 9.077 ( -4.621 -0.000 -11.611) 12.497 9.345 ( -7.329 -0.000 -3.319) 8.046 9.859 ( 3.370 0.000 10.031) 10.582 9.995 ( -1.318 -0.000 5.874) 6.020 10.185 ( 7.714 0.000 -8.417) 11.417 10.550 ( 4.159 0.000 2.601) 4.905 10.563 ( 2.477 0.000 10.858) 11.137 10.644 ( -6.968 -0.000 6.046) 9.225 10.782 ( 8.455 0.000 -9.803) 12.945 10.975 ( 1.900 0.000 -7.692) 7.923 11.197 ( -14.718 -0.000 1.085) 14.758 11.294 ( -0.498 -0.000 6.990) 7.008 11.488 ( -2.501 -0.000 7.852) 8.240 11.575 ( -9.152 -0.000 0.320) 9.157 11.726 ( 13.086 0.000 -2.378) 13.300 11.841 ( -2.429 -0.000 -6.122) 6.586 12.256 ( 7.507 0.000 -0.346) 7.514 12.354 ( -2.831 -0.000 5.970) 6.607 12.588 ( -3.348 -0.000 6.027) 6.894 12.871 ( 8.005 0.000 -0.748) 8.040 13.165 ( -4.651 -0.000 4.895) 6.752 13.215 ( -13.105 -0.000 -8.913) 15.849 13.608 ( 7.981 0.000 1.911) 8.206 13.802 ( 12.350 0.000 -4.052) 12.997 13.998 ( -3.911 -0.000 0.916) 4.017 14.133 ( -6.104 -0.000 -6.207) 8.706 14.464 ( 1.752 0.000 -9.345) 9.508 14.573 ( -1.784 -0.000 1.976) 2.662 14.782 ( -12.248 -0.000 -9.656) 15.596 15.183 ( 7.984 0.000 6.383) 10.222 15.324 ( 2.365 0.000 -2.951) 3.782 15.435 ( 9.917 0.000 22.259) 24.368 15.669 ( -0.876 -0.000 1.314) 1.579 16.189 ( -13.576 -0.000 -11.145) 17.564 16.501 ( -2.778 -0.000 -0.120) 2.781 16.719 ( -9.574 -0.000 3.404) 10.161 17.903 ( -3.723 -0.000 -8.615) 9.385 18.023 ( 11.131 0.000 1.811) 11.277 19.826 ( 19.650 0.000 -19.566) 27.730 20.834 ( -40.349 -0.000 2.246) 40.412 21.258 ( -9.664 -0.000 4.222) 10.546 22.536 ( 5.367 0.000 16.900) 17.732 23.670 ( -5.976 -0.000 -1.495) 6.160 23.959 ( 5.081 0.000 -2.502) 5.664 24.075 ( 4.457 0.000 1.461) 4.690 ======================= Grid point 401 (186/204) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 0.219 -8.532 -26.453) 27.796 3.168 ( 10.130 6.977 4.091) 12.963 3.341 ( 32.242 12.785 -5.640) 35.140 3.939 ( 12.880 9.606 18.876) 24.788 4.187 ( 17.924 -15.646 10.282) 25.919 4.550 ( 19.011 -10.065 -1.974) 21.601 5.108 ( 11.742 5.922 16.955) 21.457 5.405 ( 0.198 -0.843 2.872) 3.000 5.784 ( -6.458 -0.583 6.924) 9.486 6.070 ( -12.023 14.009 -19.254) 26.674 6.261 ( -6.291 -0.436 -5.103) 8.112 6.484 ( -2.414 -15.194 -12.754) 19.984 6.854 ( -3.229 -1.286 -9.291) 9.920 7.381 ( -1.222 9.494 3.167) 10.082 7.708 ( 8.309 -3.841 1.631) 9.298 7.748 ( 5.344 -5.991 -4.969) 9.442 8.205 ( -4.968 1.618 10.342) 11.587 8.501 ( -0.897 1.242 -5.805) 6.004 8.529 ( 3.751 1.995 0.941) 4.351 8.710 ( 0.214 -1.916 19.114) 19.211 8.876 ( -8.799 0.697 -1.271) 8.918 8.949 ( -4.616 0.229 -8.387) 9.576 9.247 ( -0.442 0.611 -5.362) 5.415 9.877 ( -1.374 6.930 7.719) 10.464 9.980 ( -1.045 3.137 2.031) 3.881 10.283 ( 6.182 -3.617 -9.525) 11.918 10.445 ( -11.012 1.645 -2.646) 11.445 10.630 ( 1.849 0.953 4.806) 5.237 10.657 ( 0.561 -0.842 8.239) 8.301 10.869 ( -7.977 4.228 -4.460) 10.070 10.892 ( 6.477 1.501 -7.408) 9.954 11.000 ( -8.958 -6.839 -2.232) 11.489 11.334 ( -0.287 1.101 3.450) 3.633 11.440 ( -1.897 4.040 3.553) 5.705 11.524 ( 0.262 -3.059 3.569) 4.708 11.821 ( 1.767 -1.671 -4.061) 4.734 11.960 ( 17.075 1.505 -1.631) 17.219 12.336 ( 1.374 1.133 -1.099) 2.093 12.354 ( 1.384 -0.491 2.538) 2.932 12.574 ( -2.686 -0.792 11.041) 11.391 12.878 ( -4.729 4.797 -1.484) 6.898 12.972 ( -11.545 -2.223 -5.048) 12.795 13.161 ( -3.432 -5.641 5.233) 8.426 13.744 ( 6.129 1.699 2.113) 6.702 13.836 ( -0.147 8.945 5.322) 10.410 14.047 ( 6.444 -5.798 -6.346) 10.743 14.109 ( -2.360 -10.483 -0.597) 10.762 14.384 ( -4.088 -0.387 -14.939) 15.493 14.567 ( 0.171 -0.140 1.025) 1.048 14.678 ( 3.792 -0.090 -5.536) 6.711 15.230 ( -2.095 1.624 5.748) 6.330 15.340 ( 2.757 1.498 -5.029) 5.928 15.616 ( -4.519 1.295 0.713) 4.755 15.620 ( 2.646 0.818 2.844) 3.970 16.056 ( -2.191 -2.922 8.182) 8.960 16.485 ( 0.310 0.662 1.663) 1.817 16.572 ( -10.535 -4.174 1.010) 11.377 17.725 ( -4.613 10.136 -11.068) 15.701 18.308 ( 14.907 -7.511 3.187) 16.993 19.968 ( -10.026 -0.457 10.890) 14.810 20.228 ( -10.777 8.525 -25.725) 29.166 21.165 ( -12.158 -8.562 7.143) 16.497 22.632 ( 6.769 12.897 14.840) 20.793 23.589 ( -4.548 -3.377 -2.421) 6.160 24.042 ( 4.750 -2.345 -1.933) 5.639 24.166 ( 4.408 -2.494 -0.653) 5.107 ======================= Grid point 402 (187/204) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -5.636 -9.695 -17.576) 20.849 3.209 ( 2.874 10.479 6.825) 12.831 3.681 ( 30.312 16.702 0.686) 34.615 4.086 ( 10.885 13.795 14.522) 22.797 4.662 ( 13.096 -10.599 -8.340) 18.799 4.823 ( 2.797 -6.559 5.289) 8.878 5.046 ( -1.119 12.007 6.028) 13.481 5.523 ( -0.724 14.304 -7.214) 16.036 5.572 ( -6.364 -8.757 10.840) 15.320 5.937 ( 1.130 -8.794 3.040) 9.373 6.126 ( -9.737 -2.877 -2.906) 10.561 6.544 ( -2.256 -12.700 -8.743) 15.583 6.843 ( 2.949 -3.750 -11.207) 12.180 7.227 ( -3.668 15.321 3.058) 16.048 7.832 ( -0.955 -5.830 1.200) 6.028 7.868 ( 4.149 -6.228 -7.737) 10.764 8.111 ( -5.935 6.399 12.940) 15.608 8.414 ( -3.919 1.799 -9.053) 10.027 8.517 ( -5.862 -2.276 -3.462) 7.178 8.735 ( -7.035 -0.984 8.487) 11.068 8.800 ( -1.320 -2.536 8.698) 9.156 8.874 ( -2.376 -0.524 3.601) 4.346 9.266 ( 4.198 0.737 -3.498) 5.514 9.754 ( -7.602 6.565 3.945) 10.791 9.911 ( 1.570 10.770 -2.382) 11.141 10.241 ( -11.078 -0.858 -0.219) 11.113 10.371 ( 2.486 -3.357 -7.853) 8.895 10.611 ( -7.781 2.209 -3.190) 8.695 10.660 ( 1.474 -0.325 0.963) 1.790 10.701 ( -3.277 0.712 7.280) 8.015 10.948 ( -1.861 -6.176 -8.290) 10.504 10.988 ( 3.122 -0.974 -2.665) 4.219 11.232 ( -4.882 5.280 -2.961) 7.777 11.466 ( 1.720 -1.114 2.221) 3.022 11.593 ( 2.036 -0.573 5.103) 5.523 11.878 ( 4.676 -0.652 -1.739) 5.031 12.183 ( 10.483 3.338 0.417) 11.009 12.304 ( 0.710 2.151 -3.945) 4.549 12.370 ( -1.026 1.442 -3.923) 4.303 12.595 ( -0.979 -0.641 2.952) 3.176 12.727 ( -5.132 0.732 5.842) 7.810 12.855 ( -6.595 -5.301 1.315) 8.563 13.183 ( -3.838 -5.832 3.570) 7.841 13.735 ( -2.365 6.023 -3.032) 7.146 13.800 ( 3.122 2.516 4.873) 6.311 14.156 ( -3.030 -5.679 2.116) 6.776 14.222 ( 4.239 -10.388 -0.817) 11.249 14.338 ( 3.660 -1.485 -7.018) 8.054 14.587 ( 2.069 0.580 1.110) 2.418 14.776 ( 9.578 0.461 -4.730) 10.692 15.145 ( -7.444 2.892 4.949) 9.395 15.333 ( 0.886 2.203 -6.658) 7.068 15.518 ( -6.068 -0.164 0.634) 6.103 15.638 ( 4.351 -0.798 -7.298) 8.534 16.142 ( 0.507 -3.146 7.591) 8.232 16.440 ( -6.338 -3.366 8.487) 11.114 16.581 ( 3.649 -3.388 0.835) 5.049 17.490 ( -5.090 10.644 -12.050) 16.865 18.616 ( 12.941 -4.105 3.103) 13.927 19.491 ( -38.663 -1.039 15.909) 41.821 20.268 ( 20.369 5.164 -27.331) 34.475 21.087 ( -13.006 -9.988 9.452) 18.928 22.650 ( 9.339 18.406 10.632) 23.218 23.567 ( -2.887 -4.765 -1.027) 5.665 24.132 ( 3.664 -3.020 -1.318) 4.928 24.251 ( 3.901 -2.278 -2.187) 5.019 ======================= Grid point 403 (188/204) ======================= q-point: (-0.55 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -7.406 -1.886 -12.854) 14.954 3.101 ( -3.497 16.310 6.760) 17.998 3.970 ( 14.848 11.457 8.085) 