----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.028100980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.056856469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.565120259999999 Atomic positions (fractional): *1 Na 0.00000000000000 0.84860916713270 0.50813849611203 22.990 *2 Na 0.24462941512619 0.67625926569256 0.00605404460628 22.990 3 Na 0.25537058487381 0.32374073430744 0.50605404460628 22.990 4 Na 0.50000000000000 0.15139083286729 0.00813849611203 22.990 5 Na 0.74462941512619 0.32374073430744 0.50605404460628 22.990 6 Na 0.75537058487381 0.67625926569256 0.00605404460628 22.990 *7 As 0.00000000000000 0.17813202987851 0.99739983170998 74.922 8 As 0.50000000000000 0.82186797012149 0.49739983170998 74.922 *9 O 0.00000000000000 0.91140111622577 0.09459051262601 15.999 *10 O 0.00000000000000 0.18374555296712 0.69238196722152 15.999 *11 O 0.30059735663657 0.68962927873877 0.59754556155896 15.999 12 O 0.19940264336343 0.31037072126123 0.09754556155896 15.999 13 O 0.50000000000000 0.81625444703287 0.19238196722152 15.999 14 O 0.50000000000000 0.08859888377423 0.59459051262601 15.999 15 O 0.80059735663657 0.31037072126123 0.09754556155896 15.999 16 O 0.69940264336343 0.68962927873877 0.59754556155896 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.028100980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.056856469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.565120259999999 Atomic positions (fractional): *1 Na 0.00000000000000 0.84860916713270 0.50813849611203 22.990 > 1 *2 Na 0.24462941512619 0.67625926569256 0.00605404460628 22.990 > 2 3 Na 0.25537058487381 0.32374073430744 0.50605404460628 22.990 > 3 4 Na 0.50000000000000 0.15139083286729 0.00813849611203 22.990 > 4 5 Na 0.74462941512619 0.32374073430744 0.50605404460628 22.990 > 5 6 Na 0.75537058487381 0.67625926569256 0.00605404460628 22.990 > 6 *7 As 0.00000000000000 0.17813202987851 0.99739983170998 74.922 > 7 8 As 0.50000000000000 0.82186797012149 0.49739983170998 74.922 > 8 *9 O 0.00000000000000 0.91140111622577 0.09459051262601 15.999 > 9 *10 O 0.00000000000000 0.18374555296712 0.69238196722152 15.999 > 10 *11 O 0.30059735663657 0.68962927873877 0.59754556155896 15.999 > 11 12 O 0.19940264336343 0.31037072126123 0.09754556155896 15.999 > 12 13 O 0.50000000000000 0.81625444703287 0.19238196722152 15.999 > 13 14 O 0.50000000000000 0.08859888377423 0.59459051262601 15.999 > 14 15 O 0.80059735663657 0.31037072126123 0.09754556155896 15.999 > 15 16 O 0.69940264336343 0.68962927873877 0.59754556155896 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.056201959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.113712939999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.130240519999997 Atomic positions (fractional): *1 Na 0.00000000000000 0.42430458356635 0.25406924805602 22.990 > 1 2 Na 0.50000000000000 0.42430458356635 0.25406924805602 22.990 > 1 3 Na 0.00000000000000 0.92430458356635 0.25406924805602 22.990 > 1 4 Na 0.50000000000000 0.92430458356635 0.25406924805602 22.990 > 1 5 Na 0.00000000000000 0.42430458356635 0.75406924805602 22.990 > 1 6 Na 0.50000000000000 0.42430458356635 0.75406924805602 22.990 > 1 7 Na 0.00000000000000 0.92430458356635 0.75406924805602 22.990 > 1 8 Na 0.50000000000000 0.92430458356635 0.75406924805602 22.990 > 1 *9 Na 0.12231470756309 0.33812963284628 0.00302702230314 22.990 > 2 10 Na 0.62231470756309 0.33812963284628 0.00302702230314 22.990 > 2 11 Na 0.12231470756309 0.83812963284628 0.00302702230314 22.990 > 2 12 Na 0.62231470756309 0.83812963284628 0.00302702230314 22.990 > 2 13 Na 0.12231470756309 0.33812963284628 0.50302702230314 22.990 > 2 14 Na 0.62231470756309 0.33812963284628 0.50302702230314 22.990 > 2 15 Na 0.12231470756309 0.83812963284628 0.50302702230314 22.990 > 2 16 Na 0.62231470756309 0.83812963284628 0.50302702230314 22.990 > 2 17 Na 0.12768529243691 0.16187036715372 0.25302702230314 22.990 > 3 18 Na 0.62768529243691 0.16187036715372 0.25302702230314 22.990 > 3 19 Na 0.12768529243691 0.66187036715372 0.25302702230314 22.990 > 3 20 Na 0.62768529243691 0.66187036715372 0.25302702230314 22.990 > 3 21 Na 0.12768529243691 0.16187036715372 0.75302702230314 22.990 > 3 22 Na 0.62768529243691 0.16187036715372 0.75302702230314 22.990 > 3 23 Na 0.12768529243691 0.66187036715372 0.75302702230314 22.990 > 3 24 Na 0.62768529243691 0.66187036715372 0.75302702230314 22.990 > 3 25 Na 0.25000000000000 0.07569541643365 0.00406924805602 22.990 > 4 26 Na 0.75000000000000 0.07569541643365 0.00406924805602 22.990 > 4 27 Na 0.25000000000000 0.57569541643365 0.00406924805602 22.990 > 4 28 Na 0.75000000000000 0.57569541643365 0.00406924805602 22.990 > 4 29 Na 0.25000000000000 0.07569541643365 0.50406924805602 22.990 > 4 30 Na 0.75000000000000 0.07569541643365 0.50406924805602 22.990 > 4 31 Na 0.25000000000000 0.57569541643365 0.50406924805602 22.990 > 4 32 Na 0.75000000000000 0.57569541643365 0.50406924805602 22.990 > 4 33 Na 0.37231470756309 0.16187036715372 0.25302702230314 22.990 > 5 34 Na 0.87231470756309 0.16187036715372 0.25302702230314 22.990 > 5 35 Na 0.37231470756309 0.66187036715372 0.25302702230314 22.990 > 5 36 Na 0.87231470756309 0.66187036715372 0.25302702230314 22.990 > 5 37 Na 0.37231470756309 0.16187036715372 0.75302702230314 22.990 > 5 38 Na 0.87231470756309 0.16187036715372 0.75302702230314 22.990 > 5 39 Na 0.37231470756309 0.66187036715372 0.75302702230314 22.990 > 5 40 Na 0.87231470756309 0.66187036715372 0.75302702230314 22.990 > 5 41 Na 0.37768529243691 0.33812963284628 0.00302702230314 22.990 > 6 42 Na 0.87768529243691 0.33812963284628 0.00302702230314 22.990 > 6 43 Na 0.37768529243691 0.83812963284628 0.00302702230314 22.990 > 6 44 Na 0.87768529243691 0.83812963284628 0.00302702230314 22.990 > 6 45 Na 0.37768529243691 0.33812963284628 0.50302702230314 22.990 > 6 46 Na 0.87768529243691 0.33812963284628 0.50302702230314 22.990 > 6 47 Na 0.37768529243691 0.83812963284628 0.50302702230314 22.990 > 6 48 Na 0.87768529243691 0.83812963284628 0.50302702230314 22.990 > 6 *49 As 0.00000000000000 0.08906601493925 0.49869991585499 74.922 > 7 50 As 0.50000000000000 0.08906601493925 0.49869991585499 74.922 > 7 51 As 0.00000000000000 0.58906601493925 0.49869991585499 74.922 > 7 52 As 0.50000000000000 0.58906601493925 0.49869991585499 74.922 > 7 53 As 0.00000000000000 0.08906601493925 0.99869991585499 74.922 > 7 54 As 0.50000000000000 0.08906601493925 0.99869991585499 74.922 > 7 55 As 0.00000000000000 0.58906601493925 0.99869991585499 74.922 > 7 56 As 0.50000000000000 0.58906601493925 0.99869991585499 74.922 > 7 57 As 0.25000000000000 0.41093398506075 0.24869991585499 74.922 > 8 58 As 0.75000000000000 0.41093398506075 0.24869991585499 74.922 > 8 59 As 0.25000000000000 0.91093398506075 0.24869991585499 74.922 > 8 60 As 0.75000000000000 0.91093398506075 0.24869991585499 74.922 > 8 61 As 0.25000000000000 0.41093398506075 0.74869991585499 74.922 > 8 62 As 0.75000000000000 0.41093398506075 0.74869991585499 74.922 > 8 63 As 0.25000000000000 0.91093398506075 0.74869991585499 74.922 > 8 64 As 0.75000000000000 0.91093398506075 0.74869991585499 74.922 > 8 *65 O 0.00000000000000 0.45570055811288 0.04729525631301 15.999 > 9 66 O 0.50000000000000 0.45570055811288 0.04729525631301 15.999 > 9 67 O 0.00000000000000 0.95570055811288 0.04729525631301 15.999 > 9 68 O 0.50000000000000 0.95570055811288 0.04729525631301 15.999 > 9 69 O 0.00000000000000 0.45570055811288 0.54729525631301 15.999 > 9 70 O 0.50000000000000 0.45570055811288 0.54729525631301 15.999 > 9 71 O 0.00000000000000 0.95570055811288 0.54729525631301 15.999 > 9 72 O 0.50000000000000 0.95570055811288 0.54729525631301 15.999 > 9 *73 O 0.00000000000000 0.09187277648356 0.34619098361076 15.999 > 10 74 O 0.50000000000000 0.09187277648356 0.34619098361076 15.999 > 10 75 O 0.00000000000000 0.59187277648356 0.34619098361076 15.999 > 10 76 O 0.50000000000000 0.59187277648356 0.34619098361076 15.999 > 10 77 O 0.00000000000000 0.09187277648356 0.84619098361076 15.999 > 10 78 O 0.50000000000000 0.09187277648356 0.84619098361076 15.999 > 10 79 O 0.00000000000000 0.59187277648356 0.84619098361076 15.999 > 10 80 O 0.50000000000000 0.59187277648356 0.84619098361076 15.999 > 10 *81 O 0.15029867831828 0.34481463936939 0.29877278077948 15.999 > 11 82 O 0.65029867831828 0.34481463936939 0.29877278077948 15.999 > 11 83 O 0.15029867831828 0.84481463936939 0.29877278077948 15.999 > 11 84 O 0.65029867831828 0.84481463936939 0.29877278077948 15.999 > 11 85 O 0.15029867831828 0.34481463936939 0.79877278077948 15.999 > 11 86 O 0.65029867831828 0.34481463936939 0.79877278077948 15.999 > 11 87 O 0.15029867831828 0.84481463936939 0.79877278077948 15.999 > 11 88 O 0.65029867831828 0.84481463936939 0.79877278077948 15.999 > 11 89 O 0.09970132168172 0.15518536063061 0.04877278077948 15.999 > 12 90 O 0.59970132168172 0.15518536063061 0.04877278077948 15.999 > 12 91 O 0.09970132168172 0.65518536063061 0.04877278077948 15.999 > 12 92 O 0.59970132168172 0.65518536063061 0.04877278077948 15.999 > 12 93 O 0.09970132168172 0.15518536063061 0.54877278077948 15.999 > 12 94 O 0.59970132168172 0.15518536063061 0.54877278077948 15.999 > 12 95 O 0.09970132168172 0.65518536063061 0.54877278077948 15.999 > 12 96 O 0.59970132168172 0.65518536063061 0.54877278077948 15.999 > 12 97 O 0.25000000000000 0.40812722351644 0.09619098361076 15.999 > 13 98 O 0.75000000000000 0.40812722351644 0.09619098361076 15.999 > 13 99 O 0.25000000000000 0.90812722351644 0.09619098361076 15.999 > 13 100 O 0.75000000000000 0.90812722351644 0.09619098361076 15.999 > 13 101 O 0.25000000000000 0.40812722351644 0.59619098361076 15.999 > 13 102 O 0.75000000000000 0.40812722351644 0.59619098361076 15.999 > 13 103 O 0.25000000000000 0.90812722351644 0.59619098361076 15.999 > 13 104 O 0.75000000000000 0.90812722351644 0.59619098361076 15.999 > 13 105 O 0.25000000000000 0.04429944188712 0.29729525631301 15.999 > 14 106 O 0.75000000000000 0.04429944188712 0.29729525631301 15.999 > 14 107 O 0.25000000000000 0.54429944188712 0.29729525631301 15.999 > 14 108 O 0.75000000000000 0.54429944188712 0.29729525631301 15.999 > 14 109 O 0.25000000000000 0.04429944188712 0.79729525631301 15.999 > 14 110 O 0.75000000000000 0.04429944188712 0.79729525631301 15.999 > 14 111 O 0.25000000000000 0.54429944188712 0.79729525631301 15.999 > 14 112 O 0.75000000000000 0.54429944188712 0.79729525631301 15.999 > 14 113 O 0.40029867831828 0.15518536063061 0.04877278077948 15.999 > 15 114 O 0.90029867831828 0.15518536063061 0.04877278077948 15.999 > 15 115 O 0.40029867831828 0.65518536063061 0.04877278077948 15.999 > 15 116 O 0.90029867831828 0.65518536063061 0.04877278077948 15.999 > 15 117 O 0.40029867831828 0.15518536063061 0.54877278077948 15.999 > 15 118 O 0.90029867831828 0.15518536063061 0.54877278077948 15.999 > 15 119 O 0.40029867831828 0.65518536063061 0.54877278077948 15.999 > 15 120 O 0.90029867831828 0.65518536063061 0.54877278077948 15.999 > 15 121 O 0.34970132168172 0.34481463936939 0.29877278077948 15.999 > 16 122 O 0.84970132168172 0.34481463936939 0.29877278077948 15.999 > 16 123 O 0.34970132168172 0.84481463936939 0.29877278077948 15.999 > 16 124 O 0.84970132168172 0.84481463936939 0.29877278077948 15.999 > 16 125 O 0.34970132168172 0.34481463936939 0.79877278077948 15.999 > 16 126 O 0.84970132168172 0.34481463936939 0.79877278077948 15.999 > 16 127 O 0.34970132168172 0.84481463936939 0.79877278077948 15.999 > 16 128 O 0.84970132168172 0.84481463936939 0.79877278077948 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4498425 0.0000000 0.0000000 0.0000000 2.4325194 0.0000000 0.0000000 0.0000000 2.4595728 -------------------------- Born effective charges -------------------------- 1 Na 1.1777343 0.0000000 0.0000000 0.0000000 0.9217263 -0.0151157 0.0000000 0.0869343 1.0751906 2 Na 0.9501903 0.0741355 -0.0521831 -0.0430489 1.0994188 -0.0073104 0.0709794 0.0424597 1.0358989 3 Na 0.9501903 0.0741355 0.0521831 -0.0430489 1.0994188 0.0073104 -0.0709794 -0.0424597 1.0358989 4 Na 1.1777343 0.0000000 0.0000000 0.0000000 0.9217263 0.0151157 0.0000000 -0.0869343 1.0751906 5 Na 0.9501903 -0.0741355 -0.0521831 0.0430489 1.0994188 0.0073104 0.0709794 -0.0424597 1.0358989 6 Na 0.9501903 -0.0741355 0.0521831 0.0430489 1.0994188 -0.0073104 -0.0709794 0.0424597 1.0358989 7 As 2.8861807 0.0000000 0.0000000 0.0000000 2.6575806 -0.0035441 0.0000000 -0.0160323 2.8456405 8 As 2.8861807 0.0000000 0.0000000 0.0000000 2.6575806 0.0035441 0.0000000 0.0160323 2.8456405 9 O -1.1846270 0.0000000 0.0000000 0.0000000 -1.9418654 0.2618173 0.0000000 0.2763663 -1.2912764 10 O -1.1695727 0.0000000 0.0000000 0.0000000 -1.0791659 -0.0017869 0.0000000 0.0067159 -2.1174436 11 O -1.8050479 -0.3876978 0.2569118 -0.3114509 -1.3785567 0.1285701 0.2750617 0.1296629 -1.2919544 12 O -1.8050479 -0.3876978 -0.2569118 -0.3114509 -1.3785567 -0.1285701 -0.2750617 -0.1296629 -1.2919544 13 O -1.1695727 0.0000000 0.0000000 0.0000000 -1.0791659 0.0017869 0.0000000 -0.0067159 -2.1174436 14 O -1.1846270 0.0000000 0.0000000 0.0000000 -1.9418654 -0.2618173 0.0000000 -0.2763663 -1.2912764 15 O -1.8050479 0.3876978 0.2569118 0.3114509 -1.3785567 -0.1285701 0.2750617 -0.1296629 -1.2919544 16 O -1.8050479 0.3876978 -0.2569118 0.3114509 -1.3785567 0.1285701 -0.2750617 0.1296629 -1.2919544 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2394), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.833 Solver_block: 200 / 480 - Time: 0.795 Solver_block: 300 / 480 - Time: 0.786 Solver_block: 400 / 480 - Time: 0.794 Solver_block: 480 / 480 - Time: 0.661 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.001 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2432 Number of blocks in projector: 2432 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 320 Use standard eigh solver. Tree of FC basis block matrices: - (2432, 2394), data: False |-- (320, 314), data: True |-- (320, 314), data: True |-- (320, 314), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:50:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:50:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.028100980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.056856469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.565120259999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.84860916713270 0.50813849611203 22.990 2 Na 0.24462941512619 0.67625926569256 0.00605404460628 22.990 3 Na 0.25537058487381 0.32374073430744 0.50605404460628 22.990 4 Na 0.50000000000000 0.15139083286729 0.00813849611203 22.990 5 Na 0.74462941512619 0.32374073430744 0.50605404460628 22.990 6 Na 0.75537058487381 0.67625926569256 0.00605404460628 22.990 7 As 0.00000000000000 0.17813202987851 0.99739983170998 74.922 8 As 0.50000000000000 0.82186797012149 0.49739983170998 74.922 9 O 0.00000000000000 0.91140111622577 0.09459051262601 15.999 10 O 0.00000000000000 0.18374555296712 0.69238196722152 15.999 11 O 0.30059735663657 0.68962927873877 0.59754556155896 15.999 12 O 0.19940264336343 0.31037072126123 0.09754556155896 15.999 13 O 0.50000000000000 0.81625444703287 0.19238196722152 15.999 14 O 0.50000000000000 0.08859888377423 0.59459051262601 15.999 15 O 0.80059735663657 0.31037072126123 0.09754556155896 15.999 16 O 0.69940264336343 0.68962927873877 0.59754556155896 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.056201959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.113712939999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.130240519999997 Atomic positions (fractional): 1 Na 0.00000000000000 0.42430458356635 0.25406924805602 22.990 > 1 2 Na 0.50000000000000 0.42430458356635 0.25406924805602 22.990 > 1 3 Na 0.00000000000000 0.92430458356635 0.25406924805602 22.990 > 1 4 Na 0.50000000000000 0.92430458356635 0.25406924805602 22.990 > 1 5 Na 0.00000000000000 0.42430458356635 0.75406924805602 22.990 > 1 6 Na 0.50000000000000 0.42430458356635 0.75406924805602 22.990 > 1 7 Na 0.00000000000000 0.92430458356635 0.75406924805602 22.990 > 1 8 Na 0.50000000000000 0.92430458356635 0.75406924805602 22.990 > 1 9 Na 0.12231470756309 0.33812963284628 0.00302702230314 22.990 > 9 10 Na 0.62231470756309 0.33812963284628 0.00302702230314 22.990 > 9 11 Na 0.12231470756309 0.83812963284628 0.00302702230314 22.990 > 9 12 Na 0.62231470756309 0.83812963284628 0.00302702230314 22.990 > 9 13 Na 0.12231470756309 0.33812963284628 0.50302702230314 22.990 > 9 14 Na 0.62231470756309 0.33812963284628 0.50302702230314 22.990 > 9 15 Na 0.12231470756309 0.83812963284628 0.50302702230314 22.990 > 9 16 Na 0.62231470756309 0.83812963284628 0.50302702230314 22.990 > 9 17 Na 0.12768529243691 0.16187036715372 0.25302702230314 22.990 > 17 18 Na 0.62768529243691 0.16187036715372 0.25302702230314 22.990 > 17 19 Na 0.12768529243691 0.66187036715372 0.25302702230314 22.990 > 17 20 Na 0.62768529243691 0.66187036715372 0.25302702230314 22.990 > 17 21 Na 0.12768529243691 0.16187036715372 0.75302702230314 22.990 > 17 22 Na 0.62768529243691 0.16187036715372 0.75302702230314 22.990 > 17 23 Na 0.12768529243691 0.66187036715372 0.75302702230314 22.990 > 17 24 Na 0.62768529243691 0.66187036715372 0.75302702230314 22.990 > 17 25 Na 0.25000000000000 0.07569541643365 0.00406924805602 22.990 > 25 26 Na 0.75000000000000 0.07569541643365 0.00406924805602 22.990 > 25 27 Na 0.25000000000000 0.57569541643365 0.00406924805602 22.990 > 25 28 Na 0.75000000000000 0.57569541643365 0.00406924805602 22.990 > 25 29 Na 0.25000000000000 0.07569541643365 0.50406924805602 22.990 > 25 30 Na 0.75000000000000 0.07569541643365 0.50406924805602 22.990 > 25 31 Na 0.25000000000000 0.57569541643365 0.50406924805602 22.990 > 25 32 Na 0.75000000000000 0.57569541643365 0.50406924805602 22.990 > 25 33 Na 0.37231470756309 0.16187036715372 0.25302702230314 22.990 > 33 34 Na 0.87231470756309 0.16187036715372 0.25302702230314 22.990 > 33 35 Na 0.37231470756309 0.66187036715372 0.25302702230314 22.990 > 33 36 Na 0.87231470756309 0.66187036715372 0.25302702230314 22.990 > 33 37 Na 0.37231470756309 0.16187036715372 0.75302702230314 22.990 > 33 38 Na 0.87231470756309 0.16187036715372 0.75302702230314 22.990 > 33 39 Na 0.37231470756309 0.66187036715372 0.75302702230314 22.990 > 33 40 Na 0.87231470756309 0.66187036715372 0.75302702230314 22.990 > 33 41 Na 0.37768529243691 0.33812963284628 0.00302702230314 22.990 > 41 42 Na 0.87768529243691 0.33812963284628 0.00302702230314 22.990 > 41 43 Na 0.37768529243691 0.83812963284628 0.00302702230314 22.990 > 41 44 Na 0.87768529243691 0.83812963284628 0.00302702230314 22.990 > 41 45 Na 0.37768529243691 0.33812963284628 0.50302702230314 22.990 > 41 46 Na 0.87768529243691 0.33812963284628 0.50302702230314 22.990 > 41 47 Na 0.37768529243691 0.83812963284628 0.50302702230314 22.990 > 41 48 Na 0.87768529243691 0.83812963284628 0.50302702230314 22.990 > 41 49 As 0.00000000000000 0.08906601493925 0.49869991585499 74.922 > 49 50 As 0.50000000000000 0.08906601493925 