20.422 4.140 ( 13.438 16.960 3.914) 21.989 4.480 ( -19.076 10.617 -4.307) 22.253 4.689 ( -7.224 7.125 -5.447) 11.516 5.181 ( -2.837 6.341 4.139) 8.086 5.467 ( 15.063 1.352 -1.833) 15.234 5.657 ( -1.792 -9.535 3.132) 10.195 5.935 ( -9.448 -4.720 6.277) 12.286 6.150 ( -1.664 -12.800 6.207) 14.322 6.600 ( -2.386 -10.449 -2.128) 10.927 6.907 ( 7.423 -2.020 -11.294) 13.665 7.002 ( -6.432 15.394 0.599) 16.694 7.796 ( -10.171 -2.775 -0.341) 10.548 7.889 ( -1.260 -5.909 -8.914) 10.768 8.026 ( -3.395 7.333 14.740) 16.810 8.277 ( -5.750 -1.601 -10.823) 12.360 8.495 ( -2.685 -9.341 -2.748) 10.100 8.701 ( -7.514 -4.331 -1.054) 8.736 8.786 ( 1.711 1.737 8.657) 8.994 8.902 ( -2.148 0.304 15.419) 15.571 9.283 ( 0.189 2.686 0.625) 2.764 9.600 ( -3.909 4.062 -1.139) 5.752 9.836 ( 4.468 8.898 -5.736) 11.491 10.106 ( -8.440 -3.267 -0.040) 9.050 10.303 ( -9.883 -2.501 -2.212) 10.432 10.565 ( 2.581 -0.621 -4.091) 4.877 10.668 ( -2.482 0.490 1.663) 3.028 10.716 ( 1.872 -3.990 2.664) 5.150 10.939 ( -6.652 -9.946 -5.760) 13.280 11.009 ( 3.909 4.538 -4.372) 7.415 11.122 ( 0.417 4.936 -3.781) 6.232 11.484 ( -3.109 -2.872 0.591) 4.274 11.601 ( -2.757 1.925 5.431) 6.388 11.954 ( 6.703 3.426 -0.569) 7.550 12.105 ( -12.209 7.237 0.580) 14.204 12.201 ( -5.034 2.163 1.064) 5.582 12.444 ( 10.337 -2.352 -9.733) 14.392 12.599 ( -0.002 -4.461 -11.133) 11.994 12.716 ( -1.183 -2.384 2.237) 3.477 12.934 ( 5.010 -3.147 14.766) 15.907 13.183 ( -3.954 -5.541 2.103) 7.125 13.626 ( -2.678 4.028 -3.211) 5.806 13.893 ( 5.865 -1.397 3.526) 6.985 14.143 ( -3.520 -3.715 -0.281) 5.126 14.301 ( 0.939 -0.306 -4.033) 4.152 14.442 ( 2.375 -5.148 4.920) 7.507 14.635 ( 3.267 0.049 2.656) 4.210 14.922 ( 10.060 -0.171 0.513) 10.075 15.020 ( -6.896 2.696 6.879) 10.107 15.254 ( -4.091 0.296 -7.743) 8.763 15.483 ( 2.548 0.770 -2.794) 3.859 15.717 ( 7.223 -0.644 -8.382) 11.083 16.156 ( -2.045 -3.839 -4.141) 6.005 16.447 ( -2.786 -0.085 11.093) 11.438 16.713 ( 5.302 -7.182 4.037) 9.797 17.286 ( -2.836 6.893 -9.745) 12.268 18.737 ( -4.140 4.398 3.021) 6.753 19.060 ( -23.976 -8.394 13.635) 28.831 20.441 ( 18.910 3.417 -22.464) 29.561 21.039 ( -11.414 -12.202 11.307) 20.174 22.685 ( 12.958 17.504 7.612) 23.070 23.570 ( -2.024 -3.899 -0.133) 4.395 24.195 ( 1.832 -1.048 -0.254) 2.126 24.318 ( 3.776 -1.474 -4.032) 5.717 ======================= Grid point 404 (189/204) ======================= q-point: (-0.45 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -5.119 5.280 -12.757) 14.725 2.833 ( -8.359 23.773 7.658) 26.338 3.806 ( -13.757 21.996 5.836) 26.592 3.956 ( -18.537 11.497 -11.377) 24.601 4.387 ( 10.436 1.660 3.645) 11.178 4.551 ( 1.951 11.172 6.323) 12.985 4.959 ( -8.569 11.794 3.459) 14.983 5.496 ( -3.454 13.480 -7.687) 15.898 5.652 ( -3.385 -6.374 2.872) 7.767 6.068 ( -0.320 -11.859 12.267) 17.065 6.215 ( -5.498 -10.231 0.540) 11.628 6.612 ( -7.909 -2.954 0.728) 8.473 6.732 ( -5.858 9.338 0.421) 11.031 7.055 ( 14.207 -0.943 -8.030) 16.347 7.632 ( -10.546 -2.113 -3.008) 11.168 7.890 ( -4.675 0.473 -1.453) 4.919 7.961 ( -4.242 -6.656 -1.813) 8.098 8.283 ( 6.625 -6.318 -0.572) 9.173 8.434 ( -15.367 -0.063 3.905) 15.855 8.608 ( 0.402 -1.706 1.463) 2.283 8.897 ( -2.651 4.022 13.526) 14.358 8.965 ( 10.903 -7.037 0.913) 13.009 9.268 ( 0.289 0.107 0.759) 0.819 9.543 ( 0.684 2.134 -1.927) 2.955 9.830 ( 3.051 1.492 -5.908) 6.814 10.032 ( -5.174 -4.733 -0.491) 7.029 10.154 ( -11.002 -4.160 -4.647) 12.647 10.584 ( -0.187 -1.196 -3.031) 3.264 10.623 ( -3.288 -0.283 3.217) 4.609 10.804 ( 1.163 -2.203 3.181) 4.040 10.864 ( -7.224 -6.100 -4.609) 10.519 11.051 ( 5.900 2.548 -7.529) 9.898 11.076 ( -0.298 2.489 1.335) 2.840 11.429 ( -7.752 -2.627 1.857) 8.393 11.554 ( -2.591 0.191 2.596) 3.673 11.817 ( -12.438 2.398 -1.403) 12.745 12.039 ( 6.307 3.779 2.095) 7.645 12.129 ( -0.194 4.634 0.251) 4.645 12.545 ( -4.621 -4.258 -7.263) 9.604 12.582 ( 4.744 -3.067 -6.526) 8.631 12.757 ( -0.421 -7.168 -3.506) 7.991 13.097 ( 6.186 2.882 11.741) 13.580 13.214 ( 1.324 -3.790 3.058) 5.047 13.535 ( -3.656 -0.324 -5.872) 6.924 13.990 ( -0.303 -6.282 0.235) 6.293 14.176 ( 6.458 -0.168 -1.149) 6.561 14.255 ( -1.665 5.530 -1.402) 5.943 14.489 ( -3.439 0.127 6.911) 7.721 14.683 ( -1.527 -2.388 5.263) 5.978 14.950 ( -1.103 0.823 6.120) 6.273 15.099 ( 7.435 -0.300 -1.403) 7.572 15.189 ( 1.647 -0.558 -2.995) 3.464 15.516 ( 4.386 3.960 -2.388) 6.373 15.777 ( 5.776 3.003 -9.936) 11.879 16.174 ( 1.062 -7.177 -5.096) 8.866 16.423 ( -1.225 3.104 7.442) 8.157 16.893 ( 2.241 -9.933 3.056) 10.632 17.208 ( 1.865 -0.296 -5.449) 5.767 18.491 ( -19.154 0.311 9.394) 21.336 18.931 ( -11.896 -3.388 7.149) 14.286 20.618 ( 16.606 0.795 -19.817) 25.867 21.060 ( -8.676 -14.448 12.222) 20.818 22.792 ( 16.220 13.933 6.041) 22.220 23.572 ( -1.818 -2.863 -0.188) 3.397 24.209 ( 0.493 2.137 0.995) 2.409 24.364 ( 3.314 -0.168 -6.114) 6.956 ======================= Grid point 405 (190/204) ======================= q-point: (-0.36 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -1.040 8.825 -15.452) 17.825 2.467 ( -10.844 24.420 10.721) 28.790 3.260 ( -24.284 21.993 0.140) 32.763 3.485 ( -21.093 12.594 -10.960) 26.901 4.382 ( 2.173 18.818 11.649) 22.238 4.560 ( 0.934 11.376 12.039) 16.590 4.803 ( 0.582 7.462 -1.400) 7.615 5.256 ( -2.999 15.275 -5.129) 16.390 5.687 ( -0.786 -4.127 4.850) 6.417 6.066 ( -13.034 -5.864 6.709) 15.789 6.151 ( -11.256 -5.723 -6.638) 14.266 6.341 ( -12.572 0.084 -12.367) 17.635 6.831 ( 8.261 -3.569 14.072) 16.703 7.289 ( 14.913 -0.461 -3.509) 15.327 7.489 ( -7.593 -1.743 -4.750) 9.124 7.735 ( -10.216 1.267 1.658) 10.427 7.985 ( -0.733 -7.078 -8.994) 11.468 8.194 ( -12.951 1.425 6.359) 14.498 8.542 ( 9.192 -10.279 4.442) 14.487 8.692 ( 5.077 -3.171 -0.503) 6.007 8.903 ( 3.044 1.311 13.369) 13.774 9.222 ( 12.771 -5.311 -3.129) 14.181 9.285 ( 0.399 -1.832 -1.400) 2.340 9.541 ( 0.185 0.210 -0.479) 0.555 9.834 ( -0.611 -2.224 -3.023) 3.803 9.983 ( -10.557 -3.482 -8.483) 13.984 10.045 ( -1.065 -6.968 1.316) 7.171 10.548 ( -2.326 1.333 2.140) 3.430 10.629 ( -1.373 -4.850 1.172) 5.175 10.765 ( -3.016 5.186 -0.808) 6.054 10.815 ( -5.331 -5.499 -4.917) 9.101 10.986 ( -4.334 3.264 2.929) 6.165 11.155 ( 4.248 -3.388 -2.988) 6.201 11.321 ( -9.120 -3.186 2.326) 9.937 11.527 ( -1.313 -2.470 -0.757) 2.897 11.731 ( 1.301 -2.939 0.183) 3.220 12.047 ( -4.403 0.123 4.822) 6.531 12.155 ( 9.645 7.174 -1.342) 12.095 12.425 ( -8.893 -3.312 -7.194) 11.908 12.674 ( 3.463 -3.187 -0.299) 4.716 12.781 ( -4.591 -6.982 -1.496) 8.489 13.131 ( 0.568 4.817 1.323) 5.027 13.330 ( 7.415 -0.982 4.656) 8.810 13.495 ( -1.641 -4.391 -6.649) 8.136 14.029 ( -2.883 -6.864 -1.422) 7.580 14.147 ( -1.003 9.425 1.702) 9.630 14.267 ( 2.443 0.748 -5.748) 6.290 14.430 ( 0.318 5.060 9.197) 10.502 14.685 ( -4.638 -3.836 4.150) 7.311 14.979 ( -1.705 -2.089 4.191) 4.983 15.091 ( 2.745 4.681 -4.888) 7.303 15.330 ( 9.360 0.306 2.480) 9.688 15.483 ( 1.350 