0.49869991585499 74.922 > 49 51 As 0.00000000000000 0.58906601493925 0.49869991585499 74.922 > 49 52 As 0.50000000000000 0.58906601493925 0.49869991585499 74.922 > 49 53 As 0.00000000000000 0.08906601493925 0.99869991585499 74.922 > 49 54 As 0.50000000000000 0.08906601493925 0.99869991585499 74.922 > 49 55 As 0.00000000000000 0.58906601493925 0.99869991585499 74.922 > 49 56 As 0.50000000000000 0.58906601493925 0.99869991585499 74.922 > 49 57 As 0.25000000000000 0.41093398506075 0.24869991585499 74.922 > 57 58 As 0.75000000000000 0.41093398506075 0.24869991585499 74.922 > 57 59 As 0.25000000000000 0.91093398506075 0.24869991585499 74.922 > 57 60 As 0.75000000000000 0.91093398506075 0.24869991585499 74.922 > 57 61 As 0.25000000000000 0.41093398506075 0.74869991585499 74.922 > 57 62 As 0.75000000000000 0.41093398506075 0.74869991585499 74.922 > 57 63 As 0.25000000000000 0.91093398506075 0.74869991585499 74.922 > 57 64 As 0.75000000000000 0.91093398506075 0.74869991585499 74.922 > 57 65 O 0.00000000000000 0.45570055811288 0.04729525631301 15.999 > 65 66 O 0.50000000000000 0.45570055811288 0.04729525631301 15.999 > 65 67 O 0.00000000000000 0.95570055811288 0.04729525631301 15.999 > 65 68 O 0.50000000000000 0.95570055811288 0.04729525631301 15.999 > 65 69 O 0.00000000000000 0.45570055811288 0.54729525631301 15.999 > 65 70 O 0.50000000000000 0.45570055811288 0.54729525631301 15.999 > 65 71 O 0.00000000000000 0.95570055811288 0.54729525631301 15.999 > 65 72 O 0.50000000000000 0.95570055811288 0.54729525631301 15.999 > 65 73 O 0.00000000000000 0.09187277648356 0.34619098361076 15.999 > 73 74 O 0.50000000000000 0.09187277648356 0.34619098361076 15.999 > 73 75 O 0.00000000000000 0.59187277648356 0.34619098361076 15.999 > 73 76 O 0.50000000000000 0.59187277648356 0.34619098361076 15.999 > 73 77 O 0.00000000000000 0.09187277648356 0.84619098361076 15.999 > 73 78 O 0.50000000000000 0.09187277648356 0.84619098361076 15.999 > 73 79 O 0.00000000000000 0.59187277648356 0.84619098361076 15.999 > 73 80 O 0.50000000000000 0.59187277648356 0.84619098361076 15.999 > 73 81 O 0.15029867831828 0.34481463936939 0.29877278077948 15.999 > 81 82 O 0.65029867831828 0.34481463936939 0.29877278077948 15.999 > 81 83 O 0.15029867831828 0.84481463936939 0.29877278077948 15.999 > 81 84 O 0.65029867831828 0.84481463936939 0.29877278077948 15.999 > 81 85 O 0.15029867831828 0.34481463936939 0.79877278077948 15.999 > 81 86 O 0.65029867831828 0.34481463936939 0.79877278077948 15.999 > 81 87 O 0.15029867831828 0.84481463936939 0.79877278077948 15.999 > 81 88 O 0.65029867831828 0.84481463936939 0.79877278077948 15.999 > 81 89 O 0.09970132168172 0.15518536063061 0.04877278077948 15.999 > 89 90 O 0.59970132168172 0.15518536063061 0.04877278077948 15.999 > 89 91 O 0.09970132168172 0.65518536063061 0.04877278077948 15.999 > 89 92 O 0.59970132168172 0.65518536063061 0.04877278077948 15.999 > 89 93 O 0.09970132168172 0.15518536063061 0.54877278077948 15.999 > 89 94 O 0.59970132168172 0.15518536063061 0.54877278077948 15.999 > 89 95 O 0.09970132168172 0.65518536063061 0.54877278077948 15.999 > 89 96 O 0.59970132168172 0.65518536063061 0.54877278077948 15.999 > 89 97 O 0.25000000000000 0.40812722351644 0.09619098361076 15.999 > 97 98 O 0.75000000000000 0.40812722351644 0.09619098361076 15.999 > 97 99 O 0.25000000000000 0.90812722351644 0.09619098361076 15.999 > 97 100 O 0.75000000000000 0.90812722351644 0.09619098361076 15.999 > 97 101 O 0.25000000000000 0.40812722351644 0.59619098361076 15.999 > 97 102 O 0.75000000000000 0.40812722351644 0.59619098361076 15.999 > 97 103 O 0.25000000000000 0.90812722351644 0.59619098361076 15.999 > 97 104 O 0.75000000000000 0.90812722351644 0.59619098361076 15.999 > 97 105 O 0.25000000000000 0.04429944188712 0.29729525631301 15.999 > 105 106 O 0.75000000000000 0.04429944188712 0.29729525631301 15.999 > 105 107 O 0.25000000000000 0.54429944188712 0.29729525631301 15.999 > 105 108 O 0.75000000000000 0.54429944188712 0.29729525631301 15.999 > 105 109 O 0.25000000000000 0.04429944188712 0.79729525631301 15.999 > 105 110 O 0.75000000000000 0.04429944188712 0.79729525631301 15.999 > 105 111 O 0.25000000000000 0.54429944188712 0.79729525631301 15.999 > 105 112 O 0.75000000000000 0.54429944188712 0.79729525631301 15.999 > 105 113 O 0.40029867831828 0.15518536063061 0.04877278077948 15.999 > 113 114 O 0.90029867831828 0.15518536063061 0.04877278077948 15.999 > 113 115 O 0.40029867831828 0.65518536063061 0.04877278077948 15.999 > 113 116 O 0.90029867831828 0.65518536063061 0.04877278077948 15.999 > 113 117 O 0.40029867831828 0.15518536063061 0.54877278077948 15.999 > 113 118 O 0.90029867831828 0.15518536063061 0.54877278077948 15.999 > 113 119 O 0.40029867831828 0.65518536063061 0.54877278077948 15.999 > 113 120 O 0.90029867831828 0.65518536063061 0.54877278077948 15.999 > 113 121 O 0.34970132168172 0.34481463936939 0.29877278077948 15.999 > 121 122 O 0.84970132168172 0.34481463936939 0.29877278077948 15.999 > 121 123 O 0.34970132168172 0.84481463936939 0.29877278077948 15.999 > 121 124 O 0.84970132168172 0.84481463936939 0.29877278077948 15.999 > 121 125 O 0.34970132168172 0.34481463936939 0.79877278077948 15.999 > 121 126 O 0.84970132168172 0.34481463936939 0.79877278077948 15.999 > 121 127 O 0.34970132168172 0.84481463936939 0.79877278077948 15.999 > 121 128 O 0.84970132168172 0.84481463936939 0.79877278077948 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4498425 0.0000000 0.0000000 0.0000000 2.4325194 0.0000000 0.0000000 0.0000000 2.4595728 -------------------------- Born effective charges -------------------------- 1 Na 1.1777343 0.0000000 0.0000000 0.0000000 0.9217263 -0.0151157 0.0000000 0.0869343 1.0751906 2 Na 0.9501903 0.0741355 -0.0521831 -0.0430489 1.0994188 -0.0073104 0.0709794 0.0424597 1.0358989 3 Na 0.9501903 0.0741355 0.0521831 -0.0430489 1.0994188 0.0073104 -0.0709794 -0.0424597 1.0358989 4 Na 1.1777343 0.0000000 0.0000000 0.0000000 0.9217263 0.0151157 0.0000000 -0.0869343 1.0751906 5 Na 0.9501903 -0.0741355 -0.0521831 0.0430489 1.0994188 0.0073104 0.0709794 -0.0424597 1.0358989 6 Na 0.9501903 -0.0741355 0.0521831 0.0430489 1.0994188 -0.0073104 -0.0709794 0.0424597 1.0358989 7 As 2.8861807 0.0000000 0.0000000 0.0000000 2.6575806 -0.0035441 0.0000000 -0.0160323 2.8456405 8 As 2.8861807 0.0000000 0.0000000 0.0000000 2.6575806 0.0035441 0.0000000 0.0160323 2.8456405 9 O -1.1846270 0.0000000 0.0000000 0.0000000 -1.9418654 0.2618173 0.0000000 0.2763663 -1.2912764 10 O -1.1695727 0.0000000 0.0000000 0.0000000 -1.0791659 -0.0017869 0.0000000 0.0067159 -2.1174436 11 O -1.8050479 -0.3876978 0.2569118 -0.3114509 -1.3785567 0.1285701 0.2750617 0.1296629 -1.2919544 12 O -1.8050479 -0.3876978 -0.2569118 -0.3114509 -1.3785567 -0.1285701 -0.2750617 -0.1296629 -1.2919544 13 O -1.1695727 0.0000000 0.0000000 0.0000000 -1.0791659 0.0017869 0.0000000 -0.0067159 -2.1174436 14 O -1.1846270 0.0000000 0.0000000 0.0000000 -1.9418654 -0.2618173 0.0000000 -0.2763663 -1.2912764 15 O -1.8050479 0.3876978 0.2569118 0.3114509 -1.3785567 -0.1285701 0.2750617 -0.1296629 -1.2919544 16 O -1.8050479 0.3876978 -0.2569118 0.3114509 -1.3785567 0.1285701 -0.2750617 0.1296629 -1.2919544 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000018 (yzy) 0.00000018 (yzy) 0.00000018 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:50:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:50:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.028100980000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.056856469999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.565120259999999 Atomic positions (fractional): 1 Na 0.00000000000000 0.84860916713270 0.50813849611203 22.990 2 Na 0.24462941512619 0.67625926569256 0.00605404460628 22.990 3 Na 0.25537058487381 0.32374073430744 0.50605404460628 22.990 4 Na 0.50000000000000 0.15139083286729 0.00813849611203 22.990 5 Na 0.74462941512619 0.32374073430744 0.50605404460628 22.990 6 Na 0.75537058487381 0.67625926569256 0.00605404460628 22.990 7 As 0.00000000000000 0.17813202987851 0.99739983170998 74.922 8 As 0.50000000000000 0.82186797012149 0.49739983170998 74.922 9 O 0.00000000000000 0.91140111622577 0.09459051262601 15.999 10 O 0.00000000000000 0.18374555296712 0.69238196722152 15.999 11 O 0.30059735663657 0.68962927873877 0.59754556155896 15.999 12 O 0.19940264336343 0.31037072126123 0.09754556155896 15.999 13 O 0.50000000000000 0.81625444703287 0.19238196722152 15.999 14 O 0.50000000000000 0.08859888377423 0.59459051262601 15.999 15 O 0.80059735663657 0.31037072126123 0.09754556155896 15.999 16 O 0.69940264336343 0.68962927873877 0.59754556155896 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.056201959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.113712939999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.130240519999997 Atomic positions (fractional): 1 Na 0.00000000000000 0.42430458356635 0.25406924805602 22.990 > 1 2 Na 0.50000000000000 0.42430458356635 0.25406924805602 22.990 > 1 3 Na 0.00000000000000 0.92430458356635 0.25406924805602 22.990 > 1 4 Na 0.50000000000000 0.92430458356635 0.25406924805602 22.990 > 1 5 Na 0.00000000000000 0.42430458356635 0.75406924805602 22.990 > 1 6 Na 0.50000000000000 0.42430458356635 0.75406924805602 22.990 > 1 7 Na 0.00000000000000 0.92430458356635 0.75406924805602 22.990 > 1 8 Na 0.50000000000000 0.92430458356635 0.75406924805602 22.990 > 1 9 Na 0.12231470756309 0.33812963284628 0.00302702230314 22.990 > 9 10 Na 0.62231470756309 0.33812963284628 0.00302702230314 22.990 > 9 11 Na 0.12231470756309 0.83812963284628 0.00302702230314 22.990 > 9 12 Na 0.62231470756309 0.83812963284628 0.00302702230314 22.990 > 9 13 Na 0.12231470756309 0.33812963284628 0.50302702230314 22.990 > 9 14 Na 0.62231470756309 0.33812963284628 0.50302702230314 22.990 > 9 15 Na 0.12231470756309 0.83812963284628 0.50302702230314 22.990 > 9 16 Na 0.62231470756309 0.83812963284628 0.50302702230314 22.990 > 9 17 Na 0.12768529243691 0.16187036715372 0.25302702230314 22.990 > 17 18 Na 0.62768529243691 0.16187036715372 0.25302702230314 22.990 > 17 19 Na 0.12768529243691 0.66187036715372 0.25302702230314 22.990 > 17 20 Na 0.62768529243691 0.66187036715372 0.25302702230314 22.990 > 17 21 Na 0.12768529243691 0.16187036715372 0.75302702230314 22.990 > 17 22 Na 0.62768529243691 0.16187036715372 0.75302702230314 22.990 > 17 23 Na 0.12768529243691 0.66187036715372 0.75302702230314 22.990 > 17 24 Na 0.62768529243691 0.66187036715372 0.75302702230314 22.990 > 17 25 Na 0.25000000000000 0.07569541643365 0.00406924805602 22.990 > 25 26 Na 0.75000000000000 0.07569541643365 0.00406924805602 22.990 > 25 27 Na 0.25000000000000 0.57569541643365 0.00406924805602 22.990 > 25 28 Na 0.75000000000000 0.57569541643365 0.00406924805602 22.990 > 25 29 Na 0.25000000000000 0.07569541643365 0.50406924805602 22.990 > 25 30 Na 0.75000000000000 0.07569541643365 0.50406924805602 22.990 > 25 31 Na 0.25000000000000 0.57569541643365 0.50406924805602 22.990 > 25 32 Na 0.75000000000000 0.57569541643365 0.50406924805602 22.990 > 25 33 Na 0.37231470756309 0.16187036715372 0.25302702230314 22.990 > 33 34 Na 0.87231470756309 0.16187036715372 0.25302702230314 22.990 > 33 35 Na 0.37231470756309 0.66187036715372 0.25302702230314 22.990 > 33 36 Na 0.87231470756309 0.66187036715372 0.25302702230314 22.990 > 33 37 Na 0.37231470756309 0.16187036715372 0.75302702230314 22.990 > 33 38 Na 0.87231470756309 0.16187036715372 0.75302702230314 22.990 > 33 39 Na 0.37231470756309 0.66187036715372 0.75302702230314 22.990 > 33 40 Na 0.87231470756309 0.66187036715372 0.75302702230314 22.990 > 33 41 Na 0.37768529243691 0.33812963284628 0.00302702230314 22.990 > 41 42 Na 0.87768529243691 0.33812963284628 0.00302702230314 22.990 > 41 43 Na 0.37768529243691 0.83812963284628 0.00302702230314 22.990 > 41 44 Na 0.87768529243691 0.83812963284628 0.00302702230314 22.990 > 41 45 Na 0.37768529243691 0.33812963284628 0.50302702230314 22.990 > 41 46 Na 0.87768529243691 0.33812963284628 0.50302702230314 22.990 > 41 47 Na 0.37768529243691 0.83812963284628 0.50302702230314 22.990 > 41 48 Na 0.87768529243691 0.83812963284628 0.50302702230314 22.990 > 41 49 As 0.00000000000000 0.08906601493925 0.49869991585499 74.922 > 49 50 As 0.50000000000000 0.08906601493925 0.49869991585499 74.922 > 49 51 As 0.00000000000000 0.58906601493925 0.49869991585499 74.922 > 49 52 As 0.50000000000000 0.58906601493925 0.49869991585499 74.922 > 49 53 As 0.00000000000000 0.08906601493925 0.99869991585499 74.922 > 49 54 As 0.50000000000000 0.08906601493925 0.99869991585499 74.922 > 49 55 As 0.00000000000000 0.58906601493925 0.99869991585499 74.922 > 49 56 As 0.50000000000000 0.58906601493925 0.99869991585499 74.922 > 49 57 As 0.25000000000000 0.41093398506075 0.24869991585499 74.922 > 57 58 As 0.75000000000000 0.41093398506075 0.24869991585499 74.922 > 57 59 As 0.25000000000000 0.91093398506075 0.24869991585499 74.922 > 57 60 As 0.75000000000000 0.91093398506075 0.24869991585499 74.922 > 57 61 As 0.25000000000000 0.41093398506075 0.74869991585499 74.922 > 57 62 As 0.75000000000000 0.41093398506075 0.74869991585499 74.922 > 57 63 As 0.25000000000000 0.91093398506075 0.74869991585499 74.922 > 57 64 As 0.75000000000000 0.91093398506075 0.74869991585499 74.922 > 57 65 O 0.00000000000000 0.45570055811288 0.04729525631301 15.999 > 65 66 O 0.50000000000000 0.45570055811288 0.04729525631301 15.999 > 65 67 O 0.00000000000000 0.95570055811288 0.04729525631301 15.999 > 65 68 O 0.50000000000000 0.95570055811288 0.04729525631301 15.999 > 65 69 O 0.00000000000000 0.45570055811288 0.54729525631301 15.999 > 65 70 O 0.50000000000000 0.45570055811288 0.54729525631301 15.999 > 65 71 O 0.00000000000000 0.95570055811288 0.54729525631301 15.999 > 65 72 O 0.50000000000000 0.95570055811288 0.54729525631301 15.999 > 65 73 O 0.00000000000000 0.09187277648356 0.34619098361076 15.999 > 73 74 O 0.50000000000000 0.09187277648356 0.34619098361076 15.999 > 73 75 O 0.00000000000000 0.59187277648356 0.34619098361076 15.999 > 73 76 O 0.50000000000000 0.59187277648356 0.34619098361076 15.999 > 73 77 O 0.00000000000000 0.09187277648356 0.84619098361076 15.999 > 73 78 O 0.50000000000000 0.09187277648356 0.84619098361076 15.999 > 73 79 O 0.00000000000000 0.59187277648356 0.84619098361076 15.999 > 73 80 O 0.50000000000000 0.59187277648356 0.84619098361076 15.999 > 73 81 O 0.15029867831828 0.34481463936939 0.29877278077948 15.999 > 81 82 O 0.65029867831828 0.34481463936939 0.29877278077948 15.999 > 81 83 O 0.15029867831828 0.84481463936939 0.29877278077948 15.999 > 81 84 O 0.65029867831828 0.84481463936939 0.29877278077948 15.999 > 81 85 O 0.15029867831828 0.34481463936939 0.79877278077948 15.999 > 81 86 O 0.65029867831828 0.34481463936939 0.79877278077948 15.999 > 81 87 O 0.15029867831828 0.84481463936939 0.79877278077948 15.999 > 81 88 O 0.65029867831828 0.84481463936939 0.79877278077948 15.999 > 81 89 O 0.09970132168172 0.15518536063061 0.04877278077948 15.999 > 89 90 O 0.59970132168172 0.15518536063061 0.04877278077948 15.999 > 89 91 O 0.09970132168172 0.65518536063061 0.04877278077948 15.999 > 89 92 O 0.59970132168172 0.65518536063061 0.04877278077948 15.999 > 89 93 O 0.09970132168172 0.15518536063061 0.54877278077948 15.999 > 89 94 O 0.59970132168172 0.15518536063061 0.54877278077948 15.999 > 89 95 O 0.09970132168172 0.65518536063061 0.54877278077948 15.999 > 89 96 O 0.59970132168172 0.65518536063061 0.54877278077948 15.999 > 89 97 O 0.25000000000000 0.40812722351644 0.09619098361076 15.999 > 97 98 O 0.75000000000000 0.40812722351644 0.09619098361076 15.999 > 97 99 O 0.25000000000000 0.90812722351644 0.09619098361076 15.999 > 97 100 O 0.75000000000000 0.90812722351644 0.09619098361076 15.999 > 97 101 O 0.25000000000000 0.40812722351644 0.59619098361076 15.999 > 97 102 O 0.75000000000000 0.40812722351644 0.59619098361076 15.999 > 97 103 O 0.25000000000000 0.90812722351644 0.59619098361076 15.999 > 97 104 O 0.75000000000000 0.90812722351644 0.59619098361076 15.999 > 97 105 O 0.25000000000000 0.04429944188712 0.29729525631301 15.999 > 105 106 O 0.75000000000000 0.04429944188712 0.29729525631301 15.999 > 105 107 O 0.25000000000000 0.54429944188712 0.29729525631301 15.999 > 105 108 O 0.75000000000000 0.54429944188712 0.29729525631301 15.999 > 105 109 O 0.25000000000000 0.04429944188712 0.79729525631301 15.999 > 105 110 O 0.75000000000000 0.04429944188712 0.79729525631301 15.999 > 105 111 O 0.25000000000000 0.54429944188712 0.79729525631301 15.999 > 105 112 O 0.75000000000000 0.54429944188712 0.79729525631301 15.999 > 105 113 O 0.40029867831828 0.15518536063061 0.04877278077948 15.999 > 113 114 O 0.90029867831828 0.15518536063061 0.04877278077948 15.999 > 113 115 O 0.40029867831828 0.65518536063061 0.04877278077948 15.999 > 113 116 O 0.90029867831828 0.65518536063061 0.04877278077948 15.999 > 113 117 O 0.40029867831828 0.15518536063061 0.54877278077948 15.999 > 113 118 O 0.90029867831828 0.15518536063061 0.54877278077948 15.999 > 113 119 O 0.40029867831828 0.65518536063061 0.54877278077948 15.999 > 113 120 O 0.90029867831828 0.65518536063061 0.54877278077948 15.999 > 113 121 O 0.34970132168172 0.34481463936939 0.29877278077948 15.999 > 121 122 O 0.84970132168172 0.34481463936939 0.29877278077948 15.999 > 121 123 O 0.34970132168172 0.84481463936939 0.29877278077948 15.999 > 121 124 O 0.84970132168172 0.84481463936939 0.29877278077948 15.999 > 121 125 O 0.34970132168172 0.34481463936939 0.79877278077948 15.999 > 121 126 O 0.84970132168172 0.34481463936939 0.79877278077948 15.999 > 121 127 O 0.34970132168172 0.84481463936939 0.79877278077948 15.999 > 121 128 O 0.84970132168172 0.84481463936939 0.79877278077948 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4498425 0.0000000 0.0000000 0.0000000 2.4325194 0.0000000 0.0000000 0.0000000 2.4595728 -------------------------- Born effective charges -------------------------- 1 Na 1.1777343 0.0000000 0.0000000 0.0000000 0.9217263 -0.0151157 0.0000000 0.0869343 1.0751906 2 Na 0.9501903 0.0741355 -0.0521831 -0.0430489 1.0994188 -0.0073104 0.0709794 0.0424597 1.0358989 3 Na 0.9501903 0.0741355 0.0521831 -0.0430489 1.0994188 0.0073104 -0.0709794 -0.0424597 1.0358989 4 Na 1.1777343 0.0000000 0.0000000 0.0000000 0.9217263 0.0151157 0.0000000 -0.0869343 1.0751906 5 Na 0.9501903 -0.0741355 -0.0521831 0.0430489 1.0994188 0.0073104 0.0709794 -0.0424597 1.0358989 6 Na 0.9501903 -0.0741355 0.0521831 0.0430489 1.0994188 -0.0073104 -0.0709794 0.0424597 1.0358989 7 As 2.8861807 0.0000000 0.0000000 0.0000000 2.6575806 -0.0035441 0.0000000 -0.0160323 2.8456405 8 As 2.8861807 0.0000000 0.0000000 0.0000000 2.6575806 0.0035441 0.0000000 0.0160323 2.8456405 9 O -1.1846270 0.0000000 0.0000000 0.0000000 -1.9418654 0.2618173 0.0000000 0.2763663 -1.2912764 10 O -1.1695727 0.0000000 0.0000000 0.0000000 -1.0791659 -0.0017869 0.0000000 0.0067159 -2.1174436 11 O -1.8050479 -0.3876978 0.2569118 -0.3114509 -1.3785567 0.1285701 0.2750617 0.1296629 -1.2919544 12 O -1.8050479 -0.3876978 -0.2569118 -0.3114509 -1.3785567 -0.1285701 -0.2750617 -0.1296629 -1.2919544 13 O -1.1695727 0.0000000 0.0000000 0.0000000 -1.0791659 0.0017869 0.0000000 -0.0067159 -2.1174436 14 O -1.1846270 0.0000000 0.0000000 0.0000000 -1.9418654 -0.2618173 0.0000000 -0.2763663 -1.2912764 15 O -1.8050479 0.3876978 0.2569118 0.3114509 -1.3785567 -0.1285701 0.2750617 -0.1296629 -1.2919544 16 O -1.8050479 0.3876978 -0.2569118 0.3114509 -1.3785567 0.1285701 -0.2750617 0.1296629 -1.2919544 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000018 (yzy) 0.00000018 (yzy) 0.00000018 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 8 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 287, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 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 2.483 ( 0.000 0.000 -0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 -0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 -0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 -0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.481 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 -0.000) 0.000 6.548 ( 0.000 0.000 -0.000) 0.000 6.817 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 -0.000) 0.000 7.225 ( 0.000 0.000 -0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.839 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 7.976 ( 0.000 0.000 -0.000) 0.000 8.024 ( 0.000 0.000 0.000) 0.000 8.190 ( 0.000 0.000 -0.000) 0.000 10.219 ( 0.000 0.000 -0.000) 0.000 10.552 ( 0.000 0.000 0.000) 0.000 10.917 ( 0.000 0.000 0.000) 0.000 11.197 ( 0.000 0.000 -0.000) 0.000 11.605 ( 0.000 0.000 -0.000) 0.000 11.904 ( 0.000 0.000 -0.000) 0.000 12.229 ( 0.000 0.000 -0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.550 ( 0.000 0.000 0.000) 0.000 13.272 ( 0.000 0.000 0.000) 0.000 22.259 ( 0.000 0.000 0.000) 0.000 22.508 ( 0.000 0.000 0.000) 0.000 22.747 ( 0.000 0.000 0.000) 0.000 22.876 ( 0.000 0.000 0.000) 0.000 22.994 ( 0.000 0.000 -0.000) 0.000 23.108 ( 0.000 0.000 0.000) 0.000 23.230 ( 0.000 0.000 0.000) 0.000 23.395 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 27.062 0.000 0.000) 27.062 0.587 ( 28.924 0.000 0.000) 28.924 1.000 ( 48.194 0.000 0.000) 48.194 2.710 ( 17.501 0.000 0.000) 17.501 2.831 ( 3.089 0.000 0.000) 3.089 2.889 ( 12.853 0.000 0.000) 12.853 3.396 ( -2.268 0.000 0.000) 2.268 3.518 ( -19.831 0.000 0.000) 19.831 4.393 ( 22.861 0.000 0.000) 22.861 4.471 ( -5.026 0.000 0.000) 5.026 4.786 ( -3.709 0.000 0.000) 3.709 5.146 ( -7.406 0.000 0.000) 7.406 5.414 ( 6.193 0.000 0.000) 6.193 5.562 ( 2.979 0.000 0.000) 2.979 5.668 ( -5.388 0.000 0.000) 5.388 6.106 ( -0.658 0.000 0.000) 0.658 6.174 ( -3.660 0.000 0.000) 3.660 6.371 ( 1.757 0.000 0.000) 1.757 6.552 ( 0.000 0.000 0.000) 0.000 6.745 ( -15.164 0.000 0.000) 15.164 6.791 ( -2.374 0.000 0.000) 2.374 6.940 ( -12.923 0.000 0.000) 12.923 7.126 ( 5.194 0.000 0.000) 5.194 7.140 ( 2.637 0.000 0.000) 2.637 7.646 ( 11.778 0.000 0.000) 11.778 7.819 ( -1.851 0.000 0.000) 1.851 7.975 ( -0.031 0.000 0.000) 0.031 8.005 ( -1.671 0.000 0.000) 1.671 8.133 ( -0.699 0.000 0.000) 0.699 8.195 ( 0.419 0.000 0.000) 0.419 10.233 ( 1.305 0.000 0.000) 1.305 10.527 ( -2.342 0.000 0.000) 2.342 10.932 ( 1.496 0.000 0.000) 1.496 11.232 ( -2.934 0.000 0.000) 2.934 11.652 ( 4.142 0.000 0.000) 4.142 11.927 ( 2.215 0.000 0.000) 2.215 12.232 ( -2.370 0.000 0.000) 2.370 12.520 ( -2.909 0.000 0.000) 2.909 13.291 ( 1.817 0.000 0.000) 1.817 13.460 ( -0.177 0.000 0.000) 0.177 22.500 ( -0.665 0.000 0.000) 0.665 22.735 ( -7.939 0.000 0.000) 7.939 22.763 ( 1.619 0.000 0.000) 1.619 23.082 ( -0.982 0.000 0.000) 0.982 23.177 ( 10.165 0.000 0.000) 10.165 23.235 ( 0.544 0.000 0.000) 0.544 23.388 ( -0.492 0.000 0.000) 0.492 24.010 ( -2.115 0.000 0.000) 2.115 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 29.787 0.000 0.000) 29.787 1.174 ( 28.680 0.000 0.000) 28.680 1.937 ( 43.114 0.000 0.000) 43.114 2.724 ( -15.999 0.000 0.000) 15.999 2.812 ( -12.247 0.000 0.000) 12.247 3.209 ( -2.764 0.000 0.000) 2.764 3.243 ( 16.471 0.000 0.000) 16.471 3.614 ( 20.129 0.000 0.000) 20.129 4.325 ( -8.326 0.000 0.000) 8.326 4.714 ( 1.529 0.000 0.000) 1.529 4.873 ( 21.161 0.000 0.000) 21.161 5.044 ( -1.723 0.000 0.000) 1.723 5.439 ( -6.798 0.000 0.000) 6.798 5.569 ( 8.403 0.000 0.000) 8.403 5.713 ( -5.970 0.000 0.000) 5.970 5.878 ( -7.826 0.000 0.000) 7.826 6.156 ( -7.713 0.000 0.000) 7.713 6.374 ( -2.678 0.000 0.000) 2.678 6.388 ( -14.852 0.000 0.000) 14.852 6.511 ( -4.843 0.000 0.000) 4.843 6.745 ( -1.255 0.000 0.000) 1.255 6.760 ( -3.927 0.000 0.000) 3.927 7.208 ( 3.721 0.000 0.000) 3.721 7.246 ( 5.533 0.000 0.000) 5.533 7.773 ( -2.351 0.000 0.000) 2.351 7.794 ( 1.863 0.000 0.000) 1.863 7.972 ( -1.043 0.000 0.000) 1.043 7.992 ( 2.016 0.000 0.000) 2.016 8.127 ( 0.488 0.000 0.000) 0.488 8.203 ( 0.288 0.000 0.000) 0.288 10.270 ( 2.259 0.000 0.000) 2.259 10.465 ( -3.556 0.000 0.000) 3.556 10.974 ( 2.543 0.000 0.000) 2.543 11.165 ( -3.432 0.000 0.000) 3.432 11.753 ( 5.510 0.000 0.000) 5.510 11.980 ( 2.175 0.000 0.000) 2.175 12.179 ( -1.939 0.000 0.000) 1.939 12.436 ( -5.177 0.000 0.000) 5.177 13.338 ( 2.602 0.000 0.000) 2.602 13.452 ( -0.697 0.000 0.000) 0.697 22.486 ( -0.633 0.000 0.000) 0.633 22.597 ( -5.457 0.000 0.000) 5.457 22.811 ( 3.053 0.000 0.000) 3.053 23.037 ( -3.022 0.000 0.000) 3.022 23.251 ( 1.017 0.000 0.000) 1.017 23.324 ( 0.812 0.000 0.000) 0.812 23.444 ( 8.975 0.000 0.000) 8.975 23.942 ( -4.575 0.000 0.000) 4.575 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 30.156 0.000 0.000) 30.156 1.747 ( 27.552 0.000 0.000) 27.552 2.287 ( -24.797 0.000 0.000) 24.797 2.303 ( -25.218 0.000 0.000) 25.218 2.785 ( 31.865 0.000 0.000) 31.865 3.287 ( -13.216 0.000 0.000) 13.216 3.379 ( 14.422 0.000 0.000) 14.422 3.708 ( -14.458 0.000 0.000) 14.458 4.463 ( 25.241 0.000 0.000) 25.241 4.965 ( -15.324 0.000 0.000) 15.324 4.978 ( 18.334 0.000 0.000) 18.334 5.114 ( 12.977 0.000 0.000) 12.977 5.249 ( -16.655 0.000 0.000) 16.655 5.600 ( -3.060 0.000 0.000) 3.060 5.676 ( -13.352 0.000 0.000) 13.352 5.714 ( 4.397 0.000 0.000) 4.397 5.973 ( 3.989 0.000 0.000) 3.989 6.196 ( -14.188 0.000 0.000) 14.188 6.324 ( 2.840 0.000 0.000) 2.840 6.406 ( -4.538 0.000 0.000) 4.538 6.734 ( 0.094 0.000 0.000) 0.094 6.738 ( -0.066 0.000 0.000) 0.066 7.283 ( 3.253 0.000 0.000) 3.253 7.315 ( 0.762 0.000 0.000) 0.762 7.744 ( -0.054 0.000 0.000) 0.054 7.772 ( -2.293 0.000 0.000) 2.293 7.976 ( 1.380 0.000 0.000) 1.380 8.008 ( -1.013 0.000 0.000) 1.013 8.163 ( 2.455 0.000 0.000) 2.455 8.199 ( -0.913 0.000 0.000) 0.913 10.323 ( 3.001 0.000 0.000) 3.001 10.391 ( -3.575 0.000 0.000) 3.575 11.032 ( 3.049 0.000 0.000) 3.049 11.096 ( -3.267 0.000 0.000) 3.267 11.867 ( 5.524 0.000 0.000) 5.524 11.966 ( -3.643 0.000 0.000) 3.643 12.204 ( 4.387 0.000 0.000) 4.387 12.318 ( -6.152 0.000 0.000) 6.152 13.390 ( 2.337 0.000 0.000) 2.337 13.430 ( -1.532 0.000 0.000) 1.532 22.483 ( 0.534 0.000 0.000) 0.534 22.514 ( -2.729 0.000 0.000) 2.729 22.883 ( 3.931 0.000 0.000) 3.931 22.965 ( -3.935 0.000 0.000) 3.935 23.276 ( 1.370 0.000 0.000) 1.370 23.305 ( -1.476 0.000 0.000) 1.476 23.647 ( 9.692 0.000 0.000) 9.692 23.822 ( -7.309 0.000 0.000) 7.309 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.000 22.981 0.000) 22.981 0.514 ( 0.000 24.853 0.000) 24.853 1.050 ( 0.000 48.922 0.000) 48.922 2.511 ( 0.000 1.180 0.000) 1.180 2.756 ( 0.000 3.205 0.000) 3.205 3.038 ( 0.000 19.724 0.000) 19.724 3.398 ( 0.000 -4.260 0.000) 4.260 3.726 ( 0.000 -9.344 0.000) 9.344 3.892 ( 0.000 -13.739 0.000) 13.739 4.453 ( 0.000 -9.113 0.000) 9.113 4.667 ( 0.000 -14.164 0.000) 14.164 5.103 ( 0.000 -8.463 0.000) 8.463 5.211 ( 0.000 -5.322 0.000) 5.322 5.590 ( 0.000 -2.542 0.000) 2.542 5.828 ( 0.000 3.300 0.000) 3.300 5.927 ( 0.000 -2.437 0.000) 2.437 6.191 ( 0.000 2.160 0.000) 2.160 6.299 ( 0.000 4.874 0.000) 4.874 6.549 ( 0.000 -0.407 0.000) 0.407 6.553 ( 0.000 5.285 0.000) 5.285 6.837 ( 0.000 5.524 0.000) 5.524 7.047 ( 0.000 -4.311 0.000) 4.311 7.164 ( 0.000 0.825 0.000) 0.825 7.431 ( 0.000 1.029 0.000) 1.029 7.615 ( 0.000 13.368 0.000) 13.368 7.858 ( 0.000 0.317 0.000) 0.317 7.896 ( 0.000 -7.000 0.000) 7.000 8.017 ( 0.000 -0.816 0.000) 0.816 8.198 ( 0.000 0.772 0.000) 0.772 8.335 ( 0.000 -5.143 0.000) 5.143 10.235 ( 0.000 1.478 0.000) 1.478 10.595 ( 0.000 -2.552 0.000) 2.552 10.920 ( 0.000 0.380 0.000) 0.380 11.181 ( 0.000 -1.472 0.000) 1.472 11.617 ( 0.000 1.123 0.000) 1.123 12.194 ( 0.000 -1.610 0.000) 1.610 12.252 ( 0.000 2.187 0.000) 2.187 12.592 ( 0.000 3.623 0.000) 3.623 13.203 ( 0.000 0.622 0.000) 0.622 13.249 ( 0.000 -2.126 0.000) 2.126 22.267 ( 0.000 0.772 0.000) 0.772 22.535 ( 0.000 2.491 0.000) 2.491 22.756 ( 0.000 0.859 0.000) 0.859 22.977 ( 0.000 -1.645 0.000) 1.645 22.978 ( 0.000 -0.522 0.000) 0.522 23.235 ( 0.000 0.467 0.000) 0.467 23.383 ( 0.000 -0.815 0.000) 0.815 24.551 ( 0.000 -0.889 0.000) 0.889 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.14 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 16.413 15.623 0.000) 22.660 0.777 ( 21.160 16.055 0.000) 26.561 1.432 ( 33.378 33.489 0.000) 47.282 2.719 ( 11.906 2.857 0.000) 12.244 2.861 ( 11.176 -0.671 0.000) 11.196 3.036 ( -0.685 12.971 0.000) 12.989 3.295 ( -13.775 -9.540 0.000) 16.757 3.492 ( 0.206 1.466 0.000) 1.481 4.242 ( 18.421 -13.614 0.000) 22.906 4.391 ( -3.509 -7.882 0.000) 8.628 4.696 ( 2.965 -8.943 0.000) 9.421 5.047 ( -4.176 -8.233 0.000) 9.232 5.298 ( 6.678 -4.610 0.000) 8.114 5.640 ( -9.411 2.040 0.000) 9.630 5.686 ( 2.494 -3.802 0.000) 4.547 6.094 ( 7.337 -0.666 0.000) 7.368 6.185 ( -4.030 -1.277 0.000) 4.228 6.253 ( -2.994 -5.125 0.000) 5.935 6.483 ( -2.915 -1.476 0.000) 3.268 6.572 ( -1.585 1.179 0.000) 1.976 6.837 ( -0.087 4.984 0.000) 4.985 7.018 ( -6.186 0.820 0.000) 6.240 7.128 ( -0.087 6.328 0.000) 6.328 7.331 ( -5.038 3.563 0.000) 6.171 7.743 ( 2.430 0.486 0.000) 2.478 7.762 ( -0.320 2.992 0.000) 3.009 7.986 ( 4.655 -4.792 0.000) 6.681 7.991 ( -2.225 -0.846 0.000) 2.380 8.178 ( -3.352 3.073 0.000) 4.547 8.243 ( -1.947 2.251 0.000) 2.976 10.224 ( 0.015 0.570 0.000) 0.570 10.530 ( -3.992 -0.973 0.000) 4.109 10.985 ( 3.206 2.738 0.000) 4.216 11.194 ( 0.259 -2.428 0.000) 2.441 11.659 ( 3.777 0.710 0.000) 3.844 12.014 ( -6.881 5.105 0.000) 8.567 12.224 ( -2.203 -0.432 0.000) 2.245 12.558 ( -3.341 3.186 0.000) 4.617 13.257 ( 2.031 -2.818 0.000) 3.474 13.370 ( 6.013 -4.375 0.000) 7.436 22.498 ( 8.075 -11.889 0.000) 14.372 22.520 ( -1.100 0.522 0.000) 1.218 22.767 ( 1.108 0.284 0.000) 1.144 22.949 ( 2.433 -1.988 0.000) 3.142 23.118 ( 9.243 -1.705 0.000) 9.399 23.241 ( 0.650 0.436 0.000) 0.783 23.377 ( -0.499 -0.901 0.000) 1.030 24.320 ( -14.490 10.733 0.000) 18.032 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.29 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 23.994 3.538 0.000) 24.253 1.267 ( 25.824 8.700 0.000) 27.250 2.193 ( 37.161 20.763 0.000) 42.568 2.692 ( -13.898 -4.547 0.000) 14.623 2.807 ( -22.010 -4.590 0.000) 22.483 3.014 ( 4.822 0.977 0.000) 4.920 3.322 ( 16.948 -1.368 0.000) 17.003 3.782 ( 16.064 11.282 0.000) 19.630 4.243 ( -1.371 -5.126 0.000) 5.306 4.563 ( 8.085 -11.939 0.000) 14.419 4.912 ( 18.754 -0.748 0.000) 18.769 4.982 ( -1.268 -5.025 0.000) 5.182 5.346 ( -4.118 -7.652 0.000) 8.690 5.534 ( 0.289 -3.445 0.000) 3.457 5.711 ( -1.096 -3.738 0.000) 3.895 5.910 ( -14.756 4.128 0.000) 15.322 6.104 ( -13.116 -3.104 0.000) 13.479 6.236 ( 2.689 -1.329 0.000) 2.999 6.469 ( -7.724 1.544 0.000) 7.877 6.481 ( 0.898 -7.002 0.000) 7.060 6.801 ( -2.333 8.104 0.000) 8.433 6.917 ( -4.274 9.212 0.000) 10.155 7.111 ( 0.765 -0.281 0.000) 0.814 7.298 ( 0.368 0.214 0.000) 0.426 7.682 ( -2.220 -6.459 0.000) 6.830 7.809 ( -1.354 -0.231 0.000) 1.373 7.954 ( -0.319 0.330 0.000) 0.459 8.051 ( 0.078 -5.173 0.000) 5.173 8.156 ( 2.952 8.771 0.000) 9.255 8.250 ( 1.011 2.855 0.000) 3.029 10.245 ( 1.949 -1.125 0.000) 2.251 10.449 ( -4.048 -1.431 0.000) 4.293 11.037 ( 2.314 4.685 0.000) 5.225 11.178 ( -1.597 1.178 0.000) 1.984 11.754 ( 5.237 0.108 0.000) 5.238 11.970 ( 0.558 -0.595 0.000) 0.816 12.176 ( -1.806 -0.319 0.000) 1.834 12.461 ( -5.968 2.024 0.000) 6.302 13.308 ( 2.853 -2.548 0.000) 3.825 13.426 ( 0.459 -2.096 0.000) 2.145 22.486 ( -1.488 -0.230 0.000) 1.506 22.530 ( -1.897 -5.418 0.000) 5.740 22.809 ( 2.911 -0.578 0.000) 2.967 22.981 ( -0.316 -2.980 0.000) 2.996 23.254 ( 1.171 0.203 0.000) 1.188 23.312 ( 3.300 -0.360 0.000) 3.320 23.409 ( 8.322 -2.034 0.000) 8.567 24.073 ( -10.397 8.503 0.000) 13.431 ======================= Grid point 10 (8/100) ======================= q-point: ( 0.43 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 27.438 -4.796 0.000) 27.854 1.799 ( 26.071 4.843 0.000) 26.517 2.202 ( -26.099 -8.897 0.000) 27.574 2.312 ( -24.094 2.142 0.000) 24.189 2.974 ( 29.772 15.916 0.000) 33.759 3.185 ( 8.448 -1.303 0.000) 8.548 3.461 ( -1.449 -0.378 0.000) 1.498 3.684 ( -19.375 0.573 0.000) 19.384 4.588 ( 27.523 9.766 0.000) 29.204 4.858 ( 18.722 -8.530 0.000) 20.574 5.010 ( 0.717 -2.816 0.000) 2.906 5.075 ( 0.550 -2.212 0.000) 2.279 5.229 ( -18.981 -3.394 0.000) 19.282 5.436 ( -15.215 -10.211 0.000) 18.324 5.593 ( 9.080 -1.560 0.000) 9.213 5.848 ( -9.788 2.763 0.000) 10.171 5.884 ( 8.811 -2.835 0.000) 9.256 6.142 ( -13.307 -3.632 0.000) 13.794 6.373 ( 1.695 2.951 0.000) 3.403 6.449 ( -3.977 -0.693 0.000) 4.037 6.792 ( 1.633 9.061 0.000) 9.207 6.843 ( -2.955 8.768 0.000) 9.253 7.181 ( 5.079 -6.550 0.000) 8.288 7.275 ( -3.250 -4.273 0.000) 5.368 7.675 ( 1.792 -5.325 0.000) 5.618 7.741 ( -4.079 -3.449 0.000) 5.342 7.977 ( 2.085 0.575 0.000) 2.163 8.023 ( -2.092 -1.257 0.000) 2.440 8.229 ( 2.888 6.114 0.000) 6.762 8.261 ( -0.324 4.325 0.000) 4.337 10.297 ( 3.084 -1.687 0.000) 3.515 10.368 ( -3.807 -1.692 0.000) 4.166 11.086 ( 2.496 4.440 0.000) 5.094 11.136 ( -2.399 3.573 0.000) 4.304 11.863 ( 5.234 -0.382 0.000) 5.248 11.954 ( -3.112 -1.080 0.000) 3.294 12.199 ( 4.542 -0.483 0.000) 4.567 12.326 ( -6.998 0.479 0.000) 7.014 13.366 ( 2.691 -2.068 0.000) 3.393 13.411 ( -1.650 -1.634 0.000) 2.322 22.469 ( 0.013 -1.344 0.000) 1.344 22.488 ( -1.736 -2.180 0.000) 2.787 22.877 ( 3.545 -0.949 0.000) 3.670 22.945 ( -2.888 -1.676 0.000) 3.339 23.278 ( 1.297 0.187 0.000) 1.311 23.306 ( -1.325 0.032 0.000) 1.326 23.643 ( 11.796 0.172 0.000) 11.797 23.868 ( -10.346 3.794 0.000) 11.020 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 18.569 0.000) 18.569 1.020 ( 0.000 24.023 0.000) 24.023 1.969 ( 0.000 38.487 0.000) 38.487 2.458 ( 0.000 -7.212 0.000) 7.212 2.878 ( 0.000 6.965 0.000) 6.965 3.078 ( 0.000 -13.864 0.000) 13.864 3.478 ( 0.000 -10.582 0.000) 10.582 3.595 ( 0.000 -10.316 0.000) 10.316 3.700 ( 0.000 23.266 0.000) 23.266 4.289 ( 0.000 -1.432 0.000) 1.432 4.315 ( 0.000 -18.282 0.000) 18.282 4.904 ( 0.000 -14.543 0.000) 14.543 5.133 ( 0.000 -1.095 0.000) 1.095 5.422 ( 0.000 -7.642 0.000) 7.642 5.877 ( 0.000 -1.152 0.000) 1.152 5.888 ( 0.000 1.985 0.000) 1.985 6.271 ( 0.000 2.694 0.000) 2.694 6.403 ( 0.000 4.318 0.000) 4.318 6.530 ( 0.000 -1.122 0.000) 1.122 6.655 ( 0.000 1.482 0.000) 1.482 6.829 ( 0.000 -10.919 0.000) 10.919 7.066 ( 0.000 14.564 0.000) 14.564 7.294 ( 0.000 7.754 0.000) 7.754 7.366 ( 0.000 -9.629 0.000) 9.629 7.721 ( 0.000 -7.923 0.000) 7.923 7.756 ( 0.000 -0.497 0.000) 0.497 7.970 ( 0.000 -3.275 0.000) 3.275 7.972 ( 0.000 10.020 0.000) 10.020 8.224 ( 0.000 1.851 0.000) 1.851 8.261 ( 0.000 -1.030 0.000) 1.030 10.274 ( 0.000 2.142 0.000) 2.142 10.534 ( 0.000 -3.128 0.000) 3.128 10.934 ( 0.000 1.020 0.000) 1.020 11.138 ( 0.000 -2.609 0.000) 2.609 11.645 ( 0.000 1.355 0.000) 1.355 12.156 ( 0.000 -1.888 0.000) 1.888 12.313 ( 0.000 3.501 0.000) 3.501 12.677 ( 0.000 4.145 0.000) 4.145 13.189 ( 0.000 -3.436 0.000) 3.436 13.221 ( 0.000 1.011 0.000) 1.011 22.289 ( 0.000 1.246 0.000) 1.246 22.603 ( 0.000 3.921 0.000) 3.921 22.777 ( 0.000 0.947 0.000) 0.947 22.932 ( 0.000 -2.479 0.000) 2.479 22.962 ( 0.000 -1.014 0.000) 1.014 23.248 ( 0.000 0.819 0.000) 0.819 23.362 ( 0.000 -1.192 0.000) 1.192 24.527 ( 0.000 -1.265 0.000) 1.265 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.14 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 9.783 17.166 0.000) 19.758 1.164 ( 13.136 20.205 0.000) 24.100 2.119 ( 17.247 28.102 0.000) 32.972 2.730 ( 18.972 -2.086 0.000) 19.086 2.824 ( -7.423 -4.635 0.000) 8.751 3.020 ( -5.292 -11.675 0.000) 12.818 3.257 ( -6.726 6.761 0.000) 9.537 3.727 ( 6.703 11.199 0.000) 13.052 3.945 ( 19.433 -7.499 0.000) 20.830 4.212 ( -4.645 -7.015 0.000) 8.413 4.460 ( 12.460 -10.428 0.000) 16.248 4.877 ( -1.780 -8.360 0.000) 8.548 5.214 ( 4.755 -5.497 0.000) 7.268 5.416 ( -2.946 -12.664 0.000) 13.002 5.718 ( -3.216 4.169 0.000) 5.265 6.092 ( 6.199 0.037 0.000) 6.199 6.141 ( -6.258 -3.171 0.000) 7.015 6.276 ( -9.910 3.506 0.000) 10.512 6.515 ( -2.356 2.140 0.000) 3.183 6.658 ( -2.830 5.155 0.000) 5.881 6.846 ( 1.398 -8.029 0.000) 8.149 7.092 ( -0.202 9.753 0.000) 9.755 7.262 ( -2.167 3.239 0.000) 3.897 7.329 ( -1.996 -1.787 0.000) 2.679 7.659 ( -4.241 -3.899 0.000) 5.761 7.786 ( -1.110 -7.344 0.000) 7.427 7.923 ( -0.516 -0.419 0.000) 0.665 8.008 ( 0.711 5.461 0.000) 5.507 8.226 ( 1.162 1.760 0.000) 2.109 8.273 ( 1.208 1.668 0.000) 2.059 10.257 ( -1.127 2.238 0.000) 2.506 10.492 ( -3.351 -2.262 0.000) 4.043 11.021 ( 6.502 1.134 0.000) 6.600 11.149 ( 1.391 -2.003 0.000) 2.439 11.677 ( 3.005 0.891 0.000) 3.134 12.083 ( -6.618 1.522 0.000) 6.791 12.235 ( -4.405 1.821 0.000) 4.767 12.630 ( -4.523 3.375 0.000) 5.644 13.198 ( 1.779 -2.778 0.000) 3.299 13.313 ( 5.409 -1.584 0.000) 5.636 22.349 ( 4.080 -3.334 0.000) 5.269 22.559 ( -3.413 2.172 0.000) 4.045 22.770 ( 0.135 -0.056 0.000) 0.147 22.942 ( 0.524 -0.120 0.000) 0.538 23.086 ( 10.771 -1.040 0.000) 10.821 23.254 ( 0.610 0.778 0.000) 0.989 23.355 ( -0.620 -1.177 0.000) 1.331 24.427 ( -8.897 1.794 0.000) 9.076 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.29 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 13.070 11.913 0.000) 17.684 1.508 ( 19.823 13.912 0.000) 24.218 2.460 ( -18.548 -6.336 0.000) 19.601 2.638 ( 24.743 11.853 0.000) 27.435 2.761 ( -12.095 -1.736 0.000) 12.219 3.188 ( 5.591 7.251 0.000) 9.156 3.287 ( 15.085 4.193 0.000) 15.657 3.866 ( 1.779 -3.161 0.000) 3.628 4.199 ( 5.085 -13.721 0.000) 14.633 4.366 ( 24.476 7.654 0.000) 25.645 4.793 ( 14.600 -9.385 0.000) 17.356 4.880 ( 6.003 -2.860 0.000) 6.649 5.218 ( -3.840 -6.627 0.000) 7.659 5.278 ( -9.452 -13.543 0.000) 16.515 5.737 ( 2.900 4.443 0.000) 5.305 5.959 ( -11.028 -4.277 0.000) 11.829 6.053 ( -7.664 2.041 0.000) 7.931 6.246 ( 2.187 1.827 0.000) 2.850 6.406 ( -7.221 0.656 0.000) 7.251 6.557 ( -5.846 4.557 0.000) 7.412 6.862 ( 1.136 -2.441 0.000) 2.692 7.056 ( -0.682 4.740 0.000) 4.789 7.225 ( -4.154 2.554 0.000) 4.876 7.272 ( -3.715 2.372 0.000) 4.408 7.565 ( -3.539 -3.400 0.000) 4.907 7.717 ( -4.337 -8.273 0.000) 9.340 7.952 ( 2.005 -3.079 0.000) 3.674 7.999 ( -0.837 3.158 0.000) 3.267 8.279 ( 3.240 2.804 0.000) 4.285 8.307 ( 1.883 2.814 