10.116 -4.140) 11.013 15.765 ( 1.862 4.642 -5.615) 7.520 16.312 ( 5.943 -11.169 -2.871) 12.973 16.471 ( 4.572 -1.861 10.236) 11.364 16.950 ( -1.764 -4.750 -5.004) 7.121 17.314 ( 3.455 -11.002 0.152) 11.533 18.281 ( -13.074 -2.175 10.989) 17.217 18.742 ( -16.460 -0.471 3.928) 16.928 20.796 ( 13.938 -3.194 -17.529) 22.621 21.131 ( -7.658 -15.157 12.262) 20.946 22.972 ( 17.406 9.585 5.061) 20.505 23.562 ( -2.521 -2.066 -0.729) 3.340 24.186 ( 0.583 5.168 2.320) 5.694 24.369 ( 1.682 1.933 -8.071) 8.468 ======================= Grid point 406 (191/204) ======================= q-point: (-0.27 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 3.682 9.228 -14.593) 17.654 2.123 ( -13.065 14.908 10.044) 22.222 2.713 ( -15.421 21.867 9.616) 28.433 2.960 ( -18.310 15.846 -16.224) 29.148 4.262 ( 1.396 23.009 17.661) 29.040 4.392 ( -0.725 25.472 0.711) 25.492 4.773 ( 2.938 8.181 5.133) 10.095 5.030 ( -4.104 15.165 -10.295) 18.783 5.732 ( -2.284 -2.887 7.922) 8.736 5.883 ( -10.278 1.343 -6.657) 12.319 6.041 ( -4.269 -8.407 3.776) 10.157 6.211 ( -6.550 -10.395 -12.018) 17.187 7.093 ( 7.906 -11.735 11.425) 18.187 7.367 ( -5.950 -6.773 -7.381) 11.652 7.469 ( 6.162 5.189 4.532) 9.243 7.593 ( -4.558 3.070 -1.738) 5.764 7.990 ( -0.450 -2.346 -5.122) 5.652 8.064 ( -7.331 -2.989 3.777) 8.772 8.739 ( 3.855 -5.115 6.988) 9.479 8.786 ( 3.217 -4.952 -2.700) 6.493 9.124 ( 11.535 -6.826 6.752) 15.008 9.296 ( 0.222 -0.486 4.972) 5.000 9.405 ( 6.199 -0.221 -11.325) 12.912 9.502 ( -5.664 -2.053 -0.403) 6.038 9.842 ( -0.141 -4.202 -6.511) 7.750 9.868 ( -4.729 -6.506 0.633) 8.068 10.157 ( 6.303 -3.836 5.795) 9.383 10.522 ( -1.064 3.622 3.539) 5.175 10.598 ( -7.814 0.204 -7.903) 11.116 10.652 ( -4.569 -4.984 1.044) 6.842 10.810 ( 0.937 -2.382 -1.778) 3.117 10.890 ( -4.001 2.204 1.304) 4.750 11.210 ( -1.670 -4.918 1.450) 5.392 11.264 ( -4.276 -7.273 -0.685) 8.464 11.608 ( 8.307 -3.394 -3.049) 9.477 11.828 ( 3.321 -3.361 3.092) 5.647 11.981 ( -4.761 -0.378 1.966) 5.165 12.157 ( -5.699 2.300 0.373) 6.157 12.359 ( 5.956 2.112 -5.330) 8.267 12.684 ( -10.614 -4.509 -1.349) 11.611 12.800 ( 4.760 -2.340 6.828) 8.646 13.097 ( -1.565 -1.204 -6.685) 6.970 13.441 ( 0.410 0.499 2.959) 3.028 13.472 ( 0.923 0.549 -4.571) 4.695 14.003 ( 2.474 5.759 -3.149) 7.014 14.092 ( -0.220 7.541 4.479) 8.774 14.239 ( 0.665 -3.372 0.378) 3.458 14.471 ( -0.631 1.223 2.543) 2.891 14.663 ( -0.020 -1.032 2.053) 2.298 14.907 ( -8.684 -0.855 -0.590) 8.746 15.119 ( 8.076 8.569 0.766) 11.799 15.328 ( -3.746 9.629 -1.757) 10.481 15.484 ( 9.179 2.659 -0.868) 9.596 15.700 ( -2.964 3.571 -2.032) 5.067 16.489 ( 5.467 -6.388 1.024) 8.470 16.639 ( 1.527 -6.039 2.074) 6.566 17.040 ( 10.132 -11.134 2.211) 15.216 17.455 ( -4.204 -16.086 -0.448) 16.632 18.199 ( -3.688 -0.261 8.260) 9.049 18.477 ( -16.842 -0.224 0.502) 16.851 20.993 ( 11.963 -8.936 -15.094) 21.232 21.201 ( -8.771 -15.154 11.923) 21.183 23.186 ( 15.582 5.174 4.087) 16.920 23.517 ( -4.947 -1.250 -1.513) 5.322 24.155 ( 2.140 7.706 4.216) 9.041 24.301 ( -1.527 5.254 -9.149) 10.660 ======================= Grid point 407 (192/204) ======================= q-point: (-0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 7.120 2.831 -29.186) 30.175 1.860 ( -7.120 2.831 29.186) 30.175 2.505 ( -1.035 18.421 -29.518) 34.810 2.505 ( 1.035 18.421 29.518) 34.810 4.108 ( 1.326 24.048 -16.211) 29.032 4.108 ( -1.326 24.048 16.211) 29.032 4.747 ( -3.824 15.747 -13.632) 21.176 4.747 ( 3.824 15.747 13.632) 21.176 5.761 ( 1.906 -1.589 -15.853) 16.046 5.761 ( -1.906 -1.589 15.853) 16.046 6.182 ( -4.546 -9.807 -10.393) 14.995 6.182 ( 4.546 -9.807 10.393) 14.995 7.363 ( -1.931 -12.632 -7.569) 14.853 7.363 ( 1.931 -12.632 7.569) 14.853 7.493 ( -1.129 3.410 -12.961) 13.449 7.493 ( 1.129 3.410 12.961) 13.449 8.018 ( 0.818 -2.821 -7.113) 7.695 8.018 ( -0.818 -2.821 7.113) 7.695 8.852 ( -0.794 -4.946 -7.763) 9.239 8.852 ( 0.794 -4.946 7.763) 9.239 9.325 ( -3.157 -1.823 -8.628) 9.366 9.325 ( 3.157 -1.823 8.628) 9.366 9.412 ( -4.928 -0.888 -14.733) 15.560 9.412 ( 4.928 -0.888 14.733) 15.560 9.902 ( 3.543 -6.343 -5.936) 9.382 9.902 ( -3.543 -6.343 5.936) 9.382 10.339 ( -7.170 3.236 -10.787) 13.351 10.339 ( 7.170 3.236 10.787) 13.351 10.605 ( -0.352 -2.533 -5.795) 6.334 10.605 ( 0.352 -2.533 5.795) 6.334 10.851 ( 2.163 -2.022 -9.242) 9.705 10.851 ( -2.163 -2.022 9.242) 9.705 11.282 ( -2.761 -8.033 -2.058) 8.740 11.282 ( 2.761 -8.033 2.058) 8.740 11.794 ( 6.753 -2.540 -3.430) 7.989 11.794 ( -6.753 -2.540 3.430) 7.989 12.023 ( -6.809 0.191 0.545) 6.834 12.023 ( 6.809 0.191 -0.545) 6.834 12.488 ( -5.770 1.385 -3.213) 6.748 12.488 ( 5.770 1.385 3.213) 6.748 12.994 ( -9.837 -3.861 -7.928) 13.211 12.994 ( 9.837 -3.861 7.928) 13.211 13.429 ( 4.964 4.648 -5.752) 8.907 13.429 ( -4.964 4.648 5.752) 8.907 13.991 ( 2.773 7.623 -3.768) 8.944 13.991 ( -2.773 7.623 3.768) 8.944 14.370 ( -4.602 -1.022 -4.005) 6.185 14.370 ( 4.602 -1.022 4.005) 6.185 14.754 ( -2.883 0.567 -4.740) 5.577 14.754 ( 2.883 0.567 4.740) 5.577 15.153 ( -2.965 8.049 -3.415) 9.233 15.153 ( 2.965 8.049 3.415) 9.233 15.588 ( -5.463 2.208 -1.688) 6.129 15.588 ( 5.463 2.208 1.688) 6.129 16.630 ( -2.598 -3.517 -6.691) 7.992 16.630 ( 2.598 -3.517 6.691) 7.992 17.458 ( -12.778 -17.566 -6.275) 22.610 17.458 ( 12.778 -17.566 6.275) 22.610 18.253 ( -8.121 0.352 -3.920) 9.024 18.253 ( 8.121 0.352 3.920) 9.024 21.243 ( 8.735 -15.753 -16.193) 24.221 21.243 ( -8.735 -15.753 16.193) 24.221 23.390 ( -7.330 0.833 -6.471) 9.813 23.390 ( 7.330 0.833 6.471) 9.813 24.143 ( -3.424 9.593 -8.021) 12.965 24.143 ( 3.424 9.593 8.021) 12.965 ======================= Grid point 413 (193/204) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -1.826 -0.000 -15.108) 15.218 3.315 ( 1.916 0.000 6.284) 6.570 3.932 ( 31.620 0.000 -4.704) 31.968 4.359 ( 14.905 0.000 15.301) 21.361 4.374 ( 19.305 0.000 7.056) 20.554 4.712 ( 7.681 0.000 -4.276) 8.791 5.267 ( -7.184 -0.000 -0.922) 7.243 5.393 ( -2.507 -0.000 17.374) 17.554 5.681 ( -2.546 -0.000 12.489) 12.746 5.901 ( -13.676 -0.000 -14.043) 19.602 6.188 ( -5.718 -0.000 -6.794) 8.880 6.247 ( 1.064 0.000 -16.119) 16.154 6.835 ( 4.551 0.000 -6.024) 7.550 7.425 ( -3.375 -0.000 6.474) 7.300 7.739 ( -1.326 -0.000 1.157) 1.760 7.781 ( 5.481 0.000 -11.717) 12.935 8.189 ( -2.827 -0.000 13.117) 13.418 8.420 ( -6.013 -0.000 -8.384) 10.317 8.522 ( -12.459 -0.000 -3.974) 13.077 8.702 ( -7.713 -0.000 12.600) 14.773 8.777 ( 0.265 0.000 7.366) 7.370 8.870 ( -2.377 -0.000 3.384) 4.136 9.275 ( 4.742 0.000 -4.884) 6.808 9.829 ( -9.438 -0.000 5.789) 11.072 10.048 ( 3.461 0.000 1.751) 3.879 10.232 ( -13.311 -0.000 -1.869) 13.441 10.330 ( 7.089 0.000 -12.447) 14.324 10.633 ( -9.555 -0.000 -4.243) 10.454 10.649 ( -2.723 -0.000 2.294) 3.561 10.710 ( -6.368 -0.000 4.707) 7.919 10.842 ( -3.753 -0.000 -1.466) 4.029 11.009 ( 7.865 0.000 -6.936) 10.486 11.301 ( -2.259 -0.000 -4.647) 5.167 11.449 ( -2.829 -0.000 3.258) 4.315 11.587 ( 5.369 0.000 5.425) 7.633 11.867 ( 6.208 0.000 -1.444) 6.373 12.208 ( 12.255 0.000 -4.144) 12.936 12.352 ( -0.725 -0.000 4.181) 4.243 12.372 ( 1.121 0.000 -6.775) 6.867 12.587 ( -4.024 -0.000 1.153) 4.186 12.737 ( -4.993 -0.000 7.880) 9.329 12.797 ( -9.641 -0.000 -0.170) 9.642 13.118 ( -2.686 -0.000 5.486) 6.108 13.829 ( -6.647 -0.000 -2.100) 6.971 13.829 ( 2.880 0.000 -0.769) 2.981 14.074 ( 0.952 0.000 -1.076) 1.437 14.094 ( 5.994 0.000 8.505) 10.405 14.325 ( 4.083 0.000 -9.057) 9.935 14.593 ( 2.517 0.000 0.931) 2.684 14.779 ( 9.639 0.000 -5.641) 11.168 15.177 ( -8.082 -0.000 5.299) 9.664 15.354 ( 0.409 0.000 -9.131) 9.141 15.516 ( -6.328 -0.000 1.116) 6.426 15.627 ( 3.237 0.000 -8.672) 9.256 16.114 ( 1.101 0.000 11.894) 11.944 16.394 ( -7.906 -0.000 6.749) 10.395 16.556 ( 5.584 0.000 1.945) 5.913 17.605 ( -8.265 -0.000 -14.736) 16.896 18.565 ( 17.019 0.000 5.069) 17.757 19.483 ( -40.908 -0.000 15.595) 43.780 20.326 ( 18.952 0.000 -31.304) 36.594 20.984 ( -11.720 -0.000 12.644) 17.240 22.865 ( 5.806 0.000 17.003) 17.967 23.494 ( -2.173 -0.000 -5.791) 6.185 24.098 ( 4.616 0.000 -1.595) 4.883 24.225 ( 4.767 0.000 -2.169) 5.237 ======================= Grid point 414 (194/204) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -0.326 -1.524 -2.945) 3.332 3.304 ( -2.895 4.393 6.105) 8.059 4.225 ( 14.295 12.052 -5.124) 19.387 4.485 ( 8.137 16.356 8.804) 20.279 4.646 ( -7.998 3.365 -2.414) 9.006 4.752 ( 2.744 -4.392 1.561) 5.409 5.222 ( 4.361 2.319 9.458) 10.670 5.379 ( 3.080 -10.072 4.332) 11.388 5.577 ( -11.446 2.626 -13.328) 17.763 5.861 ( 3.136 -4.609 9.172) 10.733 6.028 ( -4.318 3.493 -0.035) 5.554 6.312 ( -1.562 -14.814 -8.723) 17.262 6.922 ( 9.825 1.542 -5.312) 11.275 7.299 ( -7.473 11.878 3.912) 14.568 7.700 ( -7.601 -5.804 0.209) 9.565 7.807 ( 0.979 -2.369 -10.677) 10.981 8.186 ( -3.128 7.877 9.210) 12.516 8.235 ( -14.688 -2.205 -7.701) 16.731 8.327 ( -2.077 -6.855 -2.703) 7.656 8.609 ( -8.932 -3.176 3.240) 10.019 8.834 ( -0.432 2.174 11.003) 11.224 8.880 ( -2.071 -1.936 15.379) 15.638 9.326 ( 3.370 1.180 -2.821) 4.550 9.679 ( -7.708 3.145 1.212) 8.413 10.042 ( -9.158 -0.610 1.824) 9.358 10.062 ( 2.482 7.848 -4.256) 9.266 10.303 ( -8.556 4.242 -4.210) 10.437 10.488 ( -2.001 -9.652 -8.740) 13.174 10.614 ( -3.013 -2.938 -1.756) 4.560 10.685 ( -2.006 0.373 2.584) 3.293 10.808 ( -1.976 -2.452 1.141) 3.349 11.076 ( 5.287 1.755 -7.207) 9.109 11.230 ( -0.075 4.844 -5.982) 7.698 11.417 ( -4.695 -3.305 1.597) 5.959 11.648 ( -0.894 1.996 6.812) 7.154 11.986 ( 8.024 0.524 0.671) 8.069 12.191 ( -14.511 1.297 -1.435) 14.639 12.296 ( -2.282 6.498 1.174) 6.986 12.395 ( 5.187 -2.628 -4.280) 7.220 12.499 ( -0.486 -4.715 -13.401) 14.215 12.649 ( -8.160 -2.772 -1.881) 8.821 12.904 ( 11.328 -0.310 15.558) 19.248 13.108 ( -1.614 -2.036 3.626) 4.461 13.704 ( -4.645 2.888 -4.501) 7.083 13.890 ( 5.382 1.810 -0.217) 5.682 14.052 ( -4.510 -5.376 -2.163) 7.343 14.250 ( 4.392 -2.884 12.157) 13.244 14.389 ( 5.346 -0.221 -4.134) 6.762 14.648 ( 3.469 0.607 2.091) 4.096 14.910 ( 7.136 -0.514 -1.078) 7.236 15.065 ( -5.496 1.312 5.561) 7.927 15.249 ( -6.790 -0.478 -8.645) 11.003 15.496 ( 3.641 0.356 -3.555) 5.101 15.696 ( 8.242 -0.876 -7.615) 11.255 16.116 ( -2.348 -0.653 -1.703) 2.973 16.398 ( -0.926 -2.570 15.979) 16.211 16.659 ( 5.265 -0.256 1.344) 5.440 17.390 ( -7.937 2.976 -13.618) 16.041 18.806 ( 5.226 2.517 3.991) 7.041 18.936 ( -30.416 -3.992 11.511) 32.765 20.495 ( 17.388 1.661 -24.858) 30.382 20.878 ( -10.975 -4.139 15.077) 19.103 22.971 ( 6.564 9.683 14.125) 18.341 23.478 ( -0.224 -4.302 -5.109) 6.683 24.170 ( 4.128 -0.945 -1.066) 4.367 24.292 ( 4.216 -0.856 -3.173) 5.346 ======================= Grid point 415 (195/204) ======================= q-point: (-0.55 0.27 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 2.732 6.969 2.530) 7.902 3.201 ( -4.510 10.713 6.744) 13.439 4.079 ( -16.882 8.339 2.755) 19.030 4.198 ( -20.885 10.114 -8.031) 24.555 4.554 ( 7.242 15.865 2.800) 17.663 4.798 ( 9.566 12.032 3.087) 15.679 5.144 ( -6.448 6.186 -5.316) 10.397 5.424 ( -10.194 -12.684 -4.732) 16.946 5.710 ( 10.762 2.564 -3.009) 11.465 5.876 ( 0.835 -4.050 11.863) 12.563 6.064 ( 0.902 -4.782 7.274) 8.751 6.398 ( -2.486 -15.076 -0.675) 15.295 7.000 ( -12.493 14.692 -2.912) 19.505 7.074 ( 13.411 1.661 -5.631) 14.640 7.595 ( -8.612 -2.104 -0.603) 8.885 7.807 ( 1.039 -3.719 -4.629) 6.029 7.948 ( -13.669 0.082 -9.043) 16.389 8.209 ( 3.438 -1.116 5.541) 6.616 8.376 ( -5.663 -3.345 2.353) 6.985 8.539 ( -3.877 -6.441 0.912) 7.573 8.869 ( 1.872 -1.640 12.896) 13.134 8.930 ( -1.389 -0.671 14.431) 14.514 9.311 ( -0.803 3.887 -0.966) 4.085 9.581 ( -1.128 0.957 -2.748) 3.121 9.931 ( -8.237 -4.548 -1.749) 9.570 9.969 ( 1.153 11.477 -5.985) 12.995 10.110 ( -9.956 -0.447 0.246) 9.969 10.518 ( -2.796 -6.931 -6.220) 9.724 10.599 ( -3.245 -4.425 -1.784) 5.770 10.668 ( -2.056 -3.353 0.462) 3.960 10.834 ( 2.405 -0.511 1.295) 2.779 11.104 ( 5.721 2.695 -7.722) 9.981 11.164 ( -0.973 5.270 -1.406) 5.540 11.365 ( -7.006 -3.702 0.887) 7.974 11.590 ( -4.840 2.904 5.704) 8.025 11.869 ( -17.861 2.434 -0.757) 18.042 12.089 ( 2.170 2.506 4.019) 5.210 12.229 ( 2.382 3.604 -3.383) 5.488 12.436 ( -6.335 -6.394 -6.272) 10.971 12.518 ( 4.830 -2.950 -5.083) 7.607 12.605 ( -1.961 -6.394 -4.473) 8.046 13.130 ( 7.670 0.501 9.203) 11.990 13.170 ( 7.118 -1.143 4.682) 8.596 13.557 ( -7.159 2.481 -9.840) 12.419 13.896 ( -2.740 -2.336 0.582) 3.648 14.115 ( 5.165 -5.655 -5.222) 9.270 14.352 ( 2.963 3.365 6.317) 7.746 14.454 ( 0.858 -2.473 7.781) 8.209 14.671 ( -2.116 1.103 2.395) 3.381 14.939 ( -3.776 -1.203 7.578) 8.552 15.111 ( 7.134 0.981 -1.426) 7.341 15.167 ( 2.081 -1.602 -3.031) 4.010 15.561 ( 6.724 0.808 -4.437) 8.096 15.811 ( 9.352 0.751 -9.438) 13.307 16.086 ( -1.119 -1.960 -3.341) 4.032 16.468 ( -0.317 0.415 10.608) 10.621 16.730 ( 0.731 -4.701 0.811) 4.826 17.225 ( -3.266 1.074 -9.766) 10.353 18.466 ( -25.777 -1.758 10.877) 28.033 18.921 ( -1.912 0.985 2.658) 3.419 20.644 ( 14.623 1.386 -20.357) 25.103 20.848 ( -7.415 -7.097 15.657) 18.722 23.039 ( 9.042 10.615 9.832) 17.062 23.504 ( -0.048 -3.975 -3.170) 5.084 24.230 ( 2.992 0.334 -0.057) 3.011 24.349 ( 3.557 -0.992 -4.285) 5.657 ======================= Grid point 416 (196/204) ======================= q-point: (-0.45 0.27 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 5.948 17.140 -0.011) 18.143 2.969 ( -8.097 22.232 7.315) 24.766 3.650 ( -22.860 12.036 -10.384) 27.844 3.702 ( -22.967 13.298 6.215) 27.257 4.538 ( 2.354 -1.336 -2.463) 3.660 4.815 ( 7.504 18.608 9.791) 22.326 5.010 ( 0.720 8.573 -3.018) 9.118 5.350 ( -8.843 -7.488 -8.504) 14.373 5.705 ( 1.878 6.079 6.031) 8.767 5.932 ( -7.359 -5.182 6.641) 11.185 6.076 ( -5.036 0.581 -2.109) 5.491 6.448 ( -11.477 5.345 -3.790) 13.215 6.781 ( 4.701 -1.826 7.505) 9.042 7.256 ( 11.127 -2.626 -8.366) 14.167 7.508 ( -1.022 3.550 -0.744) 3.768 7.715 ( -10.642 -1.856 -7.610) 13.214 7.873 ( 2.543 -4.722 -2.629) 5.973 8.208 ( -14.235 -0.223 4.836) 15.035 8.370 ( 7.594 -6.067 5.630) 11.232 8.613 ( 3.610 -5.049 -0.408) 6.220 8.932 ( -3.267 0.502 17.266) 17.580 9.083 ( 10.563 -7.317 2.117) 13.023 9.260 ( -1.060 0.243 -2.223) 2.474 9.572 ( 2.018 1.140 -3.681) 4.349 9.829 ( -5.088 -0.772 -5.206) 7.320 9.858 ( -11.498 -4.360 1.311) 12.366 10.011 ( 1.558 2.628 -2.350) 3.854 10.507 ( -3.016 -5.783 -4.598) 7.980 10.571 ( -3.593 -0.882 4.321) 5.688 10.682 ( -1.521 -6.251 -4.795) 8.024 10.875 ( 2.608 3.970 0.159) 4.753 11.063 ( -5.480 4.350 3.275) 7.725 11.139 ( 3.410 1.443 -6.260) 7.273 11.256 ( -11.394 -2.922 2.477) 12.020 11.508 ( -4.215 0.525 0.942) 4.351 11.682 ( -2.262 -2.213 0.710) 3.244 12.041 ( -6.499 -0.524 2.953) 7.158 12.264 ( 0.767 1.173 -0.105) 1.405 12.357 ( -0.735 -1.251 -7.887) 8.019 12.592 ( 0.847 -4.304 -2.498) 5.048 12.649 ( 0.688 -5.954 0.116) 5.995 13.190 ( -4.732 1.303 2.856) 5.679 13.335 ( 9.859 1.170 2.822) 10.322 13.427 ( 0.884 -2.110 -10.769) 11.010 13.908 ( -0.856 -4.906 1.795) 5.294 14.194 ( 0.858 -4.069 -6.201) 7.466 14.333 ( -1.588 5.195 1.989) 5.785 14.530 ( 2.922 4.136 11.287) 12.371 14.597 ( -6.295 -3.328 1.517) 7.281 14.932 ( -3.554 -2.268 5.066) 6.591 15.170 ( 7.489 2.869 -2.311) 8.347 15.320 ( 9.013 -1.319 3.493) 9.756 15.629 ( 5.561 4.207 -3.739) 7.912 15.865 ( 4.389 5.091 -8.458) 10.803 16.124 ( 3.559 -6.779 -2.525) 8.062 16.475 ( 0.434 1.784 6.976) 7.213 16.795 ( -2.491 -9.741 -0.543) 10.069 17.173 ( -1.310 -3.548 -6.999) 7.955 18.219 ( -13.415 -2.991 11.969) 18.225 18.790 ( -11.376 3.721 0.479) 11.979 20.769 ( 11.356 -0.182 -16.835) 20.308 20.898 ( -4.515 -8.528 14.645) 17.538 23.142 ( 10.585 7.627 7.019) 14.815 23.519 ( -0.838 -2.407 -2.552) 3.607 24.259 ( 2.137 2.473 1.562) 3.623 24.383 ( 2.253 -0.157 -5.642) 6.077 ======================= Grid point 417 (197/204) ======================= q-point: (-0.36 0.27 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 10.077 22.417 -5.608) 25.210 2.583 ( -12.656 27.433 6.844) 30.977 3.126 ( -14.957 19.222 -2.220) 24.457 3.245 ( -18.646 12.641 -2.658) 22.683 4.659 ( 8.089 3.078 4.147) 9.597 4.772 ( 4.645 17.274 15.948) 23.964 4.904 ( 0.185 11.800 -3.454) 12.297 5.204 ( -9.323 -1.440 -14.071) 16.941 5.736 ( 1.588 4.116 13.063) 13.787 5.876 ( -4.563 -4.484 4.950) 8.088 5.938 ( -8.044 2.627 -6.271) 10.533 6.119 ( -10.394 4.399 -12.878) 17.124 6.972 ( 6.887 -2.693 10.653) 12.968 7.277 ( -7.315 -2.245 -6.618) 10.116 7.545 ( 6.941 2.207 2.765) 7.790 7.623 ( 0.778 0.139 -7.463) 7.505 7.934 ( 1.669 -2.794 -3.104) 4.498 8.031 ( -9.695 -1.288 4.921) 10.949 8.584 ( 5.693 -8.291 6.082) 11.753 8.706 ( 1.171 -4.788 -1.880) 5.275 9.008 ( 5.845 -4.054 9.324) 11.728 9.235 ( -2.786 -5.216 1.543) 6.112 9.337 ( 9.967 -5.422 -7.924) 13.840 9.544 ( -3.746 4.503 -0.117) 5.859 9.727 ( -6.977 -8.546 -4.650) 11.972 9.763 ( -4.634 -2.851 1.192) 5.570 10.104 ( 10.252 -0.476 3.496) 10.842 10.493 ( -4.154 -5.875 -5.579) 9.105 10.551 ( -2.969 -0.610 7.123) 7.741 10.657 ( -5.510 0.060 -5.304) 7.648 10.827 ( 2.387 5.045 -4.711) 7.304 10.948 ( -6.680 3.140 5.865) 9.428 11.128 ( -1.521 -3.483 -3.433) 5.122 11.151 ( -6.434 -4.009 3.553) 8.372 11.541 ( 6.739 -3.404 -3.088) 8.157 11.750 ( 1.306 -4.451 3.324) 5.707 11.958 ( -4.719 -1.823 1.612) 5.309 12.163 ( -9.699 -1.863 -1.587) 10.003 12.419 ( 9.209 3.965 -3.733) 10.699 12.603 ( -3.424 -3.435 -2.305) 5.370 12.737 ( 2.926 -3.958 6.730) 8.338 13.044 ( -9.985 -2.987 -6.482) 12.274 13.460 ( 4.708 0.978 -0.940) 4.900 13.483 ( 5.697 0.546 -2.150) 6.113 13.991 ( 5.046 -5.056 0.854) 7.194 14.195 ( -0.960 -2.229 -4.259) 4.902 14.242 ( -3.120 6.455 5.886) 9.276 14.452 ( -9.406 -1.658 -1.179) 9.623 14.663 ( 6.496 1.439 6.122) 9.041 14.891 ( -5.399 -0.923 0.942) 5.558 15.265 ( 8.794 5.485 1.019) 10.414 15.438 ( 1.516 1.172 2.336) 3.021 15.613 ( 5.435 8.955 -5.653) 11.904 15.790 ( -2.935 5.763 -2.886) 7.082 16.315 ( 8.591 -10.115 -0.502) 13.281 16.530 ( -0.678 -4.423 5.963) 7.455 16.856 ( 3.012 -8.320 -1.622) 8.996 17.167 ( -6.830 -11.286 -3.917) 13.761 18.182 ( -0.049 -0.812 9.705) 9.739 18.530 ( -14.350 4.067 -2.080) 15.059 20.879 ( 8.905 -3.261 -15.240) 17.949 20.969 ( -5.132 -8.554 14.114) 17.284 23.276 ( 9.800 4.016 5.084) 11.748 23.497 ( -2.881 -0.947 -2.713) 4.069 24.270 ( 2.232 4.148 3.741) 6.016 24.368 ( -0.114 1.864 -6.717) 6.971 ======================= Grid point 418 (198/204) ======================= q-point: (-0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 10.761 22.547 -11.849) 27.651 2.124 ( -10.761 22.547 11.849) 27.651 2.874 ( 2.167 17.740 -23.094) 29.202 2.874 ( -2.167 17.740 23.094) 29.202 4.597 ( -1.759 24.199 -9.002) 25.879 4.597 ( 1.759 24.199 9.002) 25.879 4.978 ( -6.720 4.284 -17.581) 19.303 4.978 ( 6.720 4.284 17.581) 19.303 5.761 ( -1.010 2.958 -13.413) 13.772 5.761 ( 1.010 2.958 13.413) 13.772 5.985 ( -4.271 -7.972 -9.313) 12.981 5.985 ( 4.271 -7.972 9.313) 12.981 7.159 ( -5.696 -5.784 -9.450) 12.458 7.159 ( 5.696 -5.784 9.450) 12.458 7.589 ( 0.944 3.929 -11.374) 12.071 7.589 ( -0.944 3.929 11.374) 12.071 7.972 ( 2.962 -2.069 -5.720) 6.766 7.972 ( -2.962 -2.069 5.721) 6.766 8.740 ( -0.264 -6.294 -5.807) 8.568 8.740 ( 0.264 -6.294 5.807) 8.568 9.225 ( 2.699 -7.430 -12.638) 14.907 9.225 ( -2.699 -7.430 12.638) 14.907 9.429 ( 4.319 1.896 -9.967) 11.027 9.429 ( -4.319 1.896 9.967) 11.027 9.767 ( 2.342 -6.991 -5.833) 9.401 9.767 ( -2.342 -6.991 5.833) 9.401 10.348 ( -14.664 -1.975 -6.290) 16.077 10.348 ( 14.664 -1.975 6.290) 16.077 10.563 ( 0.002 -0.388 -5.008) 5.023 10.563 ( -0.002 -0.388 5.008) 5.023 10.852 ( 3.991 1.506 -9.369) 10.294 10.852 ( -3.991 1.506 9.369) 10.294 11.152 ( 0.595 -5.280 -2.778) 5.996 11.152 ( -0.595 -5.280 2.778) 5.996 11.721 ( 5.120 -4.630 -3.157) 7.591 11.721 ( -5.120 -4.630 3.157) 7.591 12.020 ( -8.166 -0.798 -1.357) 8.316 12.020 ( 8.166 -0.798 1.357) 8.316 12.515 ( -0.042 1.535 -4.907) 5.141 12.515 ( 0.042 1.535 4.907) 5.141 12.904 ( -8.489 -4.929 -8.248) 12.821 12.904 ( 8.489 -4.929 8.248) 12.821 13.494 ( 2.730 2.216 -4.425) 5.652 13.494 ( -2.730 2.216 4.425) 5.652 14.117 ( 1.691 3.048 -4.106) 5.385 14.117 ( -1.691 3.048 4.106) 5.385 14.301 ( -8.856 -3.354 -3.826) 10.214 14.301 ( 8.856 -3.354 3.826) 10.214 14.780 ( -6.373 1.404 -3.407) 7.362 14.780 ( 6.373 1.404 3.407) 7.362 15.329 ( -2.199 8.083 -6.060) 10.339 15.329 ( 2.199 8.083 6.060) 10.339 15.651 ( -7.145 4.619 0.515) 8.524 15.651 ( 7.145 4.619 -0.515) 8.524 16.530 ( -5.595 -6.838 -1.545) 8.969 16.530 ( 5.595 -6.838 1.545) 8.969 17.120 ( -12.007 -14.741 -4.437) 19.523 17.120 ( 12.007 -14.741 4.437) 19.523 18.283 ( -8.962 2.290 -5.423) 10.723 18.283 ( 8.962 2.290 5.423) 10.723 21.007 ( 8.126 -8.382 -20.481) 23.574 21.007 ( -8.126 -8.382 20.481) 23.574 23.408 ( -2.716 0.969 -8.577) 9.049 23.408 ( 2.716 0.969 8.577) 9.049 24.284 ( -1.975 4.969 -7.348) 9.088 24.284 ( 1.975 4.969 7.348) 9.088 ======================= Grid point 426 (199/204) ======================= q-point: ( 0.36 -0.64 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 7.679 0.000 11.422) 13.763 3.283 ( -4.189 -0.000 4.618) 6.235 4.224 ( -12.218 -0.000 -10.025) 15.805 4.248 ( -29.075 -0.000 3.775) 29.319 4.832 ( 9.312 0.000 8.099) 12.342 4.918 ( 3.506 0.000 -2.117) 4.096 5.170 ( -1.371 -0.000 6.355) 6.501 5.261 ( -13.089 -0.000 -20.627) 24.429 5.671 ( 23.182 0.000 3.588) 23.458 5.944 ( 1.393 0.000 3.396) 3.671 5.976 ( -2.682 -0.000 6.845) 7.352 6.200 ( -0.166 -0.000 -0.444) 0.474 7.092 ( 11.397 0.000 -4.273) 12.172 7.185 ( -15.474 -0.000 -1.713) 15.569 7.555 ( -5.407 -0.000 0.354) 5.418 7.783 ( 0.992 0.000 -4.227) 4.342 7.929 ( -12.374 -0.000 -11.552) 16.928 8.205 ( 2.254 0.000 -6.844) 7.206 8.378 ( 5.051 0.000 14.823) 15.660 8.420 ( -13.429 -0.000 2.596) 13.677 8.866 ( -4.194 -0.000 17.850) 18.336 8.910 ( 0.643 0.000 11.282) 11.300 9.365 ( 1.559 0.000 -2.298) 2.777 9.586 ( -5.741 -0.000 -0.657) 5.779 9.872 ( -9.069 -0.000 0.258) 9.073 10.109 ( -11.122 -0.000 1.298) 11.197 10.203 ( 1.711 0.000 -7.076) 7.280 10.320 ( -2.842 -0.000 -11.137) 11.494 10.557 ( -1.633 -0.000 -2.512) 2.996 10.653 ( -3.459 -0.000 2.983) 4.567 10.829 ( 3.846 0.000 1.638) 4.180 11.132 ( 4.971 0.000 -8.298) 9.673 11.250 ( 1.097 0.000 -4.935) 5.056 11.298 ( -8.261 -0.000 2.828) 8.731 11.630 ( -5.697 -0.000 6.936) 8.976 11.894 ( -18.944 -0.000 -0.509) 18.951 12.143 ( 6.562 0.000 2.103) 6.891 12.231 ( -11.257 -0.000 0.355) 11.262 12.365 ( 0.652 0.000 -6.823) 6.855 12.487 ( 4.734 0.000 -6.903) 8.370 12.539 ( -1.530 -0.000 -4.076) 4.354 13.137 ( 4.110 0.000 4.867) 6.370 13.154 ( 12.397 0.000 7.876) 14.687 13.594 ( -8.199 -0.000 -10.340) 13.196 13.891 ( -6.170 -0.000 -0.039) 6.171 14.024 ( 7.268 0.000 -5.215) 8.946 14.380 ( 5.619 0.000 17.335) 18.223 14.433 ( 1.054 0.000 -1.603) 1.918 14.688 ( -1.613 -0.000 1.932) 2.517 14.925 ( -4.310 -0.000 7.182) 8.376 15.126 ( 8.270 0.000 2.659) 8.687 15.142 ( 0.344 0.000 -6.883) 6.892 15.566 ( 6.916 0.000 -5.560) 8.874 15.818 ( 10.898 0.000 -8.282) 13.688 16.071 ( -1.596 -0.000 -2.739) 3.170 16.459 ( 1.839 0.000 13.645) 13.768 16.697 ( -1.639 -0.000 -2.104) 2.668 17.237 ( -5.058 -0.000 -10.980) 12.089 18.446 ( -26.962 -0.000 10.646) 28.988 18.935 ( 0.740 0.000 1.917) 2.055 20.660 ( 14.252 0.000 -21.889) 26.120 20.778 ( -7.308 -0.000 18.038) 19.462 23.164 ( 4.204 0.000 15.591) 16.148 23.448 ( 2.569 0.000 -8.624) 8.999 24.232 ( 4.296 0.000 -0.776) 4.366 24.337 ( 3.512 0.000 -3.275) 4.802 ======================= Grid point 428 (200/204) ======================= q-point: (-0.55 0.36 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 12.789 11.195 16.011) 23.351 3.224 ( -3.979 3.576 4.325) 6.879 3.775 ( -26.668 4.380 6.248) 27.738 3.917 ( -18.329 4.033 -6.708) 19.930 4.626 ( -12.058 12.407 -9.451) 19.714 4.937 ( -9.715 -13.760 -12.431) 20.934 5.125 ( 4.988 6.494 2.317) 8.510 5.267 ( 5.925 2.813 1.039) 6.641 5.784 ( -0.526 2.022 -3.451) 4.034 5.904 ( -3.842 1.904 5.059) 6.632 6.156 ( 3.871 5.906 6.614) 9.675 6.344 ( 12.283 -12.455 12.130) 21.287 6.868 ( -12.999 6.790 -6.458) 16.024 7.205 ( 4.715 -1.845 -8.578) 9.961 7.551 ( 4.686 -0.237 -0.360) 4.706 7.728 ( -7.062 2.810 -10.641) 13.077 7.801 ( 0.966 -2.071 1.645) 2.816 8.199 ( -14.774 -0.364 4.458) 15.437 8.286 ( 8.115 -2.874 -4.157) 9.560 8.520 ( 2.984 -3.078 7.653) 8.772 8.899 ( -1.861 -2.367 16.667) 16.937 8.990 ( 3.758 -1.980 10.015) 10.878 9.323 ( -2.433 5.226 -2.832) 6.422 9.527 ( -3.238 -5.140 -1.819) 6.342 9.747 ( -8.921 -1.930 0.726) 9.157 9.897 ( -10.356 1.733 -4.216) 11.315 10.138 ( 2.913 9.730 -4.172) 10.980 10.348 ( -0.925 -10.168 -6.102) 11.895 10.541 ( -0.037 -1.387 -2.111) 2.526 10.616 ( -2.230 -0.936 1.789) 3.008 10.908 ( 4.662 0.265 1.100) 4.797 11.148 ( -7.628 3.041 2.440) 8.566 11.170 ( 3.515 1.052 -6.740) 7.674 11.217 ( -7.993 -1.150 -0.147) 8.077 11.553 ( -7.189 3.771 2.512) 8.498 11.632 ( -8.128 -3.169 1.124) 8.796 12.034 ( -10.594 -0.105 0.341) 10.600 12.199 ( -4.691 -3.522 -0.044) 5.866 12.393 ( 7.753 1.719 -6.326) 10.153 12.531 ( 0.669 -1.649 -2.271) 2.885 12.557 ( 3.554 -2.811 -0.354) 4.545 13.205 ( -4.655 0.439 5.430) 7.165 13.350 ( 9.405 0.122 1.944) 9.605 13.417 ( 0.498 0.567 -15.047) 15.066 13.845 ( -1.493 -1.398 2.390) 3.146 14.092 ( 0.799 -4.150 -4.143) 5.918 14.405 ( -3.049 1.900 3.328) 4.897 14.539 ( 3.367 -0.787 6.965) 7.777 14.613 ( -3.581 1.895 2.557) 4.791 14.896 ( -3.451 -1.167 6.244) 7.230 15.207 ( 8.610 0.932 -1.485) 8.787 15.289 ( 8.692 -1.278 4.013) 9.659 15.667 ( 7.989 0.459 -4.147) 9.013 15.942 ( 7.855 2.206 -8.151) 11.532 16.048 ( 0.711 -1.467 -2.056) 2.624 16.527 ( -0.449 3.193 5.564) 6.431 16.628 ( -4.597 -6.325 0.588) 7.842 17.137 ( -3.838 -0.706 -10.243) 10.962 18.179 ( -11.792 -1.013 11.482) 16.490 18.849 ( -10.354 1.720 -0.096) 10.496 20.772 ( 8.656 0.210 -12.819) 15.469 20.788 ( -1.284 -2.725 11.977) 12.350 23.263 ( 4.461 3.999 12.207) 13.597 23.470 ( 2.198 -2.094 -7.654) 8.234 24.291 ( 3.508 0.833 0.056) 3.606 24.374 ( 2.399 -0.440 -3.371) 4.161 ======================= Grid point 429 (201/204) ======================= q-point: (-0.45 0.36 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 13.358 24.055 9.715) 29.180 3.055 ( -7.758 16.894 3.005) 18.832 3.395 ( -14.272 6.613 -4.481) 16.356 3.508 ( -19.269 14.415 1.613) 24.118 4.474 ( 0.951 -10.345 1.407) 10.483 4.851 ( -11.742 -17.692 -15.981) 26.576 5.147 ( 5.535 13.745 8.048) 16.862 5.257 ( 1.315 9.569 -4.078) 10.485 5.772 ( 0.793 0.192 2.555) 2.682 5.837 ( -4.727 0.162 4.861) 6.782 6.104 ( 0.172 11.618 5.017) 12.656 6.340 ( -10.336 13.324 -7.486) 18.450 6.898 ( 10.291 -5.525 9.443) 15.020 7.231 ( -2.196 -3.560 -9.635) 10.503 7.574 ( -0.229 0.816 -5.973) 6.033 7.642 ( 5.928 3.397 -2.465) 7.264 7.867 ( 1.585 -4.450 0.869) 4.803 8.008 ( -11.410 -0.838 5.187) 12.562 8.453 ( 8.086 -4.812 0.268) 9.413 8.601 ( 0.176 -4.866 1.012) 4.973 8.964 ( 0.162 -1.214 15.549) 15.598 9.140 ( 1.578 -4.126 -0.179) 4.421 9.242 ( 3.144 -1.773 -4.025) 5.406 9.534 ( -7.980 -10.284 -1.763) 13.136 9.621 ( -3.587 2.689 0.996) 4.592 9.741 ( -6.200 0.143 -2.456) 6.670 10.146 ( 8.094 4.213 0.916) 9.171 10.378 ( -2.666 -5.581 -4.788) 7.822 10.550 ( 0.228 0.131 2.425) 2.440 10.625 ( 0.681 -2.004 -4.107) 4.620 10.950 ( -0.433 4.114 2.352) 4.759 11.009 ( -6.160 4.048 -0.856) 7.421 11.056 ( -8.267 -3.072 2.251) 9.102 11.134 ( -3.840 1.657 -1.690) 4.510 11.480 ( 3.228 -2.377 -2.509) 4.729 11.657 ( -1.421 -4.696 3.059) 5.781 11.918 ( -3.762 -1.838 1.087) 4.326 12.111 ( -8.135 -2.541 -2.513) 8.885 12.485 ( 7.061 2.035 -2.503) 7.763 12.551 ( 0.288 -1.884 -1.458) 2.399 12.658 ( 4.470 -3.315 4.298) 7.032 13.011 ( -13.177 -0.252 -4.913) 14.065 13.471 ( 5.976 0.198 -2.520) 6.488 13.492 ( 7.012 0.303 -2.750) 7.539 13.890 ( 3.407 -4.175 1.775) 5.674 14.101 ( -4.305 -5.666 -1.218) 7.220 14.344 ( -3.220 3.592 7.597) 8.999 14.449 ( -6.245 0.785 -6.920) 9.354 14.697 ( 6.441 1.608 5.951) 8.916 14.871 ( -3.905 -1.003 2.796) 4.906 15.335 ( 8.623 2.033 0.449) 8.871 15.430 ( 4.045 -1.242 3.441) 5.454 15.745 ( 5.834 4.209 -3.365) 7.942 15.908 ( -2.906 4.665 -3.051) 6.286 16.160 ( 9.581 -4.346 -3.137) 10.979 16.454 ( -7.257 -3.387 2.850) 8.501 16.714 ( 4.374 -5.304 3.634) 7.776 17.023 ( -7.853 -4.033 -8.884) 12.524 18.174 ( 3.687 -0.113 9.514) 10.204 18.604 ( -15.310 2.929 -2.294) 15.755 20.841 ( 3.344 -1.437 -2.029) 4.168 20.852 ( 1.204 -3.129 1.956) 3.882 23.345 ( 4.776 2.844 8.284) 9.976 23.476 ( -0.168 -1.111 -6.035) 6.139 24.328 ( 2.423 1.876 1.870) 3.590 24.387 ( 0.644 0.258 -3.926) 3.986 ======================= Grid point 430 (202/204) ======================= q-point: (-0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -14.056 27.816 -1.702) 31.212 2.648 ( 14.056 27.816 1.702) 31.212 3.180 ( 5.205 12.988 -13.913) 19.732 3.180 ( -5.205 12.988 13.913) 19.732 4.773 ( -8.377 -14.330 -15.614) 22.788 4.773 ( 8.377 -14.330 15.614) 22.788 5.092 ( -2.596 16.102 -9.829) 19.042 5.092 ( 2.596 16.102 9.829) 19.042 5.806 ( 0.498 -0.953 -10.634) 10.689 5.806 ( -0.498 -0.953 10.634) 10.689 6.028 ( -4.389 13.267 -10.462) 17.457 6.028 ( 4.389 13.267 10.462) 17.457 7.107 ( -6.135 -1.034 -9.731) 11.550 7.107 ( 6.135 -1.034 9.731) 11.550 7.632 ( -1.558 0.529 -5.487) 5.729 7.632 ( 1.558 0.529 5.487) 5.729 7.927 ( 2.461 -2.509 -1.492) 3.819 7.927 ( -2.461 -2.509 1.492) 3.819 8.617 ( -0.488 -5.840 -7.952) 9.878 8.617 ( 0.488 -5.840 7.952) 9.878 9.091 ( -0.544 -4.709 -14.851) 15.589 9.091 ( 0.544 -4.709 14.851) 15.589 9.420 ( 4.530 -4.324 -6.851) 9.282 9.420 ( -4.530 -4.324 6.851) 9.282 9.661 ( 2.840 -2.472 -3.313) 5.015 9.661 ( -2.840 -2.472 3.313) 5.015 10.303 ( -10.060 -1.905 -4.654) 11.246 10.303 ( 10.060 -1.905 4.654) 11.246 10.579 ( -2.938 1.288 -3.942) 5.082 10.579 ( 2.938 1.288 3.942) 5.082 10.900 ( 3.452 3.034 -9.646) 10.685 10.900 ( -3.452 3.034 9.646) 10.685 11.074 ( 0.488 -2.431 -3.304) 4.131 11.074 ( -0.488 -2.431 3.304) 4.131 11.622 ( 4.519 -5.100 -2.670) 7.319 11.622 ( -4.519 -5.100 2.670) 7.319 11.990 ( -7.387 -1.932 -2.546) 8.049 11.990 ( 7.387 -1.932 2.546) 8.049 12.542 ( 0.507 0.761 -3.116) 3.247 12.542 ( -0.507 0.761 3.116) 3.247 12.819 ( -8.583 -3.135 -7.384) 11.748 12.819 ( 8.583 -3.135 7.384) 11.748 13.523 ( 1.830 0.829 -2.586) 3.275 13.523 ( -1.830 0.829 2.586) 3.275 14.055 ( -8.206 -6.451 -0.402) 10.446 14.055 ( 8.206 -6.451 0.402) 10.446 14.324 ( -2.313 3.536 -8.403) 9.406 14.324 ( 2.313 3.536 8.403) 9.406 14.800 ( -5.830 0.573 -1.297) 6.000 14.800 ( 5.830 0.573 1.297) 6.000 15.428 ( -0.650 2.174 -3.949) 4.555 15.428 ( 0.650 2.174 3.949) 4.555 15.770 ( -0.528 6.530 -2.012) 6.854 15.770 ( 0.528 6.530 2.012) 6.854 16.379 ( -5.124 -7.355 -2.834) 9.401 16.379 ( 5.124 -7.355 2.834) 9.401 16.907 ( -9.538 -7.199 -5.425) 13.124 16.907 ( 9.538 -7.199 5.425) 13.124 18.330 ( -12.016 2.252 -5.546) 13.424 18.330 ( 12.016 2.252 5.546) 13.424 20.893 ( 5.758 -3.608 -19.732) 20.870 20.893 ( -5.758 -3.608 19.732) 20.870 23.426 ( -0.504 0.754 -10.543) 10.582 23.426 ( 0.504 0.754 10.543) 10.582 24.351 ( -1.170 2.114 -4.768) 5.345 24.351 ( 1.170 2.114 4.768) 5.345 ======================= Grid point 440 (203/204) ======================= q-point: ( 0.45 -0.55 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.978 ( 15.698 0.000 19.528) 25.055 3.190 ( -2.771 -0.000 -0.808) 2.886 3.454 ( -17.074 -0.000 8.054) 18.878 3.662 ( -13.237 -0.000 -4.980) 14.143 4.487 ( -14.531 -0.000 0.201) 14.532 4.504 ( -9.834 -0.000 -25.346) 27.187 5.269 ( 4.964 0.000 5.239) 7.217 5.373 ( 2.256 0.000 -2.312) 3.230 5.778 ( 1.210 0.000 -3.248) 3.466 5.850 ( -5.814 -0.000 7.312) 9.341 6.270 ( 2.326 0.000 7.088) 7.460 6.473 ( -2.453 -0.000 -0.570) 2.518 6.819 ( 9.858 0.000 6.223) 11.658 7.179 ( -0.211 -0.000 -12.042) 12.044 7.578 ( 0.682 0.000 -7.009) 7.043 7.750 ( -7.272 -0.000 3.637) 8.131 7.760 ( 9.065 0.000 -4.666) 10.195 8.000 ( -11.027 -0.000 7.493) 13.332 8.399 ( 10.467 0.000 -8.487) 13.475 8.551 ( -1.913 -0.000 7.080) 7.334 8.951 ( 2.423 0.000 13.766) 13.978 9.082 ( 3.964 0.000 7.741) 8.697 9.287 ( -4.861 -0.000 -5.733) 7.516 9.378 ( -7.307 -0.000 -1.403) 7.440 9.646 ( -3.426 -0.000 2.061) 3.998 9.746 ( -6.813 -0.000 -4.102) 7.953 10.223 ( 2.610 0.000 -0.897) 2.760 10.292 ( 2.200 0.000 -4.488) 4.998 10.552 ( 2.619 0.000 0.018) 2.619 10.602 ( 1.185 0.000 -2.076) 2.391 10.977 ( 1.991 0.000 2.234) 2.992 11.018 ( -10.343 -0.000 6.727) 12.338 11.075 ( -6.628 -0.000 -5.119) 8.374 11.163 ( -4.004 -0.000 -2.537) 4.740 11.459 ( -0.277 -0.000 -2.358) 2.374 11.597 ( -2.062 -0.000 3.555) 4.110 11.898 ( -3.053 -0.000 1.103) 3.246 12.084 ( -7.041 -0.000 -3.010) 7.657 12.500 ( 5.180 0.000 -2.749) 5.864 12.529 ( 0.676 0.000 -0.127) 0.687 12.627 ( 6.648 0.000 3.235) 7.394 13.015 ( -14.002 -0.000 -4.456) 14.694 13.473 ( 6.182 0.000 -2.002) 6.498 13.494 ( 7.471 0.000 -4.738) 8.846 13.847 ( 2.300 0.000 1.621) 2.814 14.035 ( -4.662 -0.000 1.085) 4.787 14.380 ( -3.442 -0.000 8.136) 8.835 14.459 ( -4.394 -0.000 -9.028) 10.041 14.715 ( 5.548 0.000 5.731) 7.977 14.859 ( -3.280 -0.000 3.442) 4.754 15.356 ( 8.390 0.000 -0.424) 8.401 15.412 ( 4.694 0.000 4.267) 6.343 15.787 ( 7.392 0.000 -1.781) 7.603 15.945 ( -3.569 -0.000 -0.829) 3.664 16.134 ( 10.263 0.000 -7.640) 12.795 16.414 ( -10.982 -0.000 2.208) 11.201 16.662 ( 6.058 0.000 6.054) 8.565 16.985 ( -8.460 -0.000 -10.565) 13.535 18.173 ( 5.038 0.000 9.356) 10.626 18.634 ( -15.843 -0.000 -2.270) 16.005 20.813 ( -1.927 -0.000 18.235) 18.336 20.837 ( 6.803 0.000 -18.005) 19.247 23.378 ( 1.496 0.000 13.017) 13.102 23.461 ( 2.297 0.000 -10.796) 11.038 24.347 ( 2.596 0.000 0.424) 2.631 24.387 ( 0.834 0.000 -2.216) 2.368 ======================= Grid point 442 (204/204) ======================= q-point: (-0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -3.906 13.450 -5.774) 15.149 3.096 ( 3.906 13.450 5.774) 15.149 3.391 ( -6.827 8.266 -7.064) 12.839 3.391 ( 6.827 8.266 7.064) 12.839 4.434 ( -2.914 -13.990 -13.995) 20.002 4.434 ( 2.914 -13.990 13.995) 20.002 5.322 ( -2.257 5.790 -4.447) 7.642 5.322 ( 2.257 5.790 4.447) 7.642 5.799 ( 2.778 0.300 -5.763) 6.405 5.799 ( -2.778 0.300 5.763) 6.405 6.304 ( -5.309 10.441 -8.220) 14.310 6.304 ( 5.309 10.441 8.220) 14.310 7.070 ( -8.785 -2.556 -12.033) 15.117 7.070 ( 8.785 -2.556 12.033) 15.117 7.625 ( 4.491 -0.643 -3.218) 5.563 7.625 ( -4.491 -0.643 3.218) 5.563 7.890 ( 7.285 -0.887 -6.294) 9.668 7.890 ( -7.285 -0.887 6.294) 9.668 8.524 ( 4.449 -2.925 -7.468) 9.172 8.524 ( -4.449 -2.925 7.468) 9.172 9.063 ( -4.873 1.167 -10.245) 11.405 9.063 ( 4.873 1.167 10.245) 11.405 9.296 ( -7.423 -5.697 -1.164) 9.429 9.296 ( 7.423 -5.697 1.164) 9.429 9.652 ( -2.686 0.293 -2.824) 3.908 9.652 ( 2.686 0.293 2.824) 3.908 10.279 ( -3.793 -0.594 -3.090) 4.929 10.279 ( 3.793 -0.594 3.090) 4.929 10.599 ( -1.325 0.526 -4.879) 5.083 10.599 ( 1.325 0.526 4.879) 5.083 10.940 ( 0.533 0.597 -7.243) 7.287 10.940 ( -0.533 0.597 7.243) 7.287 11.068 ( -1.741 1.278 -0.548) 2.228 11.068 ( 1.741 1.278 0.548) 2.228 11.537 ( 6.773 -2.866 -3.517) 8.152 11.537 ( -6.773 -2.866 3.517) 8.152 11.958 ( -6.763 -0.973 -2.988) 7.457 11.958 ( 6.763 -0.973 2.988) 7.457 12.538 ( 0.517 -0.670 -1.241) 1.502 12.538 ( -0.517 -0.670 1.241) 1.502 12.790 ( -10.654 -0.201 -5.349) 11.923 12.790 ( 10.654 -0.201 5.349) 11.923 13.532 ( 1.210 0.146 -1.026) 1.593 13.532 ( -1.210 0.146 1.026) 1.593 13.951 ( -7.864 -3.129 1.403) 8.579 13.951 ( 7.864 -3.129 -1.403) 8.579 14.378 ( 0.140 1.490 -10.255) 10.364 14.378 ( -0.140 1.490 10.255) 10.364 14.805 ( -4.525 0.096 -0.367) 4.541 14.805 ( 4.525 0.096 0.367) 4.541 15.445 ( 1.861 0.113 -2.480) 3.103 15.445 ( -1.861 0.113 2.480) 3.103 15.866 ( -2.465 2.560 -1.049) 3.706 15.866 ( 2.465 2.560 1.049) 3.706 16.278 ( 4.912 -2.524 -5.993) 8.150 16.278 ( -4.912 -2.524 5.993) 8.150 16.816 ( -8.492 -2.221 -7.592) 11.605 16.816 ( 8.492 -2.221 7.592) 11.605 18.364 ( -13.941 0.943 -5.372) 14.970 18.364 ( 13.941 0.943 5.372) 14.970 20.851 ( 3.877 -0.971 -18.005) 18.443 20.851 ( -3.877 -0.971 18.005) 18.443 23.436 ( 0.354 0.280 -11.680) 11.689 23.436 ( -0.354 0.280 11.680) 11.689 24.376 ( -0.871 0.565 -2.012) 2.264 24.376 ( 0.871 0.565 2.012) 2.264 =================== 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 3/47916 10.0 1533.364 1557.908 1250.804 -0.000 145.967 0.000 3/47916 20.0 528.766 551.596 498.081 -0.000 39.601 0.000 3/47916 30.0 238.956 245.158 213.622 -0.000 18.619 0.000 3/47916 40.0 130.676 133.674 113.722 -0.000 10.220 0.000 3/47916 50.0 79.473 80.619 68.543 -0.000 6.257 0.000 3/47916 60.0 52.014 52.221 44.747 -0.000 4.196 0.000 3/47916 70.0 36.173 35.979 31.127 -0.000 3.021 0.000 3/47916 80.0 26.497 26.157 22.840 -0.000 2.294 0.000 3/47916 90.0 20.282 19.903 17.526 -0.000 1.814 0.000 3/47916 100.0 16.107 15.730 13.958 -0.000 1.481 0.000 3/47916 110.0 13.188 12.829 11.462 -0.000 1.239 0.000 3/47916 120.0 11.077 10.738 9.655 -0.000 1.058 0.000 3/47916 130.0 9.502 9.183 8.305 -0.000 0.918 0.000 3/47916 140.0 8.297 7.994 7.271 -0.000 0.807 0.000 3/47916 150.0 7.353 7.064 6.459 -0.000 0.718 0.000 3/47916 160.0 6.598 6.321 5.810 -0.000 0.644 0.000 3/47916 170.0 5.984 5.717 5.280 -0.000 0.582 0.000 3/47916 180.0 5.477 5.219 4.842 -0.000 0.530 0.000 3/47916 190.0 5.052 4.801 4.475 -0.000 0.485 0.000 3/47916 200.0 4.691 4.446 4.162 -0.000 0.446 0.000 3/47916 210.0 4.381 4.142 3.894 -0.000 0.412 0.000 3/47916 220.0 4.112 3.879 3.661 -0.000 0.382 0.000 3/47916 230.0 3.877 3.649 3.457 -0.000 0.356 0.000 3/47916 240.0 3.669 3.446 3.276 -0.000 0.332 0.000 3/47916 250.0 3.484 3.266 3.116 -0.000 0.311 0.000 3/47916 260.0 3.319 3.105 2.972 -0.000 0.292 0.000 3/47916 270.0 3.170 2.960 2.842 -0.000 0.275 0.000 3/47916 280.0 3.035 2.829 2.724 -0.000 0.260 0.000 3/47916 290.0 2.912 2.710 2.616 -0.000 0.246 0.000 3/47916 300.0 2.800 2.602 2.518 -0.000 0.233 0.000 3/47916 310.0 2.697 2.502 2.427 -0.000 0.221 0.000 3/47916 320.0 2.601 2.410 2.344 -0.000 0.210 0.000 3/47916 330.0 2.513 2.326 2.266 -0.000 0.201 0.000 3/47916 340.0 2.431 2.247 2.194 -0.000 0.192 0.000 3/47916 350.0 2.355 2.174 2.127 -0.000 0.183 0.000 3/47916 360.0 2.283 2.106 2.064 -0.000 0.175 0.000 3/47916 370.0 2.216 2.042 2.005 -0.000 0.168 0.000 3/47916 380.0 2.153 1.982 1.949 -0.000 0.162 0.000 3/47916 390.0 2.094 1.926 1.897 -0.000 0.155 0.000 3/47916 400.0 2.038 1.873 1.847 -0.000 0.150 0.000 3/47916 410.0 1.986 1.823 1.801 -0.000 0.144 0.000 3/47916 420.0 1.936 1.776 1.756 -0.000 0.139 0.000 3/47916 430.0 1.889 1.731 1.714 -0.000 0.134 0.000 3/47916 440.0 1.844 1.689 1.674 -0.000 0.130 0.000 3/47916 450.0 1.801 1.649 1.636 -0.000 0.126 0.000 3/47916 460.0 1.760 1.611 1.600 -0.000 0.122 0.000 3/47916 470.0 1.721 1.574 1.565 -0.000 0.118 0.000 3/47916 480.0 1.684 1.539 1.532 -0.000 0.115 0.000 3/47916 490.0 1.649 1.506 1.500 -0.000 0.111 0.000 3/47916 500.0 1.615 1.474 1.470 -0.000 0.108 0.000 3/47916 510.0 1.582 1.444 1.441 -0.000 0.105 0.000 3/47916 520.0 1.551 1.415 1.413 -0.000 0.102 0.000 3/47916 530.0 1.521 1.387 1.386 -0.000 0.100 0.000 3/47916 540.0 1.492 1.360 1.360 -0.000 0.097 0.000 3/47916 550.0 1.464 1.334 1.335 -0.000 0.095 0.000 3/47916 560.0 1.438 1.309 1.311 -0.000 0.092 0.000 3/47916 570.0 1.412 1.286 1.288 -0.000 0.090 0.000 3/47916 580.0 1.387 1.263 1.266 -0.000 0.088 0.000 3/47916 590.0 1.363 1.240 1.244 -0.000 0.086 0.000 3/47916 600.0 1.340 1.219 1.223 -0.000 0.084 0.000 3/47916 610.0 1.318 1.198 1.203 -0.000 0.082 0.000 3/47916 620.0 1.296 1.179 1.184 -0.000 0.081 0.000 3/47916 630.0 1.276 1.159 1.165 -0.000 0.079 0.000 3/47916 640.0 1.255 1.141 1.147 -0.000 0.077 0.000 3/47916 650.0 1.236 1.123 1.129 -0.000 0.076 0.000 3/47916 660.0 1.217 1.105 1.112 -0.000 0.074 0.000 3/47916 670.0 1.199 1.088 1.096 -0.000 0.073 0.000 3/47916 680.0 1.181 1.072 1.079 -0.000 0.072 0.000 3/47916 690.0 1.164 1.056 1.064 -0.000 0.070 0.000 3/47916 700.0 1.147 1.041 1.049 -0.000 0.069 0.000 3/47916 710.0 1.130 1.026 1.034 -0.000 0.068 0.000 3/47916 720.0 1.115 1.011 1.020 -0.000 0.067 0.000 3/47916 730.0 1.099 0.997 1.006 -0.000 0.065 0.000 3/47916 740.0 1.084 0.983 0.992 -0.000 0.064 0.000 3/47916 750.0 1.070 0.970 0.979 -0.000 0.063 0.000 3/47916 760.0 1.056 0.957 0.966 -0.000 0.062 0.000 3/47916 770.0 1.042 0.944 0.954 -0.000 0.061 0.000 3/47916 780.0 1.028 0.932 0.941 -0.000 0.060 0.000 3/47916 790.0 1.015 0.920 0.930 -0.000 0.059 0.000 3/47916 800.0 1.003 0.908 0.918 -0.000 0.058 0.000 3/47916 810.0 0.990 0.897 0.907 -0.000 0.058 0.000 3/47916 820.0 0.978 0.886 0.896 -0.000 0.057 0.000 3/47916 830.0 0.966 0.875 0.885 -0.000 0.056 0.000 3/47916 840.0 0.955 0.864 0.874 -0.000 0.055 0.000 3/47916 850.0 0.943 0.854 0.864 -0.000 0.054 0.000 3/47916 860.0 0.932 0.844 0.854 -0.000 0.054 0.000 3/47916 870.0 0.922 0.834 0.844 -0.000 0.053 0.000 3/47916 880.0 0.911 0.825 0.835 -0.000 0.052 0.000 3/47916 890.0 0.901 0.815 0.825 -0.000 0.051 0.000 3/47916 900.0 0.891 0.806 0.816 -0.000 0.051 0.000 3/47916 910.0 0.881 0.797 0.807 -0.000 0.050 0.000 3/47916 920.0 0.871 0.788 0.799 -0.000 0.049 0.000 3/47916 930.0 0.862 0.780 0.790 -0.000 0.049 0.000 3/47916 940.0 0.853 0.771 0.782 -0.000 0.048 0.000 3/47916 950.0 0.844 0.763 0.774 -0.000 0.048 0.000 3/47916 960.0 0.835 0.755 0.766 -0.000 0.047 0.000 3/47916 970.0 0.826 0.747 0.758 -0.000 0.047 0.000 3/47916 980.0 0.818 0.740 0.750 -0.000 0.046 0.000 3/47916 990.0 0.810 0.732 0.742 -0.000 0.045 0.000 3/47916 1000.0 0.802 0.725 0.735 -0.000 0.045 0.000 3/47916 Thermal conductivity related properties were written into "kappa-m11116.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:18:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|