0.000) 3.386 10.249 ( 0.579 1.336 0.000) 1.456 10.417 ( -3.869 -1.479 0.000) 4.142 11.123 ( 3.353 3.311 0.000) 4.712 11.205 ( 3.198 1.234 0.000) 3.428 11.756 ( 4.540 -0.001 0.000) 4.540 11.972 ( -3.050 0.971 0.000) 3.201 12.168 ( -2.157 -0.347 0.000) 2.185 12.501 ( -7.860 1.523 0.000) 8.006 13.251 ( 3.161 -2.635 0.000) 4.115 13.381 ( 1.213 -1.959 0.000) 2.304 22.402 ( 1.127 -5.090 0.000) 5.213 22.496 ( -2.629 0.047 0.000) 2.629 22.791 ( 1.905 -0.814 0.000) 2.072 22.940 ( -0.959 -1.847 0.000) 2.081 23.259 ( 1.478 0.299 0.000) 1.508 23.319 ( 1.841 0.604 0.000) 1.938 23.382 ( 11.152 -0.159 0.000) 11.154 24.209 ( -11.885 4.480 0.000) 12.701 ======================= Grid point 17 (12/100) ======================= q-point: ( 0.43 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 145 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 18.860 3.017 0.000) 19.100 1.937 ( 21.354 8.183 0.000) 22.869 2.029 ( -21.170 -4.468 0.000) 21.637 2.375 ( -20.529 3.405 0.000) 20.810 3.173 ( 16.269 2.290 0.000) 16.429 3.355 ( 4.402 -5.757 0.000) 7.247 3.411 ( 8.899 17.945 0.000) 20.030 3.776 ( -13.101 6.316 0.000) 14.544 4.465 ( 21.128 -20.798 0.000) 29.648 4.817 ( 4.829 -10.384 0.000) 11.452 4.908 ( -1.869 -6.904 0.000) 7.153 4.988 ( -10.032 -4.424 0.000) 10.964 5.046 ( 15.603 6.071 0.000) 16.743 5.388 ( 11.751 -0.930 0.000) 11.788 5.609 ( -15.934 2.418 0.000) 16.117 5.755 ( -5.359 -3.732 0.000) 6.530 5.987 ( 0.472 6.636 0.000) 6.653 6.110 ( -10.281 1.636 0.000) 10.410 6.380 ( 2.721 -0.870 0.000) 2.856 6.453 ( -4.280 0.977 0.000) 4.391 6.935 ( 5.813 -0.307 0.000) 5.821 7.079 ( -7.574 7.175 0.000) 10.432 7.088 ( 2.977 -0.363 0.000) 2.999 7.183 ( -5.157 0.249 0.000) 5.163 7.553 ( 2.000 -5.478 0.000) 5.832 7.624 ( -4.473 -7.340 0.000) 8.595 7.983 ( 0.896 -1.876 0.000) 2.079 7.991 ( -0.127 0.720 0.000) 0.731 8.330 ( 1.504 2.690 0.000) 3.082 8.337 ( 0.777 2.862 0.000) 2.965 10.280 ( 2.381 0.145 0.000) 2.385 10.341 ( -3.465 -0.756 0.000) 3.547 11.185 ( 2.862 4.751 0.000) 5.546 11.229 ( -0.981 4.956 0.000) 5.052 11.853 ( 4.708 -0.577 0.000) 4.743 11.931 ( -2.533 -0.806 0.000) 2.658 12.181 ( 4.359 -1.290 0.000) 4.546 12.327 ( -8.763 -0.566 0.000) 8.781 13.318 ( 3.181 -2.282 0.000) 3.915 13.372 ( -1.850 -1.949 0.000) 2.688 22.418 ( 0.996 -3.183 0.000) 3.335 22.449 ( -1.986 -1.636 0.000) 2.573 22.843 ( 2.984 -1.954 0.000) 3.567 22.902 ( -2.602 -2.429 0.000) 3.560 23.282 ( 1.108 0.134 0.000) 1.116 23.305 ( -1.167 -0.133 0.000) 1.174 23.671 ( 14.485 2.433 0.000) 14.688 23.953 ( -13.250 4.067 0.000) 13.860 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 10.456 0.000) 10.456 1.490 ( 0.000 20.632 0.000) 20.632 2.226 ( 0.000 -12.917 0.000) 12.917 2.553 ( 0.000 16.445 0.000) 16.445 2.733 ( 0.000 -17.459 0.000) 17.459 2.984 ( 0.000 4.046 0.000) 4.046 3.291 ( 0.000 -5.633 0.000) 5.633 3.608 ( 0.000 10.126 0.000) 10.126 3.907 ( 0.000 1.339 0.000) 1.339 3.948 ( 0.000 -16.105 0.000) 16.105 4.517 ( 0.000 -20.077 0.000) 20.077 4.624 ( 0.000 25.195 0.000) 25.195 5.197 ( 0.000 7.496 0.000) 7.496 5.351 ( 0.000 -0.718 0.000) 0.718 5.866 ( 0.000 -0.203 0.000) 0.203 5.896 ( 0.000 -0.972 0.000) 0.972 6.296 ( 0.000 0.279 0.000) 0.279 6.406 ( 0.000 -7.047 0.000) 7.047 6.481 ( 0.000 -9.100 0.000) 9.100 6.511 ( 0.000 -0.713 0.000) 0.713 6.810 ( 0.000 2.748 0.000) 2.748 7.035 ( 0.000 -17.126 0.000) 17.126 7.353 ( 0.000 11.902 0.000) 11.902 7.440 ( 0.000 5.509 0.000) 5.509 7.616 ( 0.000 -3.204 0.000) 3.204 7.708 ( 0.000 -3.341 0.000) 3.341 7.920 ( 0.000 -1.270 0.000) 1.270 8.134 ( 0.000 4.954 0.000) 4.954 8.271 ( 0.000 2.325 0.000) 2.325 8.274 ( 0.000 1.408 0.000) 1.408 10.318 ( 0.000 1.940 0.000) 1.940 10.475 ( 0.000 -2.425 0.000) 2.425 10.965 ( 0.000 1.939 0.000) 1.939 11.078 ( 0.000 -3.084 0.000) 3.084 11.668 ( 0.000 0.781 0.000) 0.781 12.123 ( 0.000 -1.125 0.000) 1.125 12.384 ( 0.000 2.935 0.000) 2.935 12.747 ( 0.000 2.435 0.000) 2.435 13.120 ( 0.000 -2.906 0.000) 2.906 13.241 ( 0.000 0.812 0.000) 0.812 22.314 ( 0.000 1.032 0.000) 1.032 22.686 ( 0.000 3.844 0.000) 3.844 22.787 ( 0.000 -0.204 0.000) 0.204 22.884 ( 0.000 -1.902 0.000) 1.902 22.939 ( 0.000 -1.044 0.000) 1.044 23.266 ( 0.000 0.832 0.000) 0.832 23.338 ( 0.000 -0.983 0.000) 0.983 24.504 ( 0.000 -0.901 0.000) 0.901 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.14 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 9.346 10.241 0.000) 13.864 1.574 ( 8.182 18.519 0.000) 20.246 2.348 ( 13.036 -4.919 0.000) 13.933 2.698 ( -1.395 -8.894 0.000) 9.002 2.788 ( -4.085 4.918 0.000) 6.393 2.800 ( 8.434 -3.029 0.000) 8.962 3.434 ( 8.508 6.640 0.000) 10.792 3.636 ( 1.597 -2.793 0.000) 3.217 3.992 ( 1.436 -4.265 0.000) 4.501 4.024 ( 12.798 -5.116 0.000) 13.783 4.434 ( 1.323 -7.595 0.000) 7.709 4.806 ( 10.727 11.188 0.000) 15.499 5.160 ( -3.006 4.764 0.000) 5.633 5.306 ( -4.440 -0.832 0.000) 4.517 5.805 ( -1.220 3.987 0.000) 4.170 6.017 ( -1.426 -7.871 0.000) 7.999 6.094 ( -2.147 -0.098 0.000) 2.149 6.300 ( -9.393 -3.256 0.000) 9.941 6.555 ( 0.014 1.599 0.000) 1.600 6.629 ( 8.365 -7.687 0.000) 11.361 6.764 ( -4.386 2.543 0.000) 5.069 7.003 ( -2.981 -15.652 0.000) 15.934 7.340 ( -1.554 8.209 0.000) 8.355 7.431 ( -0.759 6.112 0.000) 6.159 7.607 ( -0.861 -1.570 0.000) 1.791 7.666 ( -4.693 -3.571 0.000) 5.897 7.898 ( -0.927 -1.178 0.000) 1.499 8.133 ( -1.551 5.352 0.000) 5.572 8.248 ( 0.900 0.132 0.000) 0.909 8.312 ( 1.816 1.576 0.000) 2.404 10.304 ( -1.095 2.168 0.000) 2.429 10.447 ( -2.452 -2.002 0.000) 3.166 11.043 ( 6.894 1.155 0.000) 6.990 11.108 ( 3.028 -1.933 0.000) 3.593 11.692 ( 2.272 0.486 0.000) 2.323 12.093 ( -3.079 -0.083 0.000) 3.080 12.288 ( -7.422 2.599 0.000) 7.864 12.683 ( -6.050 1.611 0.000) 6.261 13.144 ( 2.337 -2.197 0.000) 3.207 13.296 ( 3.924 -0.223 0.000) 3.930 22.315 ( 0.182 -0.548 0.000) 0.577 22.600 ( -5.982 1.542 0.000) 6.178 22.764 ( 0.454 -0.431 0.000) 0.626 22.925 ( -1.000 -1.287 0.000) 1.630 23.085 ( 13.528 0.620 0.000) 13.542 23.271 ( 0.613 0.793 0.000) 1.003 23.333 ( -0.515 -0.884 0.000) 1.023 24.441 ( -6.039 0.074 0.000) 6.039 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.29 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 10.143 12.139 0.000) 15.819 1.806 ( 14.000 13.823 0.000) 19.674 2.432 ( -17.172 5.405 0.000) 18.002 2.615 ( -2.283 -8.518 0.000) 8.819 2.772 ( 18.043 -1.818 0.000) 18.134 3.181 ( 11.764 -4.325 0.000) 12.534 3.502 ( 6.706 6.903 0.000) 9.624 3.811 ( 11.637 -0.327 0.000) 11.642 3.914 ( -5.897 -7.429 0.000) 9.485 4.333 ( 12.138 -14.333 0.000) 18.783 4.638 ( 15.430 -3.882 0.000) 15.911 5.020 ( 7.460 4.113 0.000) 8.519 5.097 ( 0.658 11.822 0.000) 11.841 5.214 ( -2.522 2.324 0.000) 3.429 5.769 ( -1.382 -3.621 0.000) 3.876 5.869 ( -10.843 -2.728 0.000) 11.181 6.088 ( -0.176 2.132 0.000) 2.139 6.279 ( 5.425 -0.739 0.000) 5.476 6.466 ( -8.864 5.044 0.000) 10.199 6.621 ( -8.246 1.284 0.000) 8.346 6.751 ( 2.997 -6.848 0.000) 7.476 6.923 ( -4.329 -13.768 0.000) 14.432 7.285 ( -3.507 4.049 0.000) 5.357 7.405 ( -2.717 6.326 0.000) 6.884 7.539 ( -5.542 -2.607 0.000) 6.125 7.577 ( -2.457 -1.094 0.000) 2.690 7.908 ( 1.714 -1.458 0.000) 2.250 8.070 ( -3.593 3.195 0.000) 4.808 8.301 ( 3.163 -0.104 0.000) 3.165 8.348 ( 1.593 0.943 0.000) 1.852 10.286 ( -0.382 1.985 0.000) 2.021 10.389 ( -3.009 -1.313 0.000) 3.283 11.174 ( 5.128 1.733 0.000) 5.413 11.223 ( 7.537 0.416 0.000) 7.549 11.753 ( 3.555 -0.287 0.000) 3.567 12.007 ( -4.531 1.998 0.000) 4.952 12.162 ( -4.008 -0.217 0.000) 4.013 12.517 ( -9.910 0.023 0.000) 9.910 13.206 ( 3.531 -1.607 0.000) 3.879 13.352 ( 1.060 -0.890 0.000) 1.384 22.326 ( 0.998 -2.308 0.000) 2.514 22.494 ( -4.358 -0.195 0.000) 4.362 22.782 ( 1.120 -0.057 0.000) 1.121 22.895 ( -1.869 -2.215 0.000) 2.899 23.267 ( 1.279 0.416 0.000) 1.345 23.318 ( -0.756 -0.484 0.000) 0.898 23.407 ( 15.207 1.840 0.000) 15.318 24.269 ( -10.518 1.684 0.000) 10.652 ======================= Grid point 24 (16/100) ======================= q-point: ( 0.43 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 13.237 12.214 0.000) 18.011 2.087 ( -16.287 9.396 0.000) 18.803 2.118 ( 16.036 8.299 0.000) 18.056 2.427 ( -13.393 1.135 0.000) 13.441 3.140 ( 12.468 -5.855 0.000) 13.774 3.246 ( -0.470 -3.532 0.000) 3.563 3.695 ( 6.466 5.111 0.000) 8.242 3.810 ( -4.592 -7.769 0.000) 9.025 4.093 ( 16.757 -6.475 0.000) 17.964 4.382 ( -8.102 -18.987 0.000) 20.644 4.879 ( 6.838 1.151 0.000) 6.934 5.006 ( -5.347 4.609 0.000) 7.060 5.190 ( 12.564 -0.715 0.000) 12.584 5.453 ( 9.701 8.085 0.000) 12.628 5.562 ( -5.691 -2.834 0.000) 6.358 5.799 ( -3.621 6.111 0.000) 7.103 6.132 ( 2.202 6.828 0.000) 7.174 6.223 ( -9.803 8.497 0.000) 12.973 6.368 ( 1.988 -1.131 0.000) 2.287 6.449 ( -7.236 -1.190 0.000) 7.333 6.798 ( 2.401 -10.063 0.000) 10.345 6.854 ( -2.716 -15.065 0.000) 15.307 7.235 ( -0.132 3.631 0.000) 3.633 7.301 ( -5.812 3.530 0.000) 6.800 7.494 ( 0.289 -0.424 0.000) 0.513 7.523 ( -2.350 0.410 0.000) 2.385 7.954 ( 2.548 -0.932 0.000) 2.713 8.007 ( -2.696 0.711 0.000) 2.788 8.353 ( 1.751 0.026 0.000) 1.751 8.368 ( 0.228 0.371 0.000) 0.436 10.295 ( 1.183 0.959 0.000) 1.523 10.332 ( -2.415 -0.312 0.000) 2.435 11.274 ( 4.317 3.624 0.000) 5.636 11.319 ( 0.867 3.271 0.000) 3.384 11.838 ( 4.793 -0.844 0.000) 4.867 11.929 ( -3.763 0.537 0.000) 3.801 12.150 ( 3.638 -1.556 0.000) 3.956 12.303 ( -10.229 -1.414 0.000) 10.326 13.280 ( 3.514 -1.297 0.000) 3.746 13.339 ( -2.051 -1.082 0.000) 2.319 22.359 ( 2.304 -2.231 0.000) 3.207 22.417 ( -3.327 -1.344 0.000) 3.588 22.811 ( 1.756 -0.976 0.000) 2.009 22.852 ( -2.193 -2.115 0.000) 3.047 23.284 ( 0.791 0.115 0.000) 0.800 23.301 ( -0.857 -0.216 0.000) 0.884 23.726 ( 15.451 2.414 0.000) 15.639 24.023 ( -13.550 2.469 0.000) 13.773 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 -0.000 0.000) 0.000 6.503 ( 0.000 0.000 0.000) 0.000 6.840 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 -0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 0.000) 0.000 7.649 ( 0.000 0.000 0.000) 0.000 7.909 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.298 ( 0.000 0.000 0.000) 0.000 10.342 ( 0.000 0.000 0.000) 0.000 10.445 ( 0.000 0.000 0.000) 0.000 11.007 ( 0.000 -0.000 0.000) 0.000 11.023 ( 0.000 0.000 0.000) 0.000 11.676 ( 0.000 0.000 0.000) 0.000 12.112 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 0.000) 0.000 13.087 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 22.325 ( 0.000 0.000 0.000) 0.000 22.743 ( 0.000 -0.000 0.000) 0.000 22.770 ( 0.000 0.000 0.000) 0.000 22.863 ( 0.000 0.000 0.000) 0.000 22.927 ( 0.000 0.000 0.000) 0.000 23.277 ( 0.000 0.000 0.000) 0.000 23.326 ( 0.000 0.000 0.000) 0.000 24.494 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 30 (18/100) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 10.096 0.000 0.000) 10.096 1.817 ( 5.812 -0.000 0.000) 5.812 2.252 ( 15.752 0.000 0.000) 15.752 2.528 ( 3.895 0.000 0.000) 3.895 2.808 ( 10.395 0.000 0.000) 10.395 2.846 ( -13.645 -0.000 0.000) 13.645 3.472 ( 16.460 0.000 0.000) 16.460 3.679 ( -7.318 0.000 0.000) 7.318 3.832 ( 6.487 0.000 0.000) 6.487 4.160 ( -5.518 -0.000 0.000) 5.518 4.180 ( 18.915 0.000 0.000) 18.915 4.981 ( 3.431 0.000 0.000) 3.431 5.294 ( -1.484 0.000 0.000) 1.484 5.318 ( -1.765 -0.000 0.000) 1.765 5.873 ( -7.370 0.000 0.000) 7.370 5.912 ( 1.880 0.000 0.000) 1.880 6.102 ( 0.124 0.000 0.000) 0.124 6.167 ( -8.031 -0.000 0.000) 8.031 6.557 ( 2.282 0.000 0.000) 2.282 6.568 ( 9.999 0.000 0.000) 9.999 6.793 ( -4.621 0.000 0.000) 4.621 6.812 ( -4.213 -0.000 0.000) 4.213 7.431 ( -5.092 -0.000 0.000) 5.092 7.503 ( -0.400 0.000 0.000) 0.400 7.604 ( 0.930 -0.000 0.000) 0.930 7.615 ( -3.954 0.000 0.000) 3.954 7.885 ( -1.282 0.000 0.000) 1.282 8.220 ( -5.014 -0.000 0.000) 5.014 8.221 ( 3.261 0.000 0.000) 3.261 8.328 ( 1.329 0.000 0.000) 1.329 10.332 ( -0.868 0.000 0.000) 0.868 10.421 ( -2.200 -0.000 0.000) 2.200 11.068 ( 5.851 -0.000 0.000) 5.851 11.074 ( 4.702 0.000 0.000) 4.702 11.697 ( 1.970 0.000 0.000) 1.970 12.091 ( -2.000 0.000 0.000) 2.000 12.318 ( -8.167 0.000 0.000) 8.167 12.698 ( -6.870 0.000 0.000) 6.870 13.120 ( 2.857 0.000 0.000) 2.857 13.295 ( 3.321 0.000 0.000) 3.321 22.311 ( -1.013 0.000 0.000) 1.013 22.617 ( -7.512 -0.000 0.000) 7.512 22.759 ( 1.284 0.000 0.000) 1.284 22.908 ( -1.572 -0.000 0.000) 1.572 23.094 ( 14.401 0.000 0.000) 14.401 23.281 ( 0.611 0.000 0.000) 0.611 23.322 ( -0.395 0.000 0.000) 0.395 24.440 ( -5.229 0.000 0.000) 5.229 ======================= Grid point 32 (19/100) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 12.448 0.000 0.000) 12.448 1.986 ( 10.513 -0.000 0.000) 10.513 2.483 ( 2.947 0.000 0.000) 2.947 2.550 ( -15.048 0.000 0.000) 15.048 2.739 ( 16.964 -0.000 0.000) 16.964 3.060 ( 11.942 0.000 0.000) 11.942 3.557 ( -2.792 0.000 0.000) 2.792 3.828 ( 16.656 -0.000 0.000) 16.656 3.870 ( -4.790 -0.000 0.000) 4.790 4.131 ( 3.952 0.000 0.000) 3.952 4.600 ( 19.798 0.000 0.000) 19.798 5.023 ( 1.291 0.000 0.000) 1.291 5.281 ( -4.119 -0.000 0.000) 4.119 5.335 ( 7.681 0.000 0.000) 7.681 5.756 ( -14.976 0.000 0.000) 14.976 5.771 ( 2.598 -0.000 0.000) 2.598 6.177 ( 6.523 0.000 0.000) 6.523 6.197 ( 5.538 -0.000 0.000) 5.538 6.548 ( -3.844 0.000 0.000) 3.844 6.608 ( -8.812 -0.000 0.000) 8.812 6.705 ( -5.371 0.000 0.000) 5.371 6.706 ( -1.392 -0.000 0.000) 1.392 7.326 ( -4.755 0.000 0.000) 4.755 7.468 ( -7.281 0.000 0.000) 7.281 7.509 ( -1.327 0.000 0.000) 1.327 7.592 ( -1.788 0.000 0.000) 1.788 7.891 ( 1.813 0.000 0.000) 1.813 8.110 ( -5.320 0.000 0.000) 5.320 8.294 ( 3.460 0.000 0.000) 3.460 8.355 ( 1.221 0.000 0.000) 1.221 10.314 ( -0.720 0.000 0.000) 0.720 10.369 ( -2.581 -0.000 0.000) 2.581 11.194 ( 6.519 0.000 0.000) 6.519 11.225 ( 8.577 0.000 0.000) 8.577 11.749 ( 3.024 0.000 0.000) 3.024 12.032 ( -3.775 0.000 0.000) 3.775 12.160 ( -5.814 0.000 0.000) 5.814 12.514 ( -10.816 0.000 0.000) 10.816 13.189 ( 3.766 0.000 0.000) 3.766 13.343 ( 0.880 0.000 0.000) 0.880 22.303 ( 0.494 0.000 0.000) 0.494 22.491 ( -5.069 -0.000 0.000) 5.069 22.784 ( 1.055 0.000 0.000) 1.055 22.868 ( -2.196 -0.000 0.000) 2.196 23.272 ( 1.080 0.000 0.000) 1.080 23.312 ( -0.620 0.000 0.000) 0.620 23.430 ( 15.644 0.000 0.000) 15.644 24.286 ( -9.801 0.000 0.000) 9.801 ======================= Grid point 34 (20/100) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 13.338 0.000 0.000) 13.338 2.223 ( 11.971 0.000 0.000) 11.971 2.242 ( -14.706 0.000 0.000) 14.706 2.432 ( -7.438 0.000 0.000) 7.438 3.043 ( 11.432 0.000 0.000) 11.432 3.184 ( -1.181 0.000 0.000) 1.181 3.608 ( 6.947 0.000 0.000) 6.947 3.750 ( -6.026 -0.000 0.000) 6.026 4.093 ( 8.565 -0.000 0.000) 8.565 4.182 ( -0.661 0.000 0.000) 0.661 4.908 ( 11.107 0.000 0.000) 11.107 5.080 ( -1.223 -0.000 0.000) 1.223 5.170 ( 1.639 -0.000 0.000) 1.639 5.420 ( -16.361 0.000 0.000) 16.361 5.648 ( 20.455 0.000 0.000) 20.455 5.919 ( 3.179 0.000 0.000) 3.179 6.227 ( -1.842 0.000 0.000) 1.842 6.319 ( 6.454 -0.000 0.000) 6.454 6.384 ( -11.285 0.000 0.000) 11.285 6.420 ( -4.969 -0.000 0.000) 4.969 6.630 ( -1.970 0.000 0.000) 1.970 6.644 ( -3.528 0.000 0.000) 3.528 7.262 ( -0.861 0.000 0.000) 0.861 7.311 ( -5.806 0.000 0.000) 5.806 7.517 ( 1.192 0.000 0.000) 1.192 7.551 ( -2.017 0.000 0.000) 2.017 7.944 ( 3.122 0.000 0.000) 3.122 8.015 ( -3.983 0.000 0.000) 3.983 8.350 ( 1.903 0.000 0.000) 1.903 8.369 ( -0.026 0.000 0.000) 0.026 10.309 ( 0.238 0.000 0.000) 0.238 10.326 ( -1.508 -0.000 0.000) 1.508 11.316 ( 4.853 0.000 0.000) 4.853 11.352 ( 2.347 0.000 0.000) 2.347 11.827 ( 5.017 0.000 0.000) 5.017 11.939 ( -5.311 0.000 0.000) 5.311 12.130 ( 3.427 0.000 0.000) 3.427 12.285 ( -10.697 0.000 0.000) 10.697 13.266 ( 3.652 0.000 0.000) 3.652 13.328 ( -2.151 0.000 0.000) 2.151 22.335 ( 2.585 0.000 0.000) 2.585 22.402 ( -3.855 -0.000 0.000) 3.855 22.802 ( 0.930 0.000 0.000) 0.930 22.827 ( -1.621 -0.000 0.000) 1.621 23.286 ( 0.589 0.000 0.000) 0.589 23.298 ( -0.651 0.000 0.000) 0.651 23.753 ( 15.559 0.000 0.000) 15.559 24.049 ( -13.314 0.000 0.000) 13.314 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 0.000 0.000 24.115) 24.115 0.559 ( 0.000 0.000 27.600) 27.600 1.055 ( 0.000 0.000 51.642) 51.642 2.408 ( 0.000 0.000 -7.931) 7.931 2.740 ( 0.000 0.000 -5.851) 5.851 2.768 ( 0.000 0.000 3.561) 3.561 3.419 ( 0.000 0.000 -3.737) 3.737 3.822 ( 0.000 0.000 -2.046) 2.046 3.993 ( 0.000 0.000 -5.660) 5.660 4.062 ( 0.000 0.000 -35.350) 35.350 4.444 ( 0.000 0.000 -25.266) 25.266 5.382 ( 0.000 0.000 -12.394) 12.394 5.504 ( 0.000 0.000 12.696) 12.696 5.573 ( 0.000 0.000 14.868) 14.868 5.582 ( 0.000 0.000 -22.286) 22.286 5.799 ( 0.000 0.000 -9.708) 9.708 6.152 ( 0.000 0.000 -3.002) 3.002 6.519 ( 0.000 0.000 15.970) 15.970 6.534 ( 0.000 0.000 -10.820) 10.820 6.545 ( 0.000 0.000 -0.566) 0.566 6.857 ( 0.000 0.000 4.449) 4.449 7.065 ( 0.000 0.000 -0.564) 0.564 7.310 ( 0.000 0.000 17.378) 17.378 7.497 ( 0.000 0.000 3.653) 3.653 7.809 ( 0.000 0.000 -2.698) 2.698 7.818 ( 0.000 0.000 -0.049) 0.049 7.990 ( 0.000 0.000 12.663) 12.663 8.002 ( 0.000 0.000 -1.836) 1.836 8.167 ( 0.000 0.000 2.643) 2.643 8.232 ( 0.000 0.000 4.150) 4.150 10.230 ( 0.000 0.000 1.065) 1.065 10.538 ( 0.000 0.000 -1.291) 1.291 10.924 ( 0.000 0.000 0.713) 0.713 11.188 ( 0.000 0.000 -0.855) 0.855 11.920 ( 0.000 0.000 1.593) 1.593 12.258 ( 0.000 0.000 2.860) 2.860 12.298 ( 0.000 0.000 3.930) 3.930 12.379 ( 0.000 0.000 -1.975) 1.975 13.071 ( 0.000 0.000 -0.713) 0.713 13.242 ( 0.000 0.000 -2.965) 2.965 22.275 ( 0.000 0.000 1.602) 1.602 22.557 ( 0.000 0.000 0.818) 0.818 22.869 ( 0.000 0.000 -0.736) 0.736 22.966 ( 0.000 0.000 -2.844) 2.844 23.063 ( 0.000 0.000 0.107) 0.107 23.102 ( 0.000 0.000 -0.620) 0.620 23.447 ( 0.000 0.000 5.082) 5.082 24.535 ( 0.000 0.000 -2.310) 2.310 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 2.553 0.000 30.055) 30.163 0.721 ( 20.034 0.000 17.043) 26.303 1.436 ( 39.281 0.000 30.156) 49.521 2.608 ( 14.204 0.000 -10.221) 17.499 2.755 ( 2.157 0.000 -6.808) 7.142 2.898 ( 10.603 0.000 0.740) 10.629 3.377 ( 0.709 0.000 -1.491) 1.651 3.525 ( -18.710 0.000 -0.113) 18.711 4.007 ( -4.356 0.000 -34.627) 34.900 4.320 ( 21.285 0.000 -7.966) 22.727 4.529 ( 6.101 0.000 -19.439) 20.374 5.329 ( -5.351 0.000 -21.088) 21.756 5.370 ( -8.648 0.000 7.844) 11.676 5.581 ( -1.731 0.000 15.887) 15.981 5.656 ( 2.817 0.000 -5.129) 5.852 5.770 ( -6.244 0.000 -18.906) 19.910 6.023 ( 3.684 0.000 -9.654) 10.333 6.520 ( -0.356 0.000 5.760) 5.771 6.569 ( 1.167 0.000 7.861) 7.947 6.680 ( -2.285 0.000 -4.076) 4.673 6.840 ( -1.070 0.000 5.413) 5.517 7.114 ( 4.306 0.000 -1.360) 4.516 7.178 ( -6.712 0.000 14.835) 16.282 7.512 ( -18.523 0.000 20.327) 27.501 7.678 ( 9.997 0.000 1.677) 10.136 7.787 ( -2.060 0.000 -2.877) 3.539 7.948 ( -1.364 0.000 0.076) 1.366 7.989 ( -0.992 0.000 -1.255) 1.600 8.208 ( 1.759 0.000 6.973) 7.192 8.242 ( 0.879 0.000 4.579) 4.663 10.236 ( 0.968 0.000 0.712) 1.201 10.515 ( -2.144 0.000 -1.079) 2.400 10.944 ( 1.870 0.000 1.091) 2.165 11.229 ( 1.340 0.000 -0.740) 1.531 11.838 ( -11.758 0.000 12.256) 16.984 11.939 ( 1.761 0.000 1.158) 2.108 12.270 ( -2.581 0.000 3.676) 4.491 12.496 ( -0.986 0.000 -2.125) 2.343 13.263 ( 1.954 0.000 -2.794) 3.410 13.295 ( 8.932 0.000 -9.715) 13.197 22.444 ( 5.197 0.000 -5.071) 7.261 22.618 ( 6.634 0.000 -4.059) 7.777 22.727 ( -7.752 0.000 -0.807) 7.794 23.066 ( -0.202 0.000 -1.688) 1.700 23.119 ( 4.357 0.000 -2.694) 5.122 23.149 ( 8.166 0.000 -2.287) 8.481 23.447 ( 0.462 0.000 5.582) 5.601 24.295 ( -14.375 0.000 10.171) 17.610 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 25.789 0.000 -2.071) 25.872 1.214 ( 27.073 0.000 10.568) 29.062 2.261 ( 38.768 0.000 23.194) 45.177 2.570 ( -16.951 0.000 -12.919) 21.313 2.768 ( -5.922 0.000 -4.705) 7.563 3.184 ( -9.076 0.000 -2.275) 9.357 3.238 ( 18.107 0.000 -2.212) 18.242 3.619 ( 19.163 0.000 -0.915) 19.184 3.909 ( -4.209 0.000 -29.735) 30.031 4.645 ( 6.579 0.000 -7.738) 10.157 4.731 ( 14.061 0.000 -15.063) 20.606 5.218 ( -5.475 0.000 5.035) 7.438 5.218 ( -3.620 0.000 -18.082) 18.441 5.478 ( -10.038 0.000 -16.553) 19.359 5.566 ( 2.442 0.000 5.946) 6.428 5.827 ( 1.957 0.000 -3.668) 4.157 6.141 ( 5.499 0.000 -11.003) 12.300 6.431 ( -17.344 0.000 10.174) 20.108 6.439 ( -8.721 0.000 -0.028) 8.721 6.565 ( -1.958 0.000 9.359) 9.562 6.841 ( 1.096 0.000 8.846) 8.913 6.997 ( -10.097 0.000 16.868) 19.659 7.215 ( 5.052 0.000 -2.903) 5.827 7.310 ( -2.206 0.000 9.900) 10.142 7.735 ( -2.659 0.000 -3.156) 4.127 7.804 ( 0.641 0.000 -0.492) 0.808 7.946 ( 2.002 0.000 -3.099) 3.689 7.976 ( -0.052 0.000 -0.003) 0.052 8.244 ( 1.795 0.000 9.999) 10.159 8.263 ( 1.079 0.000 5.785) 5.884 10.269 ( 2.232 0.000 0.253) 2.246 10.458 ( -3.296 0.000 -0.584) 3.347 10.995 ( 3.052 0.000 1.963) 3.629 11.206 ( -2.947 0.000 2.979) 4.191 11.777 ( 2.610 0.000 2.997) 3.974 11.980 ( 1.623 0.000 0.154) 1.630 12.212 ( -2.314 0.000 3.090) 3.861 12.430 ( -4.738 0.000 -0.715) 4.792 13.313 ( 2.670 0.000 -2.546) 3.689 13.388 ( 1.692 0.000 -5.513) 5.767 22.476 ( 0.144 0.000 -0.934) 0.945 22.593 ( -5.275 0.000 -0.395) 5.290 22.748 ( 5.499 0.000 -4.612) 7.177 23.024 ( -3.167 0.000 -1.346) 3.441 23.199 ( 3.218 0.000 -2.922) 4.346 23.282 ( 2.822 0.000 -3.276) 4.324 23.510 ( 6.816 0.000 5.617) 8.832 24.062 ( -9.368 0.000 7.977) 12.304 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 28.277 0.000 -11.593) 30.561 1.779 ( 26.771 0.000 5.894) 27.412 2.123 ( -23.924 0.000 -11.707) 26.635 2.363 ( -25.260 0.000 4.637) 25.682 3.004 ( 28.632 0.000 16.752) 33.173 3.267 ( 13.029 0.000 -11.137) 17.140 3.352 ( -6.631 0.000 -1.246) 6.747 3.629 ( -16.642 0.000 -5.178) 17.429 4.198 ( 27.087 0.000 -17.566) 32.284 4.681 ( -16.817 0.000 -20.128) 26.229 4.861 ( 12.241 0.000 -11.618) 16.876 5.073 ( -10.603 0.000 -21.296) 23.790 5.233 ( 10.077 0.000 5.579) 11.518 5.495 ( -1.663 0.000 0.234) 1.679 5.693 ( 8.789 0.000 -1.521) 8.919 5.764 ( 0.343 0.000 -4.491) 4.504 6.038 ( -11.330 0.000 2.606) 11.626 6.171 ( -16.369 0.000 -1.394) 16.429 6.334 ( 7.564 0.000 6.522) 9.987 6.483 ( -6.062 0.000 7.619) 9.737 6.861 ( 0.611 0.000 10.382) 10.400 6.878 ( -1.999 0.000 12.093) 12.257 7.292 ( 2.015 0.000 -1.900) 2.769 7.303 ( 0.298 0.000 2.495) 2.512 7.707 ( 0.574 0.000 -2.660) 2.722 7.756 ( -3.494 0.000 -1.545) 3.820 7.985 ( 0.676 0.000 -0.224) 0.712 7.986 ( 0.970 0.000 -2.221) 2.423 8.274 ( 1.006 0.000 9.775) 9.827 8.280 ( 0.421 0.000 7.711) 7.722 10.323 ( 2.974 0.000 0.109) 2.976 10.388 ( -3.417 0.000 -0.128) 3.419 11.063 ( 3.525 0.000 2.887) 4.556 11.136 ( -3.611 0.000 3.518) 5.042 11.867 ( 5.262 0.000 0.446) 5.281 11.964 ( -3.524 0.000 0.018) 3.524 12.220 ( 3.436 0.000 1.545) 3.768 12.320 ( -5.654 0.000 0.132) 5.656 13.363 ( 2.147 0.000 -2.623) 3.390 13.394 ( -0.785 0.000 -3.375) 3.465 22.481 ( 0.690 0.000 -0.131) 0.702 22.513 ( -2.651 0.000 -0.102) 2.653 22.851 ( 4.854 0.000 -2.798) 5.603 22.946 ( -4.356 0.000 -1.809) 4.717 23.252 ( 2.102 0.000 -1.811) 2.775 23.286 ( -1.232 0.000 -1.694) 2.095 23.691 ( 9.680 0.000 3.971) 10.463 23.881 ( -8.941 0.000 4.834) 10.164 ======================= Grid point 70 (25/100) ======================= q-point: ( 0.00 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 0.000 15.077 20.571) 25.504 0.757 ( 0.000 4.193 33.513) 33.775 1.370 ( 0.000 39.569 25.145) 46.882 2.467 ( 0.000 4.532 -5.743) 7.316 2.769 ( 0.000 0.620 2.063) 2.155 2.953 ( 0.000 17.030 -7.830) 18.744 3.327 ( 0.000 -6.632 -6.042) 8.971 3.756 ( 0.000 -5.760 -0.729) 5.806 3.837 ( 0.000 -13.984 -5.787) 15.134 4.040 ( 0.000 -1.854 -28.446) 28.507 4.365 ( 0.000 -7.709 -22.235) 23.534 5.176 ( 0.000 -13.314 0.015) 13.314 5.380 ( 0.000 -6.830 2.977) 7.451 5.586 ( 0.000 -3.356 -6.348) 7.181 5.652 ( 0.000 3.113 -14.369) 14.702 5.730 ( 0.000 -8.261 -10.402) 13.284 6.189 ( 0.000 5.724 1.534) 5.926 6.325 ( 0.000 -6.581 3.830) 7.615 6.565 ( 0.000 -0.203 -0.145) 0.249 6.611 ( 0.000 3.770 6.900) 7.863 6.918 ( 0.000 8.415 7.782) 11.462 7.141 ( 0.000 -2.467 -1.373) 2.823 7.318 ( 0.000 2.127 12.554) 12.733 7.488 ( 0.000 -6.671 6.855) 9.565 7.666 ( 0.000 12.884 1.987) 13.036 7.944 ( 0.000 -3.325 2.929) 4.431 7.981 ( 0.000 -0.642 12.604) 12.621 8.008 ( 0.000 -0.840 -0.688) 1.086 8.205 ( 0.000 -0.371 -6.812) 6.822 8.237 ( 0.000 0.465 3.917) 3.944 10.245 ( 0.000 1.770 1.162) 2.117 10.581 ( 0.000 1.068 -1.288) 1.673 10.928 ( 0.000 0.452 0.787) 0.908 11.175 ( 0.000 -1.276 -0.643) 1.429 11.731 ( 0.000 -7.234 7.252) 10.243 12.222 ( 0.000 -2.382 2.592) 3.520 12.278 ( 0.000 1.908 2.557) 3.190 12.547 ( 0.000 6.844 -2.861) 7.417 13.137 ( 0.000 3.198 -3.760) 4.936 13.219 ( 0.000 -2.128 -2.963) 3.648 22.282 ( 0.000 0.719 1.545) 1.704 22.554 ( 0.000 0.862 1.323) 1.579 22.817 ( 0.000 -1.716 2.681) 3.183 22.949 ( 0.000 -1.548 -2.741) 3.148 22.993 ( 0.000 -1.067 1.197) 1.603 23.241 ( 0.000 4.436 -0.093) 4.437 23.435 ( 0.000 -0.998 5.093) 5.190 24.494 ( 0.000 -2.370 -3.999) 4.648 ======================= Grid point 71 (26/100) ======================= q-point: ( 0.14 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 7.332 12.187 19.556) 24.181 0.926 ( 13.616 13.768 17.550) 26.133 1.740 ( 31.313 26.629 22.318) 46.773 2.627 ( 7.815 4.210 -9.435) 12.955 2.871 ( 10.119 -1.236 0.945) 10.238 2.958 ( 0.442 10.997 -7.357) 13.238 3.257 ( -6.109 -7.162 -3.315) 9.980 3.536 ( -4.523 1.017 2.675) 5.352 3.922 ( -3.966 -7.344 -29.084) 30.258 4.200 ( 15.583 -9.752 -11.187) 21.519 4.469 ( 9.961 -5.961 -17.088) 20.658 5.187 ( -4.075 -12.867 -1.605) 13.592 5.304 ( 0.469 -3.644 -3.136) 4.831 5.538 ( -5.441 1.668 -5.136) 7.666 5.731 ( 4.661 -6.323 -0.235) 7.859 5.801 ( 1.073 3.397 -16.483) 16.863 6.033 ( -4.604 2.450 -6.360) 8.225 6.400 ( 1.212 -10.256 5.968) 11.928 6.498 ( -4.545 -3.738 0.789) 5.938 6.626 ( -1.026 0.525 5.203) 5.329 6.909 ( -0.888 7.405 7.585) 10.637 7.125 ( -5.871 1.745 4.209) 7.432 7.249 ( -1.425 1.225 6.181) 6.460 7.422 ( -4.770 -1.923 10.935) 12.085 7.763 ( 2.832 5.910 0.668) 6.587 7.830 ( -3.996 0.304 6.121) 7.316 7.976 ( -2.041 -0.540 -0.641) 2.206 8.069 ( 2.436 5.013 0.871) 5.641 8.144 ( -0.521 -3.323 3.866) 5.124 8.267 ( 1.315 0.853 3.489) 3.824 10.237 ( -0.144 0.987 1.359) 1.686 10.534 ( -3.509 0.424 -0.011) 3.534 10.969 ( 2.748 2.002 -0.497) 3.436 11.197 ( 1.468 -2.544 -0.200) 2.944 11.744 ( 1.239 -3.457 6.536) 7.497 12.041 ( -8.102 4.618 2.724) 9.716 12.258 ( -2.359 -0.630 3.257) 4.070 12.545 ( -2.183 3.981 -1.103) 4.672 13.216 ( 2.870 -2.870 -4.030) 5.720 13.297 ( 6.606 -0.663 -5.132) 8.392 22.414 ( 6.942 -3.242 -3.622) 8.475 22.557 ( 0.443 -1.697 1.514) 2.318 22.749 ( -3.085 1.064 -1.255) 3.496 22.987 ( 1.647 -2.260 1.974) 3.423 23.093 ( 8.202 -1.387 -2.279) 8.625 23.250 ( 1.037 3.783 -0.026) 3.922 23.433 ( 0.087 -1.191 5.375) 5.506 24.339 ( -11.760 2.406 0.709) 12.024 ======================= Grid point 72 (27/100) ======================= q-point: ( 0.29 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 21.524 9.377 -0.428) 23.482 1.312 ( 23.483 7.882 11.011) 27.108 2.421 ( 21.845 10.558 12.492) 27.289 2.552 ( -3.570 2.354 -4.781) 6.414 2.881 ( -14.478 4.117 1.263) 15.104 2.946 ( -0.295 -6.295 -4.753) 7.893 3.304 ( 14.033 -1.761 -4.045) 14.710 3.746 ( 9.998 4.843 -5.036) 12.197 3.867 ( 8.662 2.584 -24.029) 25.673 4.423 ( 8.056 -14.695 -14.343) 22.058 4.778 ( 13.970 -1.083 -12.508) 18.783 5.059 ( -3.150 -9.133 -3.169) 10.167 5.322 ( -1.036 2.210 -0.851) 2.584 5.509 ( 1.323 2.630 -5.100) 5.889 5.611 ( -9.066 5.048 -13.882) 17.332 5.808 ( -0.855 -5.577 6.095) 8.306 6.085 ( 4.447 -2.652 -12.734) 13.746 6.278 ( -11.467 -8.753 9.944) 17.521 6.421 ( -6.426 -3.635 -2.645) 7.842 6.545 ( -5.800 -3.376 5.523) 8.692 6.886 ( 0.592 4.348 7.105) 8.351 7.019 ( -3.448 2.859 7.312) 8.575 7.196 ( -4.004 0.914 2.604) 4.864 7.339 ( -3.244 0.953 9.013) 9.626 7.686 ( -3.257 -2.562 0.739) 4.209 7.843 ( -2.197 0.453 2.146) 3.105 7.957 ( 1.713 1.893 -0.096) 2.555 8.080 ( 0.286 4.882 -2.700) 5.586 8.211 ( 4.383 -0.304 9.897) 10.828 8.292 ( 1.109 1.502 4.485) 4.858 10.252 ( 1.582 -0.602 0.847) 1.893 10.458 ( -3.787 -0.410 0.708) 3.874 11.018 ( 1.987 2.109 -0.720) 2.986 11.214 ( 0.130 0.503 2.109) 2.172 11.784 ( 2.824 0.697 3.183) 4.311 11.978 ( 0.191 -0.080 0.916) 0.939 12.203 ( -2.202 -0.590 2.650) 3.496 12.463 ( -5.408 2.712 0.213) 6.053 13.272 ( 2.765 -3.081 -3.473) 5.404 13.384 ( 1.994 -0.767 -3.764) 4.328 22.464 ( -0.187 -1.601 -1.542) 2.231 22.546 ( -1.984 -3.126 1.163) 3.881 22.760 ( 3.385 0.800 -3.518) 4.947 22.997 ( -0.861 -1.533 0.888) 1.970 23.228 ( 3.411 1.735 -2.527) 4.586 23.294 ( 2.442 1.259 -1.108) 2.962 23.478 ( 6.092 -2.492 5.641) 8.668 24.105 ( -10.800 3.255 2.449) 11.542 ======================= Grid point 73 (28/100) ======================= q-point: ( 0.43 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 24.989 1.500 -7.299) 26.076 1.827 ( 24.744 3.823 5.780) 25.696 2.084 ( -21.867 -3.059 -7.857) 23.436 2.388 ( -25.766 0.791 5.986) 26.464 3.073 ( 11.306 0.861 -3.889) 11.987 3.170 ( 24.346 5.966 7.016) 26.030 3.371 ( -3.487 -4.373 -11.819) 13.076 3.653 ( -13.565 3.053 -1.408) 13.976 4.324 ( 23.799 8.728 -16.096) 30.028 4.631 ( 4.079 -9.892 -18.489) 21.362 4.764 ( -0.160 -1.992 -14.495) 14.632 5.061 ( -11.446 0.388 -10.583) 15.594 5.329 ( 4.816 4.969 -1.015) 6.994 5.481 ( 1.505 -0.543 1.549) 2.227 5.653 ( 5.872 -5.276 4.681) 9.178 5.792 ( 3.107 1.339 -5.123) 6.140 5.965 ( -10.368 -4.609 6.728) 13.191 6.118 ( -12.360 -5.553 -0.564) 13.562 6.294 ( 2.643 -1.658 -2.313) 3.884 6.429 ( -5.768 -3.472 2.400) 7.147 6.934 ( 2.202 4.305 5.808) 7.557 6.963 ( -1.624 5.422 8.072) 9.859 7.166 ( 1.588 -4.600 1.676) 5.147 7.257 ( -4.686 -4.586 1.710) 6.776 7.672 ( 1.266 -2.078 -0.762) 2.550 7.768 ( -3.583 -1.839 2.688) 4.842 8.003 ( 1.674 3.016 1.018) 3.597 8.083 ( -0.083 4.281 1.251) 4.460 8.280 ( 2.036 1.316 7.370) 7.759 8.307 ( 0.216 2.124 5.318) 5.731 10.294 ( 2.067 -1.624 0.023) 2.628 10.388 ( -2.791 -0.498 1.528) 3.220 11.048 ( 0.868 0.452 -1.113) 1.482 11.209 ( -0.325 4.712 4.318) 6.400 11.855 ( 3.556 -0.852 -0.170) 3.660 11.966 ( -2.024 0.198 1.379) 2.457 12.212 ( 3.269 -0.593 1.142) 3.513 12.342 ( -5.854 1.581 1.602) 6.272 13.320 ( 1.583 -3.027 -3.966) 5.234 13.398 ( -0.122 -0.506 -1.842) 1.914 22.457 ( -0.207 -1.813 -0.650) 1.937 22.507 ( -1.301 -1.052 1.234) 2.079 22.833 ( 2.916 -1.039 -3.208) 4.458 22.961 ( -2.000 0.309 0.757) 2.161 23.271 ( 1.499 1.719 -1.143) 2.551 23.302 ( -0.865 1.379 -0.451) 1.690 23.666 ( 10.492 -1.676 2.569) 10.931 23.894 ( -10.176 1.116 2.310) 10.494 ======================= Grid point 77 (29/100) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 19.438 10.722) 22.199 1.079 ( 0.000 15.800 13.855) 21.014 2.171 ( 0.000 33.168 14.952) 36.382 2.492 ( 0.000 -4.535 2.543) 5.199 2.843 ( 0.000 6.754 -3.306) 7.520 2.923 ( 0.000 -16.206 -11.666) 19.968 3.506 ( 0.000 10.068 -7.348) 12.464 3.527 ( 0.000 -11.669 -6.682) 13.446 3.631 ( 0.000 -0.766 -0.902) 1.184 4.101 ( 0.000 13.478 -11.255) 17.560 4.138 ( 0.000 -13.627 -15.795) 20.861 4.847 ( 0.000 -20.040 -5.570) 20.800 5.269 ( 0.000 -3.131 3.863) 4.972 5.412 ( 0.000 -7.460 -4.006) 8.468 5.656 ( 0.000 -0.729 -15.840) 15.857 5.696 ( 0.000 0.912 -14.783) 14.811 6.282 ( 0.000 1.190 -8.381) 8.465 6.293 ( 0.000 3.206 2.028) 3.793 6.533 ( 0.000 -1.989 -0.355) 2.021 6.688 ( 0.000 3.011 4.248) 5.207 6.882 ( 0.000 -17.765 3.317) 18.072 7.189 ( 0.000 15.494 10.708) 18.835 7.346 ( 0.000 -5.520 0.862) 5.587 7.494 ( 0.000 4.971 11.894) 12.891 7.794 ( 0.000 -9.013 6.203) 10.942 7.869 ( 0.000 2.924 6.562) 7.184 7.958 ( 0.000 -2.917 -1.110) 3.121 8.016 ( 0.000 6.538 7.039) 9.607 8.196 ( 0.000 0.949 -4.536) 4.634 8.252 ( 0.000 1.108 3.011) 3.208 10.297 ( 0.000 2.999 2.186) 3.711 10.562 ( 0.000 -2.148 2.243) 3.105 10.944 ( 0.000 1.094 0.941) 1.443 11.137 ( 0.000 -2.338 -0.139) 2.342 11.676 ( 0.000 0.270 3.198) 3.210 12.176 ( 0.000 -2.055 2.057) 2.908 12.332 ( 0.000 3.145 1.865) 3.656 12.668 ( 0.000 5.015 -0.849) 5.086 13.159 ( 0.000 -3.447 -2.963) 4.545 13.180 ( 0.000 1.337 -3.428) 3.679 22.303 ( 0.000 1.161 1.397) 1.817 22.600 ( 0.000 3.183 0.197) 3.190 22.803 ( 0.000 -0.332 1.702) 1.734 22.907 ( 0.000 -2.333 -2.483) 3.407 22.985 ( 0.000 0.047 1.845) 1.846 23.300 ( 0.000 1.900 4.029) 4.455 23.410 ( 0.000 -1.390 4.937) 5.129 24.453 ( 0.000 -1.711 -6.510) 6.731 ======================= Grid point 78 (30/100) ======================= q-point: ( 0.14 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 9.647 19.935 6.055) 22.960 1.226 ( 10.617 14.697 12.759) 22.170 2.307 ( 15.545 21.894 14.202) 30.376 2.710 ( -5.773 -1.289 -6.748) 8.974 2.771 ( 14.994 -7.018 0.202) 16.556 2.974 ( 2.684 -1.089 -6.325) 6.956 3.249 ( -11.901 0.777 -1.052) 11.973 3.616 ( 5.328 -1.865 -10.674) 12.075 3.845 ( 11.093 6.040 -7.616) 14.749 4.035 ( -0.759 -1.489 -13.383) 13.487 4.320 ( 15.488 -5.204 -11.168) 19.791 4.866 ( 0.076 -16.748 -4.394) 17.315 5.270 ( 1.055 -2.505 0.157) 2.722 5.461 ( 1.519 -9.744 0.251) 9.865 5.588 ( 1.405 0.083 -8.288) 8.406 5.844 ( 6.975 0.902 -20.226) 21.414 6.107 ( -11.740 2.850 -3.541) 12.589 6.263 ( -5.326 -3.777 0.369) 6.540 6.455 ( -5.570 -0.854 -3.637) 6.707 6.669 ( -2.942 2.289 3.558) 5.153 6.929 ( 2.431 -11.106 4.846) 12.359 7.194 ( -0.586 10.964 7.982) 13.574 7.258 ( -7.734 -1.837 -0.359) 7.958 7.472 ( -1.440 4.052 11.690) 12.456 7.745 ( -3.764 -3.676 6.753) 8.561 7.865 ( -3.398 -4.710 3.890) 6.990 7.949 ( 1.889 0.263 1.888) 2.683 8.061 ( 1.869 2.828 6.643) 7.458 8.197 ( 2.177 3.438 -1.800) 4.450 8.283 ( 1.976 1.035 2.237) 3.159 10.281 ( -1.166 2.926 2.302) 3.901 10.518 ( -3.579 -1.633 2.199) 4.507 11.008 ( 4.698 1.623 -0.868) 5.045 11.145 ( 1.391 -2.293 -0.383) 2.709 11.719 ( 3.899 0.392 3.926) 5.547 12.099 ( -6.761 1.169 1.659) 7.059 12.264 ( -4.220 1.426 2.786) 5.254 12.631 ( -3.819 3.885 0.109) 5.449 13.161 ( 1.664 -2.552 -3.615) 4.728 13.276 ( 5.621 -1.075 -3.277) 6.594 22.352 ( 3.521 -2.016 0.546) 4.094 22.568 ( -2.689 1.695 0.964) 3.322 22.764 ( -1.063 0.467 -0.625) 1.319 22.962 ( 1.059 -1.292 1.383) 2.169 23.073 ( 9.572 0.012 -1.308) 9.661 23.303 ( 0.401 1.789 3.944) 4.350 23.404 ( -0.402 -1.508 4.936) 5.177 24.365 ( -7.896 0.307 -5.453) 9.601 ======================= Grid point 79 (31/100) ======================= q-point: ( 0.29 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 12.986 16.342 4.273) 21.307 1.509 ( 18.386 11.322 7.043) 22.712 2.399 ( -17.363 -5.792 -4.439) 18.834 2.735 ( 8.050 1.527 4.100) 9.162 2.854 ( 2.542 6.951 8.563) 11.318 3.063 ( 1.325 2.437 -11.930) 12.249 3.280 ( 13.903 3.989 -1.363) 14.528 3.700 ( 4.051 -2.108 -12.759) 13.552 4.017 ( 6.862 -7.514 -11.405) 15.285 4.219 ( 17.801 7.441 -13.105) 23.324 4.711 ( 17.329 -2.824 -10.065) 20.238 4.842 ( 1.516 -10.870 -4.028) 11.691 5.283 ( 0.564 -6.212 7.883) 10.052 5.490 ( 0.915 -6.923 6.006) 9.211 5.663 ( 3.198 2.053 -5.841) 6.968 5.765 ( -11.977 4.444 -14.106) 19.031 6.044 ( 3.131 -2.543 -9.217) 10.061 6.113 ( -7.276 -5.661 -1.411) 9.326 6.335 ( -6.862 -2.707 -5.363) 9.120 6.558 ( -7.452 2.243 2.710) 8.240 6.934 ( -2.023 -2.105 5.029) 5.815 7.075 ( -6.111 -2.162 -0.410) 6.495 7.189 ( -1.429 4.799 0.008) 5.007 7.414 ( -5.149 4.220 11.904) 13.639 7.650 ( -4.144 -1.004 5.769) 7.173 7.778 ( -4.611 -5.845 3.978) 8.441 7.999 ( 2.673 0.800 3.878) 4.778 8.092 ( 1.625 0.143 6.965) 7.153 8.271 ( 3.681 3.142 1.263) 5.002 8.323 ( 1.954 1.600 2.153) 3.319 10.268 ( 0.079 1.929 1.831) 2.661 10.441 ( -3.755 -1.091 2.154) 4.464 11.072 ( 1.541 2.829 -3.486) 4.747 11.216 ( 4.775 -0.353 0.040) 4.788 11.807 ( 3.668 1.387 4.506) 5.973 11.985 ( -2.870 0.877 1.515) 3.362 12.193 ( -2.515 -0.442 2.352) 3.472 12.517 ( -7.030 2.104 1.574) 7.505 13.211 ( 2.883 -2.504 -3.805) 5.390 13.356 ( 2.076 -1.696 -2.475) 3.649 22.401 ( 1.187 -3.575 0.188) 3.772 22.515 ( -2.317 -0.287 1.803) 2.949 22.775 ( 1.774 0.657 -1.299) 2.295 22.963 ( -0.743 -2.094 1.868) 2.903 23.266 ( 5.357 2.102 -1.471) 5.939 23.327 ( 2.098 1.764 2.268) 3.558 23.426 ( 5.611 -2.280 4.271) 7.411 24.165 ( -11.147 2.294 -3.902) 12.031 ======================= Grid point 80 (32/100) ======================= q-point: ( 0.43 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 16.106 7.712 2.394) 18.016 1.925 ( 15.653 5.366 1.809) 16.646 2.037 ( -11.550 0.990 1.251) 11.660 2.410 ( -21.687 2.501 3.156) 22.058 3.077 ( 6.184 -0.140 -12.428) 13.882 3.232 ( 0.353 -6.584 -11.735) 13.460 3.453 ( 15.830 14.099 4.636) 21.699 3.751 ( -5.850 6.335 -3.186) 9.193 4.235 ( 15.275 -16.000 -12.938) 25.626 4.469 ( -2.348 -8.452 -13.504) 16.103 4.832 ( 12.001 9.923 -12.350) 19.875 5.071 ( 1.219 -0.565 -4.329) 4.533 5.321 ( 1.928 -7.728 9.610) 12.481 5.488 ( 3.386 -3.437 -0.502) 4.850 5.530 ( -3.973 3.651 2.520) 5.955 5.751 ( -1.943 -5.855 1.864) 6.444 5.932 ( -3.164 2.169 -6.060) 7.172 6.058 ( -7.852 1.781 -6.135) 10.122 6.252 ( 3.254 -3.245 -5.897) 7.476 6.397 ( -7.758 -0.300 0.458) 7.777 6.917 ( 1.709 -4.403 -4.894) 6.801 6.988 ( -3.631 -4.714 -7.813) 9.821 7.171 ( -0.199 4.375 8.980) 9.991 7.291 ( -4.750 6.842 10.679) 13.544 7.617 ( 0.504 -2.891 3.623) 4.662 7.688 ( -3.611 -5.050 4.950) 7.940 8.043 ( 1.300 0.778 6.124) 6.308 8.119 ( 0.812 -0.070 7.975) 8.017 8.321 ( 1.202 1.946 1.382) 2.672 8.356 ( 0.997 2.025 2.025) 3.032 10.283 ( 1.091 0.648 0.714) 1.457 10.375 ( -2.307 -0.471 2.816) 3.670 11.092 ( 0.530 3.449 -4.993) 6.091 11.290 ( 1.931 2.705 1.791) 3.775 11.847 ( 0.915 0.445 0.514) 1.140 11.971 ( -0.175 0.249 3.415) 3.429 12.197 ( 3.432 -0.871 1.552) 3.865 12.364 ( -7.138 0.266 3.606) 8.001 13.263 ( 1.734 -2.155 -4.540) 5.316 13.370 ( -0.163 -1.952 -1.001) 2.200 22.417 ( 0.642 -1.955 0.317) 2.082 22.474 ( -1.499 -1.765 2.134) 3.148 22.818 ( 1.862 -0.434 -1.535) 2.452 22.938 ( -1.324 -2.389 2.477) 3.687 23.308 ( 1.019 1.486 1.872) 2.598 23.332 ( -0.788 1.179 2.252) 2.662 23.651 ( 12.883 0.508 -1.428) 12.971 23.925 ( -12.239 1.874 -2.461) 12.624 ======================= Grid point 84 (33/100) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.000 9.395 10.773) 14.294 1.454 ( 0.000 21.308 0.712) 21.320 2.290 ( 0.000 -12.218 6.153) 13.680 2.449 ( 0.000 -14.556 -16.330) 21.876 2.738 ( 0.000 7.763 10.920) 13.398 2.975 ( 0.000 5.469 -1.266) 5.613 3.401 ( 0.000 -7.654 0.970) 7.715 3.509 ( 0.000 9.379 -10.122) 13.799 3.812 ( 0.000 10.109 -1.883) 10.283 3.839 ( 0.000 -14.010 -10.691) 17.623 4.390 ( 0.000 -22.177 -10.829) 24.680 4.599 ( 0.000 26.833 -2.896) 26.989 5.285 ( 0.000 5.197 3.691) 6.374 5.336 ( 0.000 -1.181 -2.167) 2.468 5.648 ( 0.000 -0.166 -18.049) 18.050 5.681 ( 0.000 -2.364 -16.738) 16.904 6.318 ( 0.000 0.694 -13.253) 13.271 6.328 ( 0.000 0.620 2.477) 2.553 6.490 ( 0.000 -17.335 -0.613) 17.346 6.500 ( 0.000 -1.094 -0.860) 1.392 6.735 ( 0.000 0.763 1.691) 1.855 7.086 ( 0.000 -16.278 5.470) 17.172 7.480 ( 0.000 11.546 11.191) 16.079 7.531 ( 0.000 -1.083 3.446) 3.612 7.734 ( 0.000 2.388 9.949) 10.231 7.852 ( 0.000 -2.373 11.727) 11.965 7.911 ( 0.000 -1.621 -0.304) 1.649 8.157 ( 0.000 4.850 2.830) 5.615 8.231 ( 0.000 1.836 -3.247) 3.730 8.282 ( 0.000 1.577 1.307) 2.048 10.361 ( 0.000 2.973 3.902) 4.906 10.511 ( 0.000 -2.532 3.470) 4.296 10.975 ( 0.000 1.936 1.013) 2.185 11.082 ( 0.000 -2.861 0.397) 2.889 11.697 ( 0.000 1.189 3.034) 3.258 12.140 ( 0.000 -1.300 1.703) 2.143 12.396 ( 0.000 2.716 1.235) 2.984 12.750 ( 0.000 2.818 0.219) 2.826 13.090 ( 0.000 -2.926 -2.978) 4.175 13.200 ( 0.000 0.669 -3.714) 3.774 22.326 ( 0.000 0.963 1.228) 1.561 22.672 ( 0.000 3.525 -0.718) 3.597 22.787 ( 0.000 -1.416 0.406) 1.473 22.862 ( 0.000 -1.790 -2.205) 2.840 22.991 ( 0.000 0.433 3.621) 3.647 23.331 ( 0.000 1.295 5.481) 5.632 23.381 ( 0.000 -1.308 4.882) 5.055 24.424 ( 0.000 -1.032 -7.495) 7.566 ======================= Grid point 85 (34/100) ======================= q-point: ( 0.14 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 9.755 10.673 10.320) 17.764 1.539 ( 8.277 18.786 0.603) 20.537 2.384 ( 4.461 -12.264 -5.457) 14.145 2.492 ( 6.317 -9.266 -2.381) 11.464 2.841 ( 8.486 4.388 4.445) 10.537 2.971 ( 0.716 1.119 6.338) 6.475 3.360 ( -9.839 6.517 -12.039) 16.859 3.496 ( 9.819 -1.517 -4.541) 10.924 3.862 ( 1.382 -6.274 -11.962) 13.578 4.030 ( 13.315 0.776 -1.215) 13.393 4.362 ( 4.870 -8.631 -6.730) 11.979 4.726 ( 7.848 15.273 -6.029) 18.199 5.229 ( -2.800 1.603 2.872) 4.320 5.354 ( 0.231 -1.116 2.089) 2.380 5.636 ( 3.365 3.252 -14.457) 15.195 5.814 ( 6.969 -4.274 -18.797) 20.498 6.090 ( -13.409 -3.207 1.528) 13.871 6.226 ( -9.212 -2.462 -7.520) 12.144 6.446 ( -4.431 -0.071 -8.185) 9.308 6.597 ( 1.827 -9.874 -6.475) 11.949 6.773 ( 3.254 0.454 7.258) 7.968 7.082 ( -1.121 -13.188 7.122) 15.030 7.423 ( -4.611 8.684 7.412) 12.313 7.513 ( -2.121 0.142 4.843) 5.289 7.734 ( -1.996 2.893 7.593) 8.367 7.771 ( -4.722 -2.655 8.523) 10.099 7.943 ( 2.144 -0.930 5.323) 5.813 8.147 ( -1.795 3.801 1.676) 4.525 8.241 ( 2.566 0.827 0.416) 2.728 8.313 ( 2.002 1.518 0.698) 2.608 10.345 ( -1.378 2.971 3.705) 4.945 10.479 ( -2.779 -1.999 3.080) 4.605 11.037 ( 5.234 1.245 -0.489) 5.402 11.102 ( 2.280 -1.811 -0.410) 2.940 11.737 ( 3.717 0.931 4.291) 5.753 12.105 ( -3.495 -0.179 1.233) 3.710 12.306 ( -6.952 2.157 1.879) 7.518 12.692 ( -5.493 1.834 0.828) 5.850 13.113 ( 2.354 -1.845 -3.075) 4.289 13.260 ( 4.210 -0.462 -3.417) 5.442 22.329 ( 0.345 -0.434 1.423) 1.527 22.604 ( -4.897 1.463 0.651) 5.152 22.770 ( 0.481 0.136 0.394) 0.636 22.924 ( 0.706 -1.946 -0.327) 2.096 23.092 ( 10.726 1.211 0.304) 10.798 23.333 ( 0.199 1.165 5.365) 5.493 23.375 ( -0.524 -1.221 4.687) 4.871 24.363 ( -5.772 -0.253 -7.258) 9.277 ======================= Grid point 86 (35/100) ======================= q-point: ( 0.29 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 9.383 13.169 10.305) 19.175 1.781 ( 14.833 14.447 -0.095) 20.706 2.318 ( -7.909 -3.346 -7.109) 11.148 2.693 ( -0.709 -1.459 4.973) 5.231 2.878 ( 9.482 -4.106 4.712) 11.356 3.107 ( -4.242 2.136 -8.888) 10.077 3.306 ( 14.164 -6.455 -11.636) 19.434 3.701 ( 5.575 1.969 -6.810) 9.019 3.866 ( 4.154 -1.614 -5.389) 6.994 4.255 ( 7.819 -9.638 -5.057) 13.402 4.655 ( 18.164 -0.268 -4.299) 18.668 4.874 ( 8.856 9.793 -7.472) 15.171 5.193 ( -0.543 3.927 6.249) 7.400 5.397 ( 3.956 -0.658 8.342) 9.255 5.722 ( 0.588 -1.254 -5.943) 6.103 5.787 ( -6.172 -0.872 -9.996) 11.780 5.998 ( -3.758 -2.248 -6.095) 7.505 6.033 ( 0.194 -2.602 -15.652) 15.868 6.324 ( -7.536 1.787 -11.327) 13.722 6.545 ( -5.881 -5.383 -6.974) 10.593 6.813 ( -0.290 -3.908 6.262) 7.387 7.000 ( -6.965 -6.106 7.355) 11.828 7.327 ( -4.138 5.943 4.095) 8.319 7.452 ( -3.557 -0.437 4.529) 5.775 7.626 ( -4.829 -1.460 5.394) 7.386 7.710 ( -3.951 1.059 8.067) 9.045 7.996 ( 2.989 -0.497 7.727) 8.299 8.118 ( -0.730 1.435 5.341) 5.579 8.305 ( 2.954 0.617 1.246) 3.265 8.352 ( 1.703 0.822 0.849) 2.073 10.318 ( -0.985 2.578 2.917) 4.016 10.417 ( -3.017 -1.292 2.673) 4.233 11.126 ( 3.184 2.317 -4.272) 5.810 11.201 ( 6.645 -1.032 -1.630) 6.919 11.831 ( 4.731 0.819 6.755) 8.287 12.014 ( -4.351 1.728 0.961) 4.779 12.184 ( -4.102 -0.352 2.192) 4.664 12.542 ( -8.818 0.359 2.466) 9.163 13.175 ( 3.398 -1.015 -3.090) 4.704 13.323 ( 1.573 -1.322 -2.764) 3.444 22.343 ( 1.186 -1.859 1.798) 2.845 22.514 ( -3.830 0.061 2.078) 4.358 22.789 ( 1.182 0.791 0.533) 1.519 22.911 ( -1.341 -2.592 1.418) 3.245 23.306 ( 3.801 1.558 1.873) 4.515 23.357 ( 0.055 0.365 4.157) 4.173 23.396 ( 10.256 -0.073 0.233) 10.259 24.199 ( -10.073 1.054 -6.626) 12.102 ======================= Grid point 87 (36/100) ======================= q-point: ( 0.43 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 10.253 12.713 7.248) 17.868 2.053 ( -0.221 8.027 -0.964) 8.087 2.176 ( 6.490 9.756 4.653) 12.607 2.486 ( -15.238 4.431 4.494) 16.494 3.010 ( 1.107 -5.652 -17.697) 18.610 3.125 ( 3.405 -4.213 -9.197) 10.674 3.533 ( 6.172 -8.492 -9.576) 14.209 3.786 ( 3.918 -9.141 0.298) 9.950 4.039 ( 9.744 3.706 -4.980) 11.553 4.276 ( -5.390 -6.168 -4.006) 9.118 4.940 ( 11.054 0.958 -4.708) 12.053 5.064 ( 2.445 -3.966 7.547) 8.869 5.273 ( 8.500 7.895 -3.672) 12.168 5.446 ( -2.274 -1.048 1.637) 2.992 5.578 ( -2.025 -1.254 3.037) 3.860 5.734 ( -5.414 6.629 -10.347) 13.428 6.009 ( 5.583 3.912 -12.130) 13.914 6.131 ( 2.919 1.089 -10.960) 11.394 6.172 ( -2.316 -0.941 -6.229) 6.711 6.373 ( -10.769 -3.224 -4.072) 11.956 6.755 ( -3.737 -7.946 -0.697) 8.809 6.881 ( -2.930 -6.878 1.142) 7.563 7.272 ( -1.156 4.301 5.509) 7.084 7.383 ( -2.405 0.575 5.801) 6.307 7.576 ( -0.339 -0.467 5.027) 5.060 7.626 ( -3.285 0.163 6.364) 7.164 8.050 ( 1.839 0.134 8.641) 8.836 8.108 ( -0.404 -0.705 8.886) 8.923 8.348 ( 1.164 0.799 0.520) 1.505 8.377 ( 0.658 0.090 1.179) 1.353 10.310 ( 0.170 1.693 1.753) 2.443 10.366 ( -1.629 -0.560 3.011) 3.469 11.177 ( 1.525 4.500 -6.669) 8.189 11.311 ( 3.186 -0.745 -2.771) 4.288 11.878 ( -0.112 2.262 3.563) 4.222 11.973 ( -0.295 -0.310 4.157) 4.179 12.178 ( 4.133 -0.874 2.851) 5.096 12.353 ( -9.012 -1.115 4.641) 10.197 13.239 ( 2.393 -0.220 -3.763) 4.465 13.326 ( -0.780 -2.090 -1.599) 2.745 22.380 ( 2.302 -1.472 2.105) 3.449 22.444 ( -3.099 -1.060 2.684) 4.235 22.814 ( 1.116 0.136 0.410) 1.196 22.881 ( -1.332 -2.702 2.354) 3.822 23.328 ( 0.517 0.621 4.077) 4.156 23.344 ( -0.650 0.057 4.136) 4.187 23.679 ( 14.461 1.724 -4.419) 15.219 23.964 ( -12.856 1.631 -5.606) 14.119 ======================= Grid point 91 (37/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.000 0.000 9.825) 9.825 1.769 ( 0.000 -0.000 3.408) 3.408 2.137 ( 0.000 0.000 6.929) 6.929 2.173 ( 0.000 0.000 -23.870) 23.870 2.832 ( 0.000 0.000 12.008) 12.008 3.053 ( 0.000 0.000 0.497) 0.497 3.309 ( 0.000 0.000 -2.269) 2.269 3.645 ( 0.000 0.000 -11.725) 11.725 3.730 ( 0.000 -0.000 -7.500) 7.500 3.944 ( 0.000 0.000 6.017) 6.017 4.067 ( 0.000 0.000 -13.524) 13.524 4.925 ( 0.000 0.000 -1.431) 1.431 5.327 ( 0.000 0.000 -2.014) 2.014 5.393 ( 0.000 0.000 4.313) 4.313 5.641 ( 0.000 0.000 -21.131) 21.131 5.647 ( 0.000 0.000 -18.727) 18.727 6.251 ( 0.000 0.000 -5.621) 5.621 6.323 ( 0.000 0.000 -7.769) 7.769 6.333 ( 0.000 0.000 2.723) 2.723 6.489 ( 0.000 0.000 -1.045) 1.045 6.740 ( 0.000 -0.000 0.618) 0.618 6.884 ( 0.000 0.000 4.603) 4.603 7.515 ( 0.000 0.000 0.277) 0.277 7.616 ( 0.000 0.000 10.582) 10.582 7.771 ( 0.000 0.000 13.369) 13.369 7.813 ( 0.000 0.000 13.197) 13.197 7.893 ( 0.000 0.000 -1.427) 1.427 8.205 ( 0.000 0.000 2.667) 2.667 8.253 ( 0.000 0.000 -3.171) 3.171 8.301 ( 0.000 0.000 0.417) 0.417 10.402 ( 0.000 0.000 5.481) 5.481 10.475 ( 0.000 -0.000 2.910) 2.910 11.019 ( 0.000 -0.000 1.134) 1.134 11.028 ( 0.000 0.000 0.511) 0.511 11.711 ( 0.000 0.000 3.554) 3.554 12.127 ( 0.000 0.000 1.460) 1.460 12.427 ( 0.000 0.000 1.000) 1.000 12.780 ( 0.000 0.000 0.617) 0.617 13.056 ( 0.000 0.000 -2.997) 2.997 13.207 ( 0.000 0.000 -3.977) 3.977 22.337 ( 0.000 0.000 1.150) 1.150 22.729 ( 0.000 -0.000 -2.082) 2.082 22.753 ( 0.000 0.000 0.900) 0.900 22.842 ( 0.000 0.000 -2.082) 2.082 22.997 ( 0.000 0.000 4.509) 4.509 23.354 ( 0.000 0.000 7.635) 7.635 23.358 ( 0.000 -0.000 3.016) 3.016 24.413 ( 0.000 0.000 -7.744) 7.744 ======================= Grid point 93 (38/100) ======================= q-point: ( 0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 11.066 -0.000 10.743) 15.423 1.834 ( 6.264 -0.000 3.591) 7.220 2.151 ( 1.954 0.000 -18.485) 18.587 2.376 ( 17.477 0.000 2.049) 17.597 2.893 ( 5.708 0.000 6.969) 9.008 2.982 ( -6.996 -0.000 5.792) 9.082 3.365 ( 0.221 0.000 -11.454) 11.456 3.616 ( 1.016 0.000 -1.582) 1.880 3.734 ( 6.520 0.000 -11.166) 12.930 4.015 ( -2.867 0.000 -10.773) 11.148 4.241 ( 21.117 0.000 3.137) 21.349 4.952 ( 1.020 0.000 -2.469) 2.671 5.321 ( 1.823 0.000 -1.964) 2.679 5.359 ( -1.863 -0.000 4.139) 4.539 5.688 ( 1.891 0.000 -16.951) 17.056 5.725 ( 6.126 0.000 -17.451) 18.495 6.071 ( -10.193 0.000 -1.288) 10.274 6.111 ( -11.402 -0.000 -3.043) 11.801 6.454 ( 0.209 -0.000 -14.830) 14.832 6.494 ( -1.240 0.000 -6.285) 6.406 6.823 ( 6.274 0.000 9.069) 11.028 6.875 ( -1.126 -0.000 7.161) 7.249 7.498 ( -1.837 0.000 -0.478) 1.898 7.532 ( -6.560 -0.000 9.923) 11.895 7.732 ( -6.422 0.000 6.608) 9.215 7.793 ( 0.143 0.000 12.321) 12.322 7.926 ( 2.618 0.000 5.661) 6.237 8.194 ( -3.849 -0.000 -1.676) 4.198 8.243 ( 3.140 0.000 2.689) 4.134 8.329 ( 1.553 0.000 0.354) 1.593 10.386 ( -1.402 0.000 4.918) 5.114 10.449 ( -2.370 -0.000 2.729) 3.615 11.057 ( 3.671 -0.000 -0.926) 3.786 11.076 ( 4.360 0.000 0.228) 4.366 11.748 ( 3.465 0.000 4.861) 5.970 12.102 ( -2.362 0.000 1.062) 2.590 12.332 ( -7.824 0.000 1.415) 7.951 12.709 ( -6.347 0.000 1.032) 6.430 13.093 ( 3.096 0.000 -2.635) 4.065 13.255 ( 3.530 0.000 -3.788) 5.177 22.326 ( -0.718 0.000 1.476) 1.641 22.620 ( -6.052 -0.000 0.630) 6.085 22.771 ( 1.514 0.000 1.134) 1.891 22.901 ( 0.346 0.000 -1.045) 1.101 23.106 ( 11.177 0.000 0.748) 11.202 23.352 ( -0.111 -0.000 7.093) 7.094 23.355 ( -0.258 0.000 3.162) 3.172 24.360 ( -5.103 0.000 -7.653) 9.199 ======================= Grid point 95 (39/100) ======================= q-point: ( 0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 11.899 0.000 11.621) 16.632 2.015 ( 11.403 0.000 3.819) 12.026 2.200 ( 1.912 -0.000 -16.618) 16.728 2.736 ( 7.642 0.000 7.453) 10.675 2.833 ( -0.725 0.000 5.967) 6.011 3.020 ( 4.871 -0.000 -5.458) 7.315 3.259 ( -3.467 0.000 -16.815) 17.168 3.738 ( -5.384 -0.000 -10.972) 12.222 3.844 ( 15.184 -0.000 -1.847) 15.296 4.106 ( 10.088 0.000 -1.271) 10.168 4.692 ( 20.930 0.000 2.333) 21.060 4.930 ( -1.704 0.000 -5.495) 5.753 5.383 ( 5.932 0.000 3.820) 7.056 5.420 ( 2.811 -0.000 7.641) 8.142 5.653 ( 0.410 0.000 -13.850) 13.856 5.750 ( -11.088 0.000 -2.962) 11.477 5.949 ( 3.104 0.000 -14.441) 14.771 6.016 ( 2.882 0.000 -12.493) 12.821 6.385 ( -5.949 -0.000 -15.779) 16.863 6.417 ( -6.070 0.000 -10.883) 12.462 6.823 ( -4.347 0.000 9.484) 10.432 6.878 ( -2.838 -0.000 12.777) 13.088 7.400 ( -5.326 0.000 7.741) 9.396 7.433 ( -4.494 0.000 -1.714) 4.809 7.613 ( -3.977 0.000 5.698) 6.949 7.741 ( -4.779 0.000 8.069) 9.378 7.988 ( 3.325 0.000 8.852) 9.456 8.134 ( -1.987 -0.000 3.694) 4.195 8.310 ( 3.079 0.000 2.205) 3.787 8.357 ( 1.194 0.000 0.559) 1.318 10.356 ( -1.303 0.000 3.842) 4.057 10.393 ( -2.701 -0.000 2.372) 3.594 11.159 ( 5.838 0.000 -5.368) 7.931 11.182 ( 5.337 -0.000 -1.211) 5.473 11.839 ( 4.973 0.000 7.785) 9.238 12.037 ( -3.815 0.000 0.600) 3.861 12.180 ( -5.568 0.000 2.044) 5.932 12.543 ( -9.583 0.000 2.780) 9.978 13.165 ( 3.809 0.000 -2.354) 4.478 13.308 ( 1.173 0.000 -3.340) 3.540 22.325 ( 0.871 0.000 2.191) 2.358 22.515 ( -4.428 -0.000 2.428) 5.050 22.801 ( 1.255 0.000 1.568) 2.009 22.878 ( -1.756 -0.000 0.760) 1.913 23.326 ( 2.753 0.000 4.234) 5.050 23.348 ( -0.375 0.000 3.566) 3.586 23.406 ( 12.040 0.000 -1.354) 12.116 24.210 ( -9.477 0.000 -7.278) 11.949 ======================= Grid point 97 (40/100) ======================= q-point: ( 0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 8.988 0.000 7.276) 11.564 2.179 ( -4.550 0.000 -3.761) 5.904 2.287 ( 14.659 -0.000 6.051) 15.859 2.575 ( -12.673 0.000 10.380) 16.381 2.936 ( 3.701 0.000 -14.340) 14.810 3.029 ( -3.796 -0.000 -16.446) 16.878 3.401 ( 13.099 0.000 -7.885) 15.289 3.614 ( -7.253 -0.000 -6.740) 9.901 4.113 ( 10.174 0.000 -0.756) 10.202 4.231 ( -0.305 0.000 2.663) 2.680 4.980 ( 6.965 -0.000 -4.519) 8.302 4.997 ( 8.240 0.000 3.560) 8.976 5.336 ( -4.949 0.000 7.880) 9.305 5.437 ( -14.354 0.000 -0.184) 14.356 5.637 ( 15.652 -0.000 -4.532) 16.295 5.807 ( 5.003 0.000 -18.089) 18.768 6.076 ( 3.716 0.000 -10.794) 11.416 6.090 ( 7.831 -0.000 -13.524) 15.628 6.246 ( -6.865 0.000 -7.755) 10.358 6.255 ( -9.629 0.000 -9.473) 13.508 6.715 ( -4.438 0.000 6.261) 7.674 6.739 ( -7.145 -0.000 8.090) 10.794 7.338 ( -1.041 0.000 6.597) 6.679 7.352 ( -2.531 -0.000 2.963) 3.897 7.586 ( 0.960 0.000 4.495) 4.597 7.641 ( -4.250 0.000 4.740) 6.367 8.052 ( 2.773 0.000 9.576) 9.969 8.099 ( -1.853 0.000 8.223) 8.429 8.358 ( 1.567 0.000 1.421) 2.115 8.372 ( 0.122 0.000 0.800) 0.809 10.339 ( -0.186 0.000 2.896) 2.902 10.351 ( -1.349 -0.000 2.352) 2.711 11.260 ( 3.200 0.000 -7.499) 8.153 11.267 ( 2.441 -0.000 -4.516) 5.134 11.914 ( 2.036 0.000 6.989) 7.279 11.961 ( -3.192 0.000 2.222) 3.889 12.168 ( 5.051 0.000 3.862) 6.359 12.337 ( -10.122 0.000 4.796) 11.201 13.242 ( 3.512 0.000 -2.451) 4.283 13.299 ( -1.893 0.000 -2.827) 3.403 22.364 ( 2.838 0.000 2.857) 4.027 22.432 ( -3.772 -0.000 3.080) 4.870 22.822 ( 0.912 0.000 1.727) 1.953 22.844 ( -1.399 -0.000 1.435) 2.004 23.337 ( 0.149 0.000 4.959) 4.961 23.341 ( -0.311 0.000 4.173) 4.184 23.700 ( 14.704 0.000 -5.154) 15.581 23.982 ( -12.760 0.000 -6.479) 14.311 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 0.000 21.899) 21.899 1.093 ( 0.000 0.000 25.634) 25.634 2.031 ( 0.000 0.000 44.745) 44.745 2.168 ( 0.000 0.000 -15.201) 15.201 2.574 ( 0.000 0.000 -10.227) 10.227 2.846 ( 0.000 0.000 2.814) 2.814 3.242 ( 0.000 0.000 -26.993) 26.993 3.423 ( 0.000 0.000 -12.400) 12.400 3.669 ( 0.000 0.000 -15.208) 15.208 3.779 ( 0.000 0.000 -17.065) 17.065 4.002 ( 0.000 0.000 -16.460) 16.460 4.971 ( 0.000 0.000 -24.392) 24.392 5.199 ( 0.000 0.000 -12.296) 12.296 5.660 ( 0.000 0.000 3.073) 3.073 5.685 ( 0.000 0.000 -1.836) 1.836 5.776 ( 0.000 0.000 5.406) 5.406 6.142 ( 0.000 0.000 1.144) 1.144 6.261 ( 0.000 0.000 -14.848) 14.848 6.512 ( 0.000 0.000 -2.859) 2.859 6.811 ( 0.000 0.000 3.939) 3.939 6.995 ( 0.000 0.000 8.681) 8.681 7.093 ( 0.000 0.000 9.296) 9.296 7.521 ( 0.000 0.000 -0.751) 0.751 7.619 ( 0.000 0.000 10.604) 10.604 7.758 ( 0.000 0.000 -1.561) 1.561 7.839 ( 0.000 0.000 3.291) 3.291 7.972 ( 0.000 0.000 -0.547) 0.547 8.216 ( 0.000 0.000 1.804) 1.804 8.292 ( 0.000 0.000 15.268) 15.268 8.350 ( 0.000 0.000 7.373) 7.373 10.261 ( 0.000 0.000 2.016) 2.016 10.505 ( 0.000 0.000 -1.970) 1.970 10.945 ( 0.000 0.000 1.324) 1.324 11.162 ( 0.000 0.000 -1.786) 1.786 11.964 ( 0.000 0.000 2.648) 2.648 12.324 ( 0.000 0.000 -3.377) 3.377 12.344 ( 0.000 0.000 5.733) 5.733 12.409 ( 0.000 0.000 7.006) 7.006 13.045 ( 0.000 0.000 -2.053) 2.053 13.155 ( 0.000 0.000 -5.681) 5.681 22.323 ( 0.000 0.000 3.204) 3.204 22.582 ( 0.000 0.000 1.636) 1.636 22.844 ( 0.000 0.000 -1.744) 1.744 22.885 ( 0.000 0.000 -5.103) 5.103 23.065 ( 0.000 0.000 0.121) 0.121 23.087 ( 0.000 0.000 -0.782) 0.782 23.589 ( 0.000 0.000 8.871) 8.871 24.466 ( 0.000 0.000 -4.610) 4.610 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 13.900 0.000 19.425) 23.886 1.255 ( 5.597 0.000 26.943) 27.518 2.151 ( 18.259 0.000 38.150) 42.295 2.330 ( 10.907 0.000 -16.165) 19.500 2.575 ( 0.893 0.000 -10.639) 10.676 2.873 ( 2.826 0.000 -5.897) 6.539 3.263 ( -2.304 0.000 -24.346) 24.454 3.407 ( 7.235 0.000 -6.981) 10.054 3.445 ( -14.798 0.000 -9.889) 17.798 4.031 ( 16.070 0.000 -21.697) 27.000 4.166 ( 13.097 0.000 -13.957) 19.140 4.867 ( -6.658 0.000 -22.203) 23.180 5.276 ( 2.288 0.000 -17.743) 17.889 5.442 ( -13.161 0.000 0.554) 13.173 5.688 ( -2.753 0.000 -0.451) 2.789 5.845 ( -1.157 0.000 8.301) 8.382 5.923 ( -0.461 0.000 -1.741) 1.801 6.497 ( -0.784 0.000 -3.490) 3.577 6.533 ( 8.334 0.000 -8.946) 12.226 6.811 ( -1.366 0.000 7.870) 7.988 6.973 ( -0.358 0.000 2.208) 2.236 7.133 ( 2.961 0.000 9.916) 10.349 7.412 ( -7.067 0.000 5.845) 9.171 7.676 ( 1.403 0.000 1.763) 2.253 7.731 ( -2.489 0.000 -1.989) 3.186 7.794 ( -4.729 0.000 7.047) 8.486 7.970 ( -0.082 0.000 -0.213) 0.228 8.035 ( -9.636 0.000 6.786) 11.786 8.369 ( 1.755 0.000 7.780) 7.975 8.387 ( 4.394 0.000 10.331) 11.227 10.263 ( 0.493 0.000 1.961) 2.022 10.488 ( -1.590 0.000 -1.599) 2.255 10.973 ( 2.702 0.000 1.798) 3.245 11.202 ( 3.067 0.000 -1.828) 3.570 11.973 ( 0.847 0.000 2.158) 2.318 12.046 ( -12.827 0.000 8.488) 15.381 12.373 ( -3.332 0.000 6.360) 7.180 12.451 ( 0.425 0.000 -1.837) 1.885 13.151 ( 7.339 0.000 -5.460) 9.147 13.182 ( 2.419 0.000 -5.235) 5.767 22.389 ( 4.659 0.000 -0.167) 4.662 22.605 ( 2.520 0.000 1.100) 2.749 22.700 ( -7.102 0.000 -1.911) 7.354 23.004 ( 2.559 0.000 -4.531) 5.204 23.096 ( 2.810 0.000 -0.347) 2.831 23.110 ( 4.138 0.000 -1.294) 4.336 23.595 ( 0.866 0.000 8.841) 8.883 24.365 ( -8.587 0.000 -1.032) 8.649 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 4.767 0.000 27.445) 27.856 1.478 ( 22.177 0.000 14.719) 26.617 2.312 ( -13.002 0.000 -10.979) 17.018 2.606 ( 2.799 0.000 -11.663) 11.994 2.743 ( 31.897 0.000 24.021) 39.930 3.030 ( 4.515 0.000 -23.469) 23.899 3.101 ( -17.526 0.000 -6.591) 18.725 3.286 ( 13.362 0.000 -19.370) 23.531 3.681 ( 14.468 0.000 -0.120) 14.468 4.302 ( 7.457 0.000 -26.331) 27.366 4.446 ( 12.776 0.000 -9.252) 15.774 4.754 ( -5.855 0.000 -24.818) 25.499 5.230 ( -5.595 0.000 -0.489) 5.616 5.246 ( 0.802 0.000 -7.616) 7.658 5.705 ( 3.856 0.000 -7.629) 8.548 5.721 ( -8.609 0.000 4.326) 9.635 6.014 ( 3.478 0.000 0.177) 3.482 6.440 ( -6.682 0.000 1.596) 6.870 6.538 ( -4.563 0.000 -0.413) 4.582 6.736 ( -5.142 0.000 5.487) 7.520 7.012 ( 3.287 0.000 1.757) 3.727 7.196 ( 3.339 0.000 6.669) 7.458 7.260 ( -8.489 0.000 8.567) 12.061 7.552 ( -9.445 0.000 11.081) 14.561 7.675 ( -2.391 0.000 -2.251) 3.284 7.747 ( -1.062 0.000 -3.752) 3.900 7.941 ( -0.545 0.000 2.834) 2.886 7.971 ( 0.140 0.000 -0.071) 0.157 8.415 ( 2.565 0.000 8.743) 9.111 8.457 ( 2.498 0.000 10.376) 10.672 10.287 ( 1.797 0.000 1.491) 2.336 10.444 ( -2.556 0.000 -0.743) 2.662 11.046 ( 4.177 0.000 2.902) 5.086 11.243 ( 0.235 0.000 0.486) 0.540 11.887 ( -2.622 0.000 7.592) 8.032 11.993 ( 0.786 0.000 1.185) 1.423 12.295 ( -3.615 0.000 4.979) 6.153 12.408 ( -3.795 0.000 -1.356) 4.030 13.239 ( 2.903 0.000 -4.636) 5.470 13.266 ( 3.672 0.000 -6.203) 7.208 22.455 ( 1.722 0.000 -0.855) 1.923 22.580 ( -4.679 0.000 -0.986) 4.782 22.685 ( 4.987 0.000 -1.303) 5.154 22.981 ( -3.165 0.000 -3.016) 4.372 23.163 ( 3.321 0.000 -0.934) 3.449 23.215 ( 3.902 0.000 -3.072) 4.966 23.647 ( 4.811 0.000 7.826) 9.187 24.170 ( -9.895 0.000 2.479) 10.200 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 17.015 0.000 11.542) 20.560 1.881 ( -3.608 0.000 3.250) 4.856 2.035 ( 8.248 0.000 5.535) 9.933 2.462 ( -19.139 0.000 4.594) 19.682 2.896 ( 1.180 0.000 -23.319) 23.349 2.984 ( -4.985 0.000 -29.266) 29.687 3.355 ( 24.105 0.000 14.531) 28.146 3.605 ( 4.173 0.000 -5.507) 6.909 3.935 ( 15.413 0.000 -7.135) 16.985 4.273 ( -11.388 0.000 -21.794) 24.590 4.594 ( 0.940 0.000 -12.034) 12.071 4.607 ( -4.411 0.000 -20.337) 20.810 5.302 ( 11.887 0.000 2.493) 12.146 5.391 ( 7.405 0.000 -12.048) 14.142 5.596 ( -2.076 0.000 -7.752) 8.025 5.701 ( -7.834 0.000 2.345) 8.177 6.012 ( 2.486 0.000 -2.373) 3.437 6.216 ( -13.693 0.000 5.017) 14.584 6.519 ( 3.525 0.000 6.500) 7.395 6.624 ( -5.776 0.000 4.329) 7.218 7.059 ( 1.097 0.000 6.546) 6.638 7.105 ( -4.952 0.000 9.117) 10.375 7.284 ( 5.360 0.000 3.134) 6.209 7.401 ( -6.068 0.000 6.700) 9.040 7.657 ( 0.887 0.000 -2.215) 2.386 7.701 ( -2.870 0.000 -3.907) 4.847 7.956 ( 1.112 0.000 0.214) 1.133 7.971 ( -0.300 0.000 -0.410) 0.508 8.463 ( 1.941 0.000 9.613) 9.807 8.484 ( 0.090 0.000 10.138) 10.139 10.333 ( 2.590 0.000 0.885) 2.737 10.389 ( -2.837 0.000 0.157) 2.842 11.134 ( 4.256 0.000 3.791) 5.700 11.210 ( -3.056 0.000 3.306) 4.502 11.908 ( 3.440 0.000 3.920) 5.216 11.979 ( -2.556 0.000 1.696) 3.068 12.261 ( 0.925 0.000 2.461) 2.629 12.321 ( -4.229 0.000 -0.069) 4.229 13.289 ( 1.784 0.000 -4.613) 4.946 13.305 ( 0.378 0.000 -5.252) 5.265 22.478 ( 1.004 0.000 -0.167) 1.018 22.510 ( -2.344 0.000 -0.305) 2.364 22.793 ( 5.383 0.000 -2.625) 5.989 22.898 ( -4.803 0.000 -2.856) 5.588 23.221 ( 2.215 0.000 -1.187) 2.514 23.248 ( -0.268 0.000 -1.918) 1.936 23.788 ( 8.502 0.000 5.380) 10.061 23.973 ( -9.460 0.000 3.805) 10.197 ======================= Grid point 133 (45/100) ======================= q-point: ( 0.00 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 0.000 8.870 22.919) 24.576 1.306 ( 0.000 18.783 20.189) 27.575 2.064 ( 0.000 9.839 39.838) 41.035 2.257 ( 0.000 8.166 -14.378) 16.535 2.737 ( 0.000 10.969 -13.349) 17.278 2.834 ( 0.000 -1.152 3.064) 3.274 3.164 ( 0.000 -5.379 -13.175) 14.231 3.369 ( 0.000 1.198 -23.259) 23.290 3.651 ( 0.000 -11.917 -12.876) 17.544 3.786 ( 0.000 7.252 -7.596) 10.503 3.939 ( 0.000 -5.937 -18.753) 19.671 4.913 ( 0.000 -6.503 -23.545) 24.427 5.167 ( 0.000 -2.793 -13.012) 13.309 5.426 ( 0.000 -15.811 -1.596) 15.892 5.537 ( 0.000 -7.239 -2.282) 7.590 5.697 ( 0.000 -9.832 -0.137) 9.833 6.232 ( 0.000 6.375 2.180) 6.738 6.277 ( 0.000 -2.150 -8.497) 8.765 6.533 ( 0.000 0.207 -2.731) 2.739 6.800 ( 0.000 -1.840 0.963) 2.077 7.079 ( 0.000 -2.092 5.751) 6.120 7.114 ( 0.000 11.843 10.703) 15.963 7.543 ( 0.000 -5.670 7.202) 9.166 7.621 ( 0.000 -2.885 6.261) 6.894 7.667 ( 0.000 11.807 -1.277) 11.876 7.953 ( 0.000 -0.486 -1.333) 1.419 8.008 ( 0.000 4.124 1.674) 4.451 8.177 ( 0.000 -3.808 2.055) 4.327 8.276 ( 0.000 -1.215 14.308) 14.359 8.355 ( 0.000 0.311 8.021) 8.027 10.282 ( 0.000 2.336 2.425) 3.367 10.549 ( 0.000 3.232 -1.818) 3.709 10.951 ( 0.000 0.610 1.416) 1.542 11.154 ( 0.000 -0.738 -1.434) 1.613 11.857 ( 0.000 -6.924 5.604) 8.907 12.273 ( 0.000 -2.422 1.396) 2.796 12.355 ( 0.000 1.146 5.227) 5.351 12.522 ( 0.000 6.872 1.225) 6.980 13.074 ( 0.000 2.066 -3.011) 3.652 13.133 ( 0.000 -2.092 -5.634) 6.010 22.329 ( 0.000 0.559 3.090) 3.141 22.586 ( 0.000 0.769 1.949) 2.095 22.835 ( 0.000 -0.491 -0.489) 0.693 22.871 ( 0.000 -1.279 -4.921) 5.085 23.017 ( 0.000 -0.839 1.197) 1.462 23.221 ( 0.000 7.585 -1.806) 7.797 23.577 ( 0.000 -1.098 8.751) 8.820 24.409 ( 0.000 -4.594 -4.658) 6.542 ======================= Grid point 134 (46/100) ======================= q-point: ( 0.14 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 5.312 9.780 22.427) 25.036 1.378 ( 4.821 9.716 25.316) 27.541 2.267 ( 20.910 12.774 27.835) 37.084 2.368 ( 5.921 5.484 -13.649) 15.857 2.745 ( 1.348 8.639 -12.640) 15.369 2.869 ( 3.531 -0.413 -3.681) 5.118 3.122 ( -6.103 -4.408 -13.925) 15.830 3.359 ( 5.698 -1.192 -15.646) 16.694 3.585 ( -6.468 6.538 -4.673) 10.316 3.901 ( 10.961 -11.449 -14.686) 21.608 4.121 ( 14.671 -3.388 -18.916) 24.177 4.849 ( -3.900 -2.666 -22.446) 22.938 5.179 ( -2.379 -7.005 -12.727) 14.721 5.419 ( 1.402 -4.228 -5.102) 6.773 5.531 ( 2.618 -7.720 -0.880) 8.199 5.847 ( 4.403 -5.404 1.998) 7.251 5.955 ( -8.806 0.948 -3.332) 9.463 6.389 ( -2.409 -3.439 -4.479) 6.140 6.507 ( -0.258 -5.157 -1.279) 5.320 6.800 ( -2.159 -1.561 6.090) 6.647 7.057 ( -2.101 3.819 -2.130) 4.851 7.123 ( 0.631 3.415 12.348) 12.827 7.422 ( -8.199 -3.337 7.147) 11.377 7.605 ( -0.931 0.392 5.492) 5.584 7.766 ( 5.359 7.649 -0.234) 9.342 7.906 ( -5.316 -0.068 0.967) 5.403 7.980 ( -2.730 1.295 0.684) 3.098 8.068 ( -5.145 2.769 4.263) 7.233 8.344 ( 3.903 -1.658 10.379) 11.212 8.389 ( 2.846 -0.135 8.963) 9.404 10.276 ( -0.245 1.768 2.512) 3.081 10.523 ( -2.289 2.502 -1.066) 3.554 10.979 ( 2.377 0.647 1.322) 2.796 11.180 ( 2.260 -1.949 -1.337) 3.270 11.868 ( 0.986 -4.943 5.607) 7.539 12.117 ( -8.907 2.856 4.389) 10.332 12.344 ( -2.762 -1.148 4.895) 5.737 12.528 ( -1.013 5.417 0.107) 5.512 13.118 ( 3.050 -2.318 -5.217) 6.472 13.197 ( 5.376 0.577 -5.157) 7.472 22.386 ( 4.167 -0.321 0.594) 4.221 22.591 ( 0.313 -0.509 2.053) 2.138 22.717 ( -4.658 1.180 -2.025) 5.214 23.000 ( 3.385 0.356 -1.775) 3.839 23.046 ( 5.008 -2.170 -1.060) 5.560 23.228 ( 0.911 6.987 -1.896) 7.297 23.578 ( 0.400 -1.479 8.725) 8.858 24.323 ( -7.608 -3.534 -2.333) 8.707 ======================= Grid point 135 (47/100) ======================= q-point: ( 0.29 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 6.231 6.286 24.072) 25.648 1.609 ( 17.535 8.879 16.891) 25.916 2.300 ( -11.528 0.603 -9.423) 14.901 2.688 ( 2.251 0.338 -12.583) 12.787 2.856 ( 22.727 5.337 10.218) 25.483 2.913 ( -10.025 -1.652 -1.657) 10.295 3.038 ( 2.667 3.142 -16.389) 16.899 3.461 ( 9.377 6.693 -13.600) 17.824 3.700 ( 14.557 5.029 -3.448) 15.782 4.117 ( 10.807 -15.497 -12.553) 22.683 4.422 ( 10.149 -0.231 -23.180) 25.305 4.793 ( -1.858 -0.526 -20.275) 20.367 5.140 ( 1.722 -0.670 -9.599) 9.776 5.433 ( -1.702 7.054 -0.881) 7.310 5.535 ( -1.664 -7.001 -0.110) 7.197 5.804 ( 1.382 1.970 -8.825) 9.147 5.981 ( 0.490 -5.816 3.115) 6.616 6.331 ( -1.917 -11.238 -3.624) 11.963 6.438 ( -6.417 -7.551 3.275) 10.437 6.680 ( -8.890 -0.938 7.330) 11.560 7.008 ( -2.369 -3.753 -6.119) 7.559 7.101 ( -3.517 -0.074 12.015) 12.519 7.288 ( -3.372 -1.845 7.505) 8.432 7.557 ( -4.999 1.828 7.217) 8.967 7.724 ( -6.571 4.112 3.582) 8.539 7.871 ( -0.378 5.056 -0.731) 5.122 7.925 ( 0.867 2.025 -0.582) 2.279 8.046 ( 0.980 4.872 0.399) 4.986 8.413 ( 2.935 -0.163 8.858) 9.333 8.449 ( 2.561 -0.716 10.386) 10.720 10.282 ( 0.909 0.361 2.137) 2.350 10.468 ( -2.877 1.523 0.121) 3.258 11.028 ( 2.114 -1.113 1.655) 2.907 11.232 ( 2.456 -1.155 -0.336) 2.734 11.879 ( -0.144 0.106 5.805) 5.808 12.015 ( -0.960 1.496 3.003) 3.489 12.271 ( -3.451 -1.172 3.816) 5.277 12.472 ( -4.089 4.686 0.840) 6.275 13.181 ( 2.870 -3.628 -5.256) 7.002 13.292 ( 3.374 0.695 -5.186) 6.226 22.443 ( 1.161 -1.031 -0.348) 1.591 22.570 ( -2.338 -0.708 1.099) 2.679 22.703 ( 2.958 1.714 -1.857) 3.891 23.005 ( -1.364 1.481 -0.340) 2.042 23.167 ( 4.592 0.294 -3.314) 5.671 23.261 ( 1.965 4.375 -2.127) 5.246 23.616 ( 4.007 -2.759 7.881) 9.261 24.141 ( -9.679 -2.574 0.621) 10.035 ======================= Grid point 136 (48/100) ======================= q-point: ( 0.43 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 14.742 4.569 10.832) 18.856 1.929 ( -7.788 4.072 3.571) 9.486 2.075 ( 12.724 2.706 8.075) 15.311 2.515 ( -21.687 0.263 5.183) 22.299 2.770 ( 4.201 -5.103 -21.425) 22.421 2.950 ( -4.651 -1.723 -24.476) 24.974 3.397 ( 18.765 4.566 7.721) 20.799 3.628 ( 0.417 -0.359 -2.337) 2.401 4.032 ( 18.377 9.660 -15.913) 26.158 4.342 ( 0.816 1.980 -13.207) 13.380 4.415 ( 0.350 -6.736 -16.042) 17.402 4.705 ( -8.688 3.120 -18.116) 20.333 5.282 ( 8.996 -3.232 -2.388) 9.853 5.436 ( 2.558 3.889 -8.560) 9.744 5.557 ( 4.836 -1.039 -4.935) 6.987 5.749 ( -10.351 1.702 -1.658) 10.620 6.008 ( 6.377 -1.354 -1.318) 6.651 6.224 ( -10.878 -3.235 7.752) 13.743 6.363 ( 1.806 -12.251 4.695) 13.244 6.498 ( -7.271 -5.382 2.850) 9.484 6.980 ( -0.156 -10.369 -1.676) 10.505 7.015 ( -3.291 -5.612 2.734) 7.057 7.296 ( 3.348 2.829 9.429) 10.398 7.412 ( -7.248 2.764 9.317) 12.124 7.656 ( -1.120 2.453 -0.113) 2.699 7.833 ( -1.348 1.643 3.261) 3.892 7.972 ( 1.599 6.393 -2.978) 7.231 8.066 ( 0.622 5.829 -1.198) 5.983 8.463 ( 1.810 -0.101 9.397) 9.570 8.480 ( 0.301 -0.454 10.057) 10.072 10.307 ( 1.159 -0.956 1.382) 2.041 10.416 ( -1.814 1.389 1.156) 2.560 11.058 ( 0.742 -3.780 1.873) 4.283 11.269 ( 1.017 2.355 1.344) 2.896 11.883 ( 0.565 -0.931 3.243) 3.421 12.015 ( -0.255 2.278 3.492) 4.177 12.239 ( 0.421 -0.690 1.498) 1.702 12.385 ( -3.522 4.250 2.548) 6.079 13.225 ( 1.231 -3.788 -5.233) 6.576 13.334 ( 0.862 0.558 -4.431) 4.548 22.452 ( 0.086 -1.244 0.202) 1.263 22.530 ( -1.163 0.631 1.075) 1.705 22.774 ( 2.783 -0.185 -2.364) 3.656 22.964 ( -1.904 3.696 -0.557) 4.195 23.226 ( 1.488 1.573 -3.009) 3.707 23.285 ( 0.304 3.026 -1.319) 3.315 23.746 ( 8.036 -3.726 5.041) 10.192 23.945 ( -9.258 -2.584 2.460) 9.922 ======================= Grid point 140 (49/100) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 11.449 18.217) 21.516 1.476 ( 0.000 4.013 27.473) 27.764 2.384 ( 0.000 4.634 0.952) 4.731 2.459 ( 0.000 9.009 -8.748) 12.558 2.782 ( 0.000 3.261 3.658) 4.900 2.803 ( 0.000 -1.308 1.317) 1.857 3.248 ( 0.000 8.017 -12.158) 14.563 3.355 ( 0.000 -13.528 -9.350) 16.445 3.546 ( 0.000 14.828 -10.658) 18.261 3.771 ( 0.000 -9.989 -19.728) 22.113 3.989 ( 0.000 16.633 -1.902) 16.742 4.626 ( 0.000 -21.451 -17.926) 27.955 5.118 ( 0.000 -0.768 -13.581) 13.602 5.204 ( 0.000 -4.179 -9.003) 9.926 5.446 ( 0.000 -2.136 -9.802) 10.032 5.499 ( 0.000 -8.119 -3.297) 8.763 6.156 ( 0.000 -7.599 -6.362) 9.911 6.331 ( 0.000 3.073 1.509) 3.423 6.511 ( 0.000 -1.706 -1.745) 2.441 6.696 ( 0.000 -9.772 -9.694) 13.765 6.974 ( 0.000 -6.798 11.333) 13.216 7.427 ( 0.000 16.465 11.808) 20.261 7.441 ( 0.000 -5.097 8.075) 9.549 7.631 ( 0.000 1.048 1.381) 1.734 7.886 ( 0.000 -7.980 0.582) 8.002 7.910 ( 0.000 9.908 -0.434) 9.918 7.959 ( 0.000 -2.639 3.234) 4.174 8.166 ( 0.000 2.283 1.871) 2.952 8.255 ( 0.000 -0.398 12.544) 12.551 8.358 ( 0.000 -0.015 8.090) 8.090 10.357 ( 0.000 4.584 3.651) 5.860 10.599 ( 0.000 1.190 1.127) 1.639 10.970 ( 0.000 1.251 1.600) 2.031 11.131 ( 0.000 -1.536 -0.528) 1.625 11.771 ( 0.000 -1.018 6.104) 6.189 12.227 ( 0.000 -2.125 2.417) 3.219 12.390 ( 0.000 2.095 3.980) 4.497 12.655 ( 0.000 5.859 0.117) 5.860 13.074 ( 0.000 -3.394 -5.509) 6.471 13.105 ( 0.000 0.811 -3.871) 3.955 22.345 ( 0.000 0.909 2.796) 2.940 22.620 ( 0.000 2.402 1.798) 3.000 22.824 ( 0.000 -0.766 0.336) 0.837 22.836 ( 0.000 -1.927 -4.463) 4.861 23.024 ( 0.000 1.255 2.079) 2.429 23.356 ( 0.000 5.081 0.886) 5.158 23.552 ( 0.000 -1.099 8.653) 8.722 24.312 ( 0.000 -4.368 -6.875) 8.145 ======================= Grid point 141 (50/100) ======================= q-point: ( 0.14 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 3.181 9.579 24.041) 26.074 1.553 ( 7.755 8.581 18.055) 21.442 2.440 ( 2.006 -5.929 -8.529) 10.580 2.571 ( 4.469 10.491 -7.905) 13.875 2.748 ( 2.693 2.416 3.686) 5.165 2.882 ( 8.503 2.554 1.053) 8.940 3.220 ( -4.187 3.157 -2.155) 5.670 3.386 ( 6.008 3.009 -11.000) 12.890 3.626 ( 7.347 -4.057 -14.885) 17.088 3.811 ( -1.453 9.868 -6.117) 11.700 4.078 ( 14.586 3.111 -14.549) 20.836 4.662 ( 1.472 -15.793 -16.496) 22.885 5.091 ( 1.797 -0.241 -13.744) 13.863 5.305 ( 3.009 -5.066 -9.223) 10.944 5.444 ( 5.401 -2.197 -7.537) 9.529 5.630 ( 8.784 -9.386 -2.606) 13.116 5.998 ( -12.031 0.655 -6.485) 13.683 6.306 ( -4.739 -6.765 1.966) 8.491 6.399 ( -7.992 -2.775 -2.745) 8.894 6.701 ( -1.260 -9.568 -5.781) 11.249 7.012 ( 1.741 -4.098 8.562) 9.651 7.293 ( -7.535 5.148 7.061) 11.538 7.430 ( -6.289 7.381 10.066) 13.977 7.625 ( -0.038 -0.026 3.346) 3.346 7.840 ( -3.818 -5.767 1.462) 7.069 7.928 ( -1.847 -0.279 4.126) 4.529 7.961 ( 3.100 5.013 -0.620) 5.927 8.132 ( -1.287 3.209 1.900) 3.945 8.324 ( 4.782 -0.029 10.570) 11.602 8.384 ( 2.170 -0.261 8.384) 8.664 10.342 ( -1.217 4.287 3.659) 5.766 10.560 ( -3.297 0.823 1.625) 3.767 11.002 ( 2.124 1.449 0.397) 2.602 11.134 ( 1.101 -2.238 -0.707) 2.593 11.820 ( 4.372 0.133 5.849) 7.304 12.147 ( -6.411 0.321 2.814) 7.008 12.340 ( -3.987 0.661 4.639) 6.153 12.639 ( -2.212 4.870 0.920) 5.427 13.066 ( 1.337 -2.526 -5.522) 6.218 13.196 ( 5.500 -0.693 -4.578) 7.189 22.378 ( 2.533 -0.415 2.092) 3.311 22.601 ( -1.685 1.345 2.353) 3.191 22.742 ( -1.866 1.192 -1.734) 2.812 22.976 ( 5.359 -3.085 -0.646) 6.217 23.046 ( 3.976 2.350 -0.489) 4.645 23.358 ( 0.273 5.086 0.773) 5.151 23.544 ( -0.572 -1.544 8.504) 8.662 24.245 ( -6.224 -3.636 -5.928) 9.333 ======================= Grid point 142 (51/100) ======================= q-point: ( 0.29 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 7.324 13.341 18.120) 23.664 1.761 ( 12.873 6.390 13.736) 19.880 2.324 ( -11.235 -1.715 -4.011) 12.052 2.565 ( -3.544 -2.413 -15.486) 16.069 2.823 ( -0.099 -2.734 -9.360) 9.752 3.077 ( -3.267 4.595 5.460) 7.849 3.246 ( 15.395 10.777 2.374) 18.941 3.521 ( 8.129 3.127 -7.238) 11.324 3.801 ( 10.958 -10.660 -6.476) 16.603 3.950 ( 15.870 15.068 -13.779) 25.860 4.430 ( 14.193 2.147 -20.384) 24.931 4.675 ( 2.438 -10.138 -12.525) 16.297 5.158 ( 1.702 0.103 -18.729) 18.806 5.358 ( 5.365 -4.661 -3.196) 7.792 5.581 ( 2.032 1.554 -1.825) 3.142 5.756 ( -0.336 -8.629 -0.072) 8.636 5.839 ( 3.630 -0.705 -7.245) 8.134 6.120 ( -10.832 -8.180 -1.965) 13.715 6.262 ( -5.730 -8.465 -0.071) 10.222 6.628 ( -5.687 -7.632 0.046) 9.518 6.954 ( -7.290 -0.380 0.309) 7.307 7.130 ( -11.142 2.504 8.346) 14.144 7.307 ( -0.963 4.674 7.333) 8.749 7.593 ( -3.698 0.489 5.068) 6.293 7.752 ( -4.397 -1.563 4.603) 6.555 7.855 ( -4.048 -2.829 4.339) 6.574 8.047 ( 4.426 5.509 -0.055) 7.067 8.142 ( 1.653 4.245 0.170) 4.558 8.409 ( 3.206 -0.210 8.714) 9.287 8.434 ( 2.440 -0.559 9.607) 9.927 10.319 ( -0.740 3.072 3.246) 4.531 10.488 ( -3.408 0.352 2.195) 4.069 11.021 ( 0.009 0.543 -1.263) 1.375 11.198 ( 4.509 -1.920 -1.675) 5.179 11.909 ( 2.422 2.663 5.193) 6.319 12.041 ( -1.996 1.047 4.103) 4.682 12.257 ( -3.388 -0.370 4.007) 5.261 12.563 ( -4.974 3.570 2.852) 6.754 13.113 ( 2.684 -2.515 -5.581) 6.684 13.286 ( 3.048 -1.250 -4.463) 5.548 22.418 ( 1.300 -1.219 1.627) 2.413 22.565 ( -1.789 0.339 3.178) 3.663 22.746 ( 1.859 2.213 -1.530) 3.270 23.005 ( -0.385 -1.833 2.290) 2.958 23.198 ( 7.673 2.916 -4.783) 9.500 23.366 ( 0.388 5.042 0.222) 5.062 23.549 ( 2.051 -3.310 7.708) 8.636 24.080 ( -9.418 -2.851 -3.974) 10.612 ======================= Grid point 143 (52/100) ======================= q-point: ( 0.43 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 9.850 12.024 9.879) 18.417 2.014 ( -1.003 2.908 4.505) 5.455 2.126 ( 5.861 4.084 6.911) 9.939 2.416 ( -12.745 -3.661 -6.170) 14.626 2.763 ( -1.479 -0.732 -12.336) 12.446 2.961 ( -4.821 1.178 -10.478) 11.594 3.542 ( 9.733 5.084 2.445) 11.250 3.639 ( 1.618 6.351 -7.478) 9.944 4.107 ( 16.464 -8.675 -1.247) 18.652 4.297 ( 11.255 1.731 -11.816) 16.410 4.468 ( -2.740 7.617 -18.828) 20.495 4.777 ( -2.478 4.317 -23.597) 24.116 5.181 ( 5.856 -5.361 -7.011) 10.592 5.463 ( -2.922 -4.271 -7.164) 8.837 5.572 ( 6.433 1.160 -1.988) 6.832 5.715 ( -6.135 -3.137 -2.965) 7.501 5.928 ( 1.687 -5.860 -3.131) 6.855 5.987 ( -1.840 -12.169 2.523) 12.564 6.218 ( 3.186 -2.103 2.180) 4.396 6.487 ( -7.306 -1.947 6.271) 9.823 6.816 ( -4.015 -2.976 -6.828) 8.462 6.898 ( -8.331 -3.417 2.840) 9.442 7.363 ( 4.881 2.868 8.010) 9.808 7.482 ( -6.393 2.553 7.609) 10.261 7.681 ( -2.047 -0.222 3.830) 4.348 7.800 ( -1.266 -3.030 6.362) 7.159 8.115 ( 1.863 5.481 -0.106) 5.790 8.172 ( 0.869 3.907 -0.987) 4.122 8.455 ( 1.370 -0.665 9.245) 9.370 8.468 ( 0.720 -0.453 9.112) 9.152 10.315 ( 0.141 1.638 2.417) 2.923 10.434 ( -1.609 0.447 2.712) 3.185 11.019 ( -0.074 0.080 -2.078) 2.081 11.276 ( 2.353 -1.576 -2.834) 4.006 11.897 ( -1.240 2.376 4.390) 5.143 12.057 ( 0.737 1.757 5.022) 5.371 12.239 ( 1.597 0.542 2.606) 3.104 12.458 ( -4.282 2.270 5.311) 7.190 13.157 ( 1.271 -2.316 -5.719) 6.300 13.322 ( 0.697 -1.649 -3.807) 4.207 22.439 ( 0.740 -0.066 1.872) 2.014 22.530 ( -1.313 -0.342 3.470) 3.726 22.791 ( 1.732 1.331 -1.263) 2.523 22.988 ( -0.852 -1.394 2.583) 3.056 23.303 ( 2.681 5.256 -3.402) 6.811 23.364 ( -0.647 4.319 -0.001) 4.368 23.657 ( 7.923 -4.287 2.987) 9.490 23.880 ( -9.654 -3.261 -1.397) 10.285 ======================= Grid point 147 (53/100) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 0.000 8.784 11.876) 14.772 1.619 ( 0.000 7.470 15.162) 16.902 2.185 ( 0.000 -14.575 -5.102) 15.442 2.451 ( 0.000 -8.896 8.863) 12.558 2.890 ( 0.000 9.655 -8.921) 13.145 2.945 ( 0.000 7.584 4.554) 8.846 3.238 ( 0.000 2.516 -13.807) 14.034 3.282 ( 0.000 -5.485 -4.271) 6.951 3.551 ( 0.000 -9.943 -17.431) 20.068 3.923 ( 0.000 19.722 7.521) 21.108 4.137 ( 0.000 -23.252 -14.294) 27.294 4.480 ( 0.000 25.134 -9.843) 26.993 5.160 ( 0.000 4.562 -13.243) 14.006 5.197 ( 0.000 2.106 -12.052) 12.235 5.362 ( 0.000 -5.506 -7.151) 9.025 5.415 ( 0.000 -1.009 -9.281) 9.335 6.032 ( 0.000 -3.586 -13.020) 13.505 6.369 ( 0.000 0.938 1.456) 1.732 6.378 ( 0.000 -18.966 -10.130) 21.502 6.479 ( 0.000 -1.140 -1.200) 1.655 6.873 ( 0.000 -2.586 8.963) 9.329 7.261 ( 0.000 -13.294 11.261) 17.422 7.547 ( 0.000 -4.429 -1.302) 4.617 7.730 ( 0.000 11.872 12.160) 16.994 7.841 ( 0.000 2.193 1.014) 2.417 7.940 ( 0.000 -0.173 1.715) 1.723 8.031 ( 0.000 1.726 4.354) 4.683 8.208 ( 0.000 1.502 1.701) 2.270 8.277 ( 0.000 2.378 7.930) 8.279 8.352 ( 0.000 -0.665 7.281) 7.311 10.456 ( 0.000 4.723 5.305) 7.103 10.596 ( 0.000 -1.402 4.383) 4.602 11.002 ( 0.000 1.871 1.634) 2.484 11.092 ( 0.000 -2.147 0.539) 2.214 11.790 ( 0.000 1.919 6.153) 6.445 12.186 ( 0.000 -1.764 2.460) 3.027 12.435 ( 0.000 2.010 2.708) 3.372 12.756 ( 0.000 3.660 0.467) 3.690 13.005 ( 0.000 -2.899 -5.365) 6.098 13.111 ( 0.000 -0.143 -4.881) 4.883 22.363 ( 0.000 0.758 2.463) 2.577 22.676 ( 0.000 2.776 1.217) 3.032 22.799 ( 0.000 -1.478 -3.967) 4.233 22.799 ( 0.000 -1.608 0.619) 1.723 23.056 ( 0.000 1.523 3.067) 3.424 23.423 ( 0.000 1.479 3.483) 3.784 23.542 ( 0.000 0.223 9.543) 9.546 24.240 ( 0.000 -2.459 -9.872) 10.173 ======================= Grid point 148 (54/100) ======================= q-point: ( 0.14 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 4.158 8.640 8.993) 13.146 1.744 ( 9.859 8.301 13.491) 18.658 2.191 ( 1.106 -12.670 -3.230) 13.122 2.632 ( 13.820 -7.073 8.605) 17.750 2.833 ( -4.779 7.675 -7.450) 11.715 2.953 ( 0.712 3.081 -5.874) 6.671 3.204 ( -0.458 -0.185 -2.980) 3.021 3.403 ( 7.877 -0.227 -5.375) 9.539 3.603 ( 5.689 -3.440 -11.046) 12.892 3.984 ( 4.467 3.855 -3.464) 6.842 4.186 ( 8.604 -4.887 -10.643) 14.532 4.558 ( 5.350 18.081 -12.492) 22.619 5.102 ( -1.973 -0.138 -14.150) 14.288 5.260 ( 3.172 1.539 -10.955) 11.508 5.429 ( 5.782 0.755 -5.154) 7.783 5.501 ( 8.220 -4.159 -8.334) 12.423 5.981 ( -5.473 -1.476 -12.369) 13.606 6.153 ( -12.383 -7.523 2.046) 14.633 6.363 ( -9.453 -3.103 -2.361) 10.225 6.423 ( -1.393 -12.971 -10.195) 16.557 6.965 ( 5.552 0.079 10.360) 11.754 7.257 ( -1.527 -8.330 10.006) 13.109 7.514 ( -3.059 -3.598 0.379) 4.738 7.662 ( -5.765 8.066 9.332) 13.615 7.793 ( -4.687 0.903 1.247) 4.933 7.910 ( -2.966 0.313 3.669) 4.728 8.049 ( 2.294 2.024 3.565) 4.698 8.192 ( 0.044 2.039 1.975) 2.839 8.337 ( 4.041 1.117 7.689) 8.758 8.378 ( 2.188 -0.396 7.465) 7.789 10.435 ( -1.861 4.358 5.034) 6.914 10.556 ( -3.360 -1.108 4.176) 5.473 11.030 ( 1.508 1.102 -0.028) 1.868 11.096 ( 1.464 -1.319 -0.214) 1.982 11.850 ( 5.441 2.044 6.655) 8.836 12.141 ( -4.005 -0.680 2.185) 4.613 12.362 ( -5.866 1.166 3.633) 6.997 12.715 ( -3.917 2.313 1.530) 4.800 13.026 ( 2.414 -1.084 -5.401) 6.014 13.174 ( 4.511 -1.223 -4.878) 6.756 22.372 ( 0.827 -0.170 2.819) 2.943 22.634 ( -2.957 1.465 2.365) 4.060 22.769 ( 0.601 1.564 -0.759) 1.840 22.907 ( 4.308 -3.346 -1.326) 5.614 23.097 ( 5.061 2.100 0.640) 5.516 23.426 ( 0.349 1.411 3.598) 3.880 23.528 ( -1.305 0.128 9.111) 9.205 24.184 ( -5.315 -2.065 -9.637) 11.198 ======================= Grid point 149 (55/100) ======================= q-point: ( 0.29 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 8.997 6.675 0.802) 11.231 1.952 ( 9.837 11.248 12.420) 19.430 2.220 ( 1.177 -4.827 -0.480) 4.991 2.654 ( -9.782 6.804 -7.758) 14.218 2.782 ( -0.443 -0.843 -5.554) 5.635 3.086 ( -6.014 -3.943 -0.443) 7.205 3.209 ( 16.219 -6.757 5.706) 18.473 3.603 ( 10.506 2.670 -4.689) 11.810 3.757 ( 8.988 0.054 -3.716) 9.726 4.143 ( 10.279 -0.598 -8.083) 13.090 4.471 ( 16.391 -0.950 -14.197) 21.705 4.646 ( 4.685 15.074 -15.914) 22.415 5.100 ( 0.521 -4.106 -18.807) 19.257 5.314 ( 2.304 0.030 -9.692) 9.962 5.581 ( 6.804 1.014 -4.618) 8.286 5.665 ( 2.828 -2.728 1.150) 4.095 5.840 ( -1.993 -0.034 -8.684) 8.910 5.956 ( -7.595 -7.319 0.642) 10.567 6.138 ( -9.522 -2.935 -5.466) 11.365 6.384 ( -1.658 -13.606 -8.579) 16.170 6.977 ( -6.251 2.337 9.551) 11.652 7.167 ( -7.555 -0.290 8.061) 11.052 7.417 ( -5.485 2.775 4.429) 7.576 7.554 ( -3.323 -1.846 3.602) 5.237 7.710 ( -2.906 -1.096 3.911) 4.994 7.820 ( -5.010 -0.417 5.231) 7.255 8.120 ( 3.974 1.819 3.000) 5.301 8.211 ( 1.235 2.157 1.793) 3.065 8.407 ( 2.640 0.161 7.924) 8.353 8.427 ( 2.333 -0.249 8.063) 8.397 10.392 ( -2.070 3.510 4.247) 5.886 10.484 ( -3.281 -0.758 3.664) 4.977 11.042 ( 0.362 1.111 -3.498) 3.688 11.162 ( 3.778 -1.397 -2.327) 4.652 11.974 ( 4.602 3.133 6.497) 8.556 12.058 ( -2.195 0.541 3.837) 4.454 12.250 ( -3.993 -0.387 4.391) 5.947 12.608 ( -6.356 0.903 3.865) 7.493 13.089 ( 3.245 0.117 -5.271) 6.191 13.248 ( 2.368 -2.129 -4.567) 5.568 22.397 ( 1.781 -0.741 3.572) 4.060 22.579 ( -2.546 0.796 4.412) 5.156 22.793 ( 1.457 2.431 -0.385) 2.860 22.943 ( 0.006 -3.612 1.668) 3.978 23.266 ( 9.893 3.061 -4.328) 11.224 23.442 ( 1.426 1.461 3.218) 3.811 23.498 ( -1.114 -0.926 8.187) 8.315 24.034 ( -9.135 -1.489 -8.861) 12.813 ======================= Grid point 150 (56/100) ======================= q-point: ( 0.43 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 7.938 6.713 -1.897) 10.568 2.097 ( 1.453 6.503 2.802) 7.228 2.267 ( 6.276 8.155 2.591) 10.612 2.458 ( -9.622 6.446 -4.327) 12.363 2.729 ( -2.665 -0.662 -3.760) 4.656 2.938 ( -5.092 -2.576 -1.166) 5.824 3.474 ( 6.152 -8.170 0.732) 10.253 3.841 ( 10.292 -9.939 4.027) 14.863 3.915 ( 6.030 6.601 -6.947) 11.322 4.249 ( -1.897 -1.207 -1.132) 2.517 4.711 ( 10.598 10.527 -23.415) 27.774 4.884 ( 8.927 7.491 -24.180) 26.841 5.074 ( 2.254 -6.186 -12.952) 14.530 5.301 ( -6.901 -5.853 -8.830) 12.643 5.563 ( -1.333 -1.900 -1.237) 2.630 5.658 ( -7.547 -8.018 0.237) 11.013 5.783 ( 2.328 1.431 -8.666) 9.087 5.919 ( -1.976 -1.238 -12.825) 13.036 6.191 ( 12.891 -0.086 6.016) 14.226 6.374 ( -0.736 -7.151 3.994) 8.223 6.792 ( -6.899 0.606 2.068) 7.227 6.917 ( -13.737 1.793 3.927) 14.399 7.403 ( 2.973 1.167 5.693) 6.528 7.490 ( -3.631 -1.560 4.089) 5.687 7.670 ( -1.085 -0.029 5.578) 5.683 7.742 ( -2.047 -2.082 6.888) 7.481 8.188 ( 2.326 1.773 2.788) 4.041 8.225 ( -0.079 1.418 1.323) 1.941 8.445 ( 1.044 -0.096 8.872) 8.933 8.461 ( 0.800 -0.371 7.779) 7.829 10.363 ( -0.696 2.611 3.272) 4.244 10.435 ( -1.327 -0.445 3.483) 3.754 11.053 ( 0.466 2.839 -5.270) 6.004 11.219 ( 1.516 -3.548 -5.719) 6.899 11.967 ( -1.369 3.863 5.280) 6.684 12.078 ( 0.046 -0.130 5.888) 5.890 12.259 ( 4.569 1.373 5.011) 6.919 12.471 ( -6.305 -0.800 6.627) 9.182 13.143 ( 1.660 0.937 -5.562) 5.880 13.271 ( 0.229 -3.025 -3.847) 4.899 22.443 ( 2.433 0.352 4.197) 4.864 22.525 ( -2.616 -0.141 5.411) 6.011 22.821 ( 0.973 1.645 -0.029) 1.911 22.933 ( -0.606 -3.360 2.737) 4.376 23.404 ( 2.964 3.896 1.220) 5.045 23.444 ( -1.475 2.927 4.079) 5.233 23.585 ( 9.964 -2.532 -2.486) 10.577 23.826 ( -10.906 -1.755 -7.034) 13.095 ======================= Grid point 154 (57/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 0.000 0.000 14.334) 14.334 1.765 ( 0.000 0.000 -13.361) 13.361 1.964 ( 0.000 0.000 16.147) 16.147 2.325 ( 0.000 0.000 11.245) 11.245 3.044 ( 0.000 -0.000 -2.269) 2.269 3.098 ( 0.000 -0.000 12.529) 12.529 3.126 ( 0.000 0.000 -11.736) 11.736 3.260 ( 0.000 0.000 -24.622) 24.622 3.493 ( 0.000 -0.000 -15.895) 15.895 3.813 ( 0.000 0.000 -11.330) 11.330 4.160 ( 0.000 -0.000 12.077) 12.077 4.785 ( 0.000 0.000 -16.504) 16.504 5.237 ( 0.000 0.000 -13.596) 13.596 5.258 ( 0.000 -0.000 -17.285) 17.285 5.269 ( 0.000 0.000 -3.810) 3.810 5.411 ( 0.000 0.000 -2.509) 2.509 6.044 ( 0.000 -0.000 -15.366) 15.366 6.071 ( 0.000 0.000 -12.034) 12.034 6.378 ( 0.000 0.000 1.578) 1.578 6.467 ( 0.000 0.000 -1.102) 1.102 6.859 ( 0.000 0.000 6.791) 6.791 7.066 ( 0.000 -0.000 11.700) 11.700 7.510 ( 0.000 0.000 -0.106) 0.106 7.869 ( 0.000 0.000 -0.420) 0.420 7.870 ( 0.000 0.000 13.032) 13.032 7.941 ( 0.000 0.000 2.012) 2.012 8.029 ( 0.000 0.000 6.276) 6.276 8.224 ( 0.000 0.000 1.413) 1.413 8.324 ( 0.000 0.000 2.351) 2.351 8.328 ( 0.000 -0.000 9.936) 9.936 10.533 ( 0.000 0.000 6.906) 6.906 10.554 ( 0.000 -0.000 4.689) 4.689 11.043 ( 0.000 -0.000 0.973) 0.973 11.048 ( 0.000 0.000 1.656) 1.656 11.816 ( 0.000 0.000 6.712) 6.712 12.165 ( 0.000 0.000 2.123) 2.123 12.459 ( 0.000 0.000 2.180) 2.180 12.796 ( 0.000 0.000 0.970) 0.970 12.972 ( 0.000 0.000 -5.303) 5.303 13.108 ( 0.000 0.000 -5.591) 5.591 22.371 ( 0.000 0.000 2.310) 2.310 22.715 ( 0.000 0.000 0.691) 0.691 22.773 ( 0.000 0.000 0.969) 0.969 22.783 ( 0.000 0.000 -3.747) 3.747 23.074 ( 0.000 0.000 3.495) 3.495 23.434 ( 0.000 0.000 4.009) 4.009 23.548 ( 0.000 0.000 10.508) 10.508 24.214 ( 0.000 0.000 -11.208) 11.208 ======================= Grid point 156 (58/100) ======================= q-point: ( 0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 1.577 0.000 -14.361) 14.447 1.835 ( 11.518 0.000 14.165) 18.256 2.025 ( 5.855 -0.000 15.240) 16.326 2.520 ( 16.658 0.000 9.602) 19.227 2.958 ( -8.018 0.000 -5.405) 9.670 2.965 ( -7.993 -0.000 -6.136) 10.076 3.202 ( 6.570 0.000 -3.381) 7.389 3.460 ( 11.421 0.000 -9.371) 14.773 3.531 ( 4.019 -0.000 -9.727) 10.525 3.833 ( 4.355 0.000 -8.306) 9.378 4.265 ( 10.242 -0.000 -0.099) 10.242 4.828 ( 2.776 0.000 -15.248) 15.499 5.100 ( -4.919 0.000 -15.011) 15.796 5.299 ( 2.300 0.000 -13.748) 13.939 5.452 ( 9.954 -0.000 -4.199) 10.804 5.453 ( 5.505 0.000 -3.026) 6.282 5.977 ( -7.180 -0.000 -9.861) 12.198 6.017 ( -5.049 0.000 -7.930) 9.400 6.226 ( -9.061 0.000 -4.753) 10.232 6.370 ( -8.442 0.000 -4.757) 9.690 7.013 ( 9.964 0.000 7.936) 12.738 7.084 ( 0.643 -0.000 12.410) 12.427 7.484 ( -2.850 0.000 -0.590) 2.910 7.766 ( -8.392 -0.000 10.688) 13.589 7.791 ( -5.746 0.000 1.503) 5.939 7.927 ( -3.378 0.000 1.820) 3.837 8.065 ( 3.022 0.000 4.954) 5.803 8.211 ( 0.157 0.000 2.755) 2.760 8.362 ( 2.658 0.000 3.653) 4.518 8.364 ( 2.879 -0.000 9.475) 9.903 10.503 ( -2.502 0.000 6.235) 6.718 10.523 ( -2.803 -0.000 4.450) 5.259 11.042 ( -0.249 0.000 -0.391) 0.464 11.083 ( 3.307 0.000 0.347) 3.325 11.876 ( 5.558 0.000 7.533) 9.361 12.131 ( -3.030 0.000 1.738) 3.493 12.376 ( -6.759 0.000 3.010) 7.399 12.737 ( -4.934 0.000 1.604) 5.188 13.019 ( 3.665 0.000 -4.658) 5.927 13.158 ( 3.793 -0.000 -5.560) 6.731 22.370 ( 0.143 0.000 2.942) 2.945 22.650 ( -3.442 -0.000 2.370) 4.179 22.796 ( 1.964 0.000 1.197) 2.300 22.860 ( 3.471 0.000 -3.026) 4.605 23.121 ( 5.436 0.000 1.012) 5.530 23.435 ( 0.141 0.000 4.241) 4.243 23.534 ( -1.288 0.000 9.950) 10.033 24.163 ( -4.958 0.000 -11.194) 12.243 ======================= Grid point 158 (59/100) ======================= q-point: ( 0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 7.117 0.000 -16.104) 17.607 2.075 ( 10.410 0.000 10.191) 14.568 2.184 ( 8.735 -0.000 13.495) 16.075 2.735 ( -6.124 -0.000 -6.901) 9.227 2.811 ( -6.103 0.000 -12.176) 13.620 2.915 ( 9.026 0.000 9.530) 13.126 3.244 ( 0.835 0.000 9.074) 9.113 3.577 ( 1.213 -0.000 -4.247) 4.417 3.737 ( 15.046 0.000 -9.325) 17.702 4.075 ( 16.403 -0.000 -2.648) 16.616 4.541 ( 15.528 -0.000 -16.865) 22.925 4.823 ( -2.343 0.000 -7.582) 7.936 5.094 ( 2.885 0.000 -30.484) 30.620 5.313 ( -0.730 0.000 -12.053) 12.075 5.602 ( 1.015 0.000 4.555) 4.667 5.617 ( 5.975 -0.000 -2.501) 6.477 5.813 ( -3.755 0.000 -9.051) 9.799 5.899 ( -3.858 0.000 2.997) 4.885 6.128 ( -0.064 0.000 -8.920) 8.920 6.192 ( -6.618 0.000 -10.687) 12.570 7.027 ( -7.664 0.000 10.429) 12.942 7.126 ( -1.528 0.000 10.784) 10.891 7.415 ( -2.274 0.000 0.040) 2.274 7.568 ( -9.188 -0.000 5.755) 10.842 7.700 ( -2.733 0.000 4.119) 4.944 7.821 ( -5.844 0.000 3.592) 6.859 8.136 ( 3.675 -0.000 4.034) 5.457 8.232 ( 1.167 0.000 2.962) 3.184 8.414 ( 2.289 0.000 5.994) 6.416 8.421 ( 2.381 -0.000 8.836) 9.151 10.449 ( -2.503 0.000 5.004) 5.595 10.457 ( -3.181 -0.000 3.778) 4.939 11.055 ( 1.736 0.000 -4.422) 4.751 11.146 ( 2.270 -0.000 -2.268) 3.209 12.013 ( 6.664 0.000 8.743) 10.993 12.063 ( -3.057 0.000 2.149) 3.737 12.245 ( -4.610 0.000 4.518) 6.455 12.614 ( -7.039 0.000 3.904) 8.049 13.098 ( 3.918 0.000 -4.262) 5.789 13.219 ( 1.680 -0.000 -5.300) 5.560 22.390 ( 1.941 0.000 4.276) 4.696 22.589 ( -2.881 -0.000 4.900) 5.685 22.836 ( 1.656 0.000 1.688) 2.365 22.885 ( -0.324 -0.000 -0.275) 0.425 23.302 ( 11.513 0.000 -4.412) 12.330 23.440 ( 0.371 0.000 4.940) 4.954 23.502 ( -1.597 0.000 8.406) 8.557 24.019 ( -8.927 0.000 -10.967) 14.141 ======================= Grid point 160 (60/100) ======================= q-point: ( 0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 9.412 0.000 -14.035) 16.899 2.177 ( -2.129 -0.000 -1.112) 2.402 2.369 ( 9.887 0.000 2.587) 10.220 2.563 ( -9.051 -0.000 -4.569) 10.139 2.757 ( 2.183 0.000 0.556) 2.253 2.884 ( -8.174 0.000 12.362) 14.820 3.416 ( 10.928 0.000 5.179) 12.093 3.560 ( -3.256 -0.000 -0.549) 3.302 4.047 ( 14.189 0.000 -5.440) 15.196 4.253 ( -3.013 -0.000 -0.663) 3.085 4.849 ( 13.825 -0.000 -23.810) 27.532 4.904 ( 12.448 0.000 -4.387) 13.199 5.087 ( -5.018 -0.000 -35.613) 35.965 5.224 ( -10.493 0.000 -12.946) 16.664 5.528 ( -2.704 0.000 0.496) 2.749 5.551 ( -5.484 0.000 -0.802) 5.542 5.834 ( 2.082 0.000 -13.870) 14.026 5.886 ( -2.395 -0.000 -12.222) 12.454 6.239 ( 8.799 -0.000 3.674) 9.535 6.245 ( 9.725 0.000 8.369) 12.830 6.818 ( -8.413 0.000 3.822) 9.240 6.917 ( -14.909 0.000 8.479) 17.151 7.419 ( 1.882 0.000 3.444) 3.925 7.463 ( -2.410 -0.000 3.957) 4.633 7.677 ( 0.397 0.000 5.752) 5.766 7.719 ( -3.776 0.000 5.679) 6.820 8.203 ( 2.658 -0.000 3.433) 4.342 8.238 ( -0.713 0.000 2.963) 3.048 8.449 ( 1.063 0.000 7.544) 7.618 8.453 ( 0.707 -0.000 8.291) 8.322 10.411 ( -1.142 0.000 3.397) 3.584 10.411 ( -1.067 -0.000 3.912) 4.055 11.108 ( 3.044 0.000 -7.056) 7.685 11.157 ( -1.277 -0.000 -5.981) 6.116 12.029 ( 0.004 0.000 4.533) 4.533 12.057 ( -1.901 -0.000 6.892) 7.150 12.280 ( 7.549 0.000 6.927) 10.245 12.454 ( -8.570 0.000 6.259) 10.612 13.172 ( 3.218 0.000 -4.371) 5.428 13.221 ( -1.374 -0.000 -4.807) 4.999 22.448 ( 3.577 0.000 5.506) 6.566 22.523 ( -3.608 -0.000 5.973) 6.978 22.860 ( 0.736 0.000 1.795) 1.940 22.872 ( -0.657 -0.000 1.127) 1.305 23.451 ( 0.719 -0.000 6.077) 6.119 23.469 ( -0.938 0.000 7.712) 7.769 23.559 ( 12.519 0.000 -8.605) 15.191 23.809 ( -11.592 0.000 -10.164) 15.417 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 0.000 16.676) 16.676 1.569 ( 0.000 0.000 21.450) 21.450 1.884 ( 0.000 0.000 -10.214) 10.214 2.276 ( 0.000 0.000 -15.922) 15.922 2.649 ( 0.000 0.000 -23.068) 23.068 2.820 ( 0.000 0.000 -6.019) 6.019 2.842 ( 0.000 0.000 30.270) 30.270 3.238 ( 0.000 0.000 -24.067) 24.067 3.296 ( 0.000 0.000 -29.749) 29.749 3.377 ( 0.000 0.000 1.460) 1.460 3.848 ( 0.000 0.000 1.050) 1.050 4.543 ( 0.000 0.000 -17.763) 17.763 5.126 ( 0.000 0.000 3.505) 3.505 5.641 ( 0.000 0.000 -4.642) 4.642 5.686 ( 0.000 0.000 1.408) 1.408 5.817 ( 0.000 0.000 -0.399) 0.399 6.012 ( 0.000 0.000 -8.277) 8.277 6.183 ( 0.000 0.000 2.885) 2.885 6.437 ( 0.000 0.000 -4.430) 4.430 6.625 ( 0.000 0.000 -16.785) 16.785 7.170 ( 0.000 0.000 8.199) 8.199 7.412 ( 0.000 0.000 16.807) 16.807 7.484 ( 0.000 0.000 -2.770) 2.770 7.709 ( 0.000 0.000 0.875) 0.875 7.750 ( 0.000 0.000 0.214) 0.214 7.933 ( 0.000 0.000 3.204) 3.204 8.006 ( 0.000 0.000 4.299) 4.299 8.233 ( 0.000 0.000 -0.024) 0.024 8.508 ( 0.000 0.000 7.813) 7.813 8.546 ( 0.000 0.000 9.556) 9.556 10.308 ( 0.000 0.000 2.642) 2.642 10.462 ( 0.000 0.000 -2.226) 2.226 10.976 ( 0.000 0.000 1.835) 1.835 11.119 ( 0.000 0.000 -2.474) 2.474 12.023 ( 0.000 0.000 3.247) 3.247 12.249 ( 0.000 0.000 -3.995) 3.995 12.483 ( 0.000 0.000 8.104) 8.104 12.567 ( 0.000 0.000 8.436) 8.436 12.984 ( 0.000 0.000 -4.094) 4.094 13.019 ( 0.000 0.000 -7.865) 7.865 22.402 ( 0.000 0.000 4.726) 4.726 22.622 ( 0.000 0.000 2.406) 2.406 22.768 ( 0.000 0.000 -6.394) 6.394 22.799 ( 0.000 0.000 -2.726) 2.726 23.067 ( 0.000 0.000 0.045) 0.045 23.074 ( 0.000 0.000 -0.462) 0.462 23.787 ( 0.000 0.000 10.581) 10.581 24.351 ( 0.000 0.000 -6.866) 6.866 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 10.267 0.000 14.296) 17.601 1.723 ( 9.979 0.000 19.668) 22.055 2.048 ( 12.517 0.000 -9.406) 15.657 2.265 ( 0.134 0.000 -16.057) 16.058 2.555 ( -4.531 0.000 -18.899) 19.435 2.880 ( 5.218 0.000 24.498) 25.047 2.898 ( 2.030 0.000 -10.849) 11.037 3.134 ( -5.645 0.000 -14.891) 15.925 3.408 ( 7.560 0.000 1.984) 7.816 3.467 ( 11.456 0.000 -33.236) 35.155 4.038 ( 15.400 0.000 0.956) 15.429 4.524 ( -3.026 0.000 -11.979) 12.355 5.079 ( -0.876 0.000 -2.815) 2.948 5.404 ( -13.942 0.000 -4.228) 14.569 5.675 ( -8.519 0.000 -0.651) 8.544 5.911 ( -2.196 0.000 -1.010) 2.417 5.925 ( 7.200 0.000 2.057) 7.489 6.383 ( 1.040 0.000 -8.263) 8.328 6.396 ( 9.376 0.000 -3.568) 10.032 6.735 ( 6.549 0.000 -11.031) 12.829 7.078 ( -8.042 0.000 8.337) 11.583 7.426 ( -4.806 0.000 -2.475) 5.406 7.427 ( 0.747 0.000 14.713) 14.732 7.701 ( -1.164 0.000 0.412) 1.234 7.717 ( -2.905 0.000 0.371) 2.929 7.895 ( -4.342 0.000 2.320) 4.922 8.000 ( -0.442 0.000 3.520) 3.547 8.137 ( -7.423 0.000 3.193) 8.081 8.531 ( 2.177 0.000 7.878) 8.173 8.582 ( 2.833 0.000 8.156) 8.634 10.310 ( 0.312 0.000 2.609) 2.627 10.453 ( -0.883 0.000 -1.857) 2.057 11.013 ( 3.469 0.000 2.171) 4.092 11.159 ( 3.516 0.000 -2.407) 4.261 12.024 ( 0.100 0.000 2.915) 2.917 12.161 ( -6.842 0.000 2.317) 7.224 12.455 ( -2.572 0.000 3.162) 4.076 12.509 ( -4.978 0.000 6.795) 8.423 13.053 ( 5.284 0.000 -4.700) 7.072 13.062 ( 3.586 0.000 -6.485) 7.410 22.419 ( 1.471 0.000 2.809) 3.171 22.642 ( 1.794 0.000 2.503) 3.080 22.650 ( -5.806 0.000 -3.175) 6.618 22.899 ( 3.256 0.000 -5.622) 6.497 23.093 ( 2.386 0.000 -0.100) 2.388 23.094 ( 2.529 0.000 -0.419) 2.564 23.787 ( 0.227 0.000 10.100) 10.102 24.297 ( -4.975 0.000 -5.324) 7.287 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 17.720 0.000 9.181) 19.958 1.828 ( 1.713 0.000 20.768) 20.838 2.173 ( -2.431 0.000 -2.806) 3.712 2.300 ( 2.490 0.000 -15.925) 16.119 2.522 ( -1.462 0.000 -18.357) 18.415 2.869 ( -10.841 0.000 -11.705) 15.954 2.977 ( 10.685 0.000 -14.324) 17.870 3.231 ( 16.387 0.000 17.113) 23.694 3.680 ( 15.686 0.000 0.092) 15.686 3.690 ( 9.798 0.000 -31.774) 33.250 4.348 ( 11.662 0.000 -0.863) 11.694 4.424 ( -5.047 0.000 -7.198) 8.791 5.128 ( 2.647 0.000 -3.939) 4.746 5.219 ( -1.069 0.000 -0.748) 1.304 5.569 ( 3.141 0.000 -6.013) 6.784 5.691 ( -15.979 0.000 -6.407) 17.216 6.090 ( 3.068 0.000 6.334) 7.038 6.472 ( 3.041 0.000 -0.316) 3.058 6.486 ( 1.750 0.000 -2.761) 3.269 6.749 ( -8.516 0.000 -5.127) 9.940 6.974 ( 2.799 0.000 1.110) 3.011 7.322 ( -5.310 0.000 -1.865) 5.628 7.423 ( -1.130 0.000 11.081) 11.138 7.655 ( -2.569 0.000 0.255) 2.581 7.658 ( -3.121 0.000 0.050) 3.122 7.731 ( -10.341 0.000 1.714) 10.482 7.994 ( -0.153 0.000 2.635) 2.640 8.030 ( -2.571 0.000 4.905) 5.538 8.586 ( 2.882 0.000 7.803) 8.318 8.636 ( 2.086 0.000 7.145) 7.443 10.325 ( 1.171 0.000 2.176) 2.471 10.428 ( -1.545 0.000 -0.942) 1.810 11.104 ( 5.060 0.000 2.828) 5.797 11.232 ( 2.904 0.000 -1.284) 3.175 12.028 ( 0.333 0.000 2.325) 2.348 12.042 ( -3.925 0.000 6.638) 7.711 12.388 ( -3.722 0.000 -0.044) 3.722 12.396 ( -5.491 0.000 4.639) 7.189 13.138 ( 3.448 0.000 -5.143) 6.193 13.150 ( 3.768 0.000 -5.251) 6.463 22.451 ( 1.466 0.000 0.572) 1.574 22.553 ( -3.606 0.000 -1.664) 3.971 22.689 ( 2.778 0.000 1.406) 3.114 22.904 ( -2.120 0.000 -4.524) 4.996 23.152 ( 3.036 0.000 -0.318) 3.052 23.169 ( 3.714 0.000 -1.527) 4.015 23.811 ( 2.446 0.000 8.267) 8.621 24.169 ( -7.091 0.000 -2.186) 7.420 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 5.268 0.000 18.497) 19.233 2.028 ( -5.976 0.000 10.784) 12.329 2.150 ( 17.520 0.000 -2.631) 17.717 2.348 ( 1.786 0.000 -21.547) 21.621 2.451 ( -3.664 0.000 -13.664) 14.147 2.570 ( -16.841 0.000 0.342) 16.844 3.275 ( 14.459 0.000 -22.631) 26.856 3.445 ( 0.276 0.000 -14.597) 14.600 3.879 ( 7.833 0.000 -7.004) 10.507 3.918 ( 5.304 0.000 1.873) 5.625 4.391 ( 2.391 0.000 -2.585) 3.521 4.441 ( -0.575 0.000 -3.839) 3.882 5.142 ( 1.791 0.000 -11.044) 11.188 5.290 ( -8.544 0.000 -6.654) 10.829 5.494 ( 12.482 0.000 1.201) 12.540 5.773 ( 4.033 0.000 2.377) 4.682 5.985 ( -1.667 0.000 0.670) 1.796 6.299 ( -18.402 0.000 1.387) 18.454 6.574 ( 5.598 0.000 0.964) 5.680 6.644 ( -1.379 0.000 -0.480) 1.460 7.084 ( 5.844 0.000 -2.073) 6.201 7.202 ( -6.133 0.000 -0.062) 6.134 7.412 ( 1.450 0.000 6.832) 6.984 7.511 ( -7.939 0.000 3.281) 8.590 7.626 ( -0.411 0.000 -0.748) 0.854 7.634 ( -1.259 0.000 -1.742) 2.149 7.994 ( 0.203 0.000 2.812) 2.819 8.002 ( -0.663 0.000 3.773) 3.830 8.637 ( 1.957 0.000 7.399) 7.653 8.658 ( 0.013 0.000 7.022) 7.022 10.355 ( 1.751 0.000 1.285) 2.172 10.393 ( -1.855 0.000 0.183) 1.864 11.202 ( 4.101 0.000 2.832) 4.984 11.255 ( -0.862 0.000 1.181) 1.462 12.011 ( 0.488 0.000 5.603) 5.625 12.029 ( -0.552 0.000 3.019) 3.069 12.312 ( -2.071 0.000 2.434) 3.196 12.320 ( -2.445 0.000 0.141) 2.449 13.191 ( 1.597 0.000 -4.847) 5.103 13.198 ( 0.940 0.000 -5.085) 5.172 22.476 ( 1.017 0.000 -0.011) 1.017 22.501 ( -1.702 0.000 -0.549) 1.788 22.756 ( 3.830 0.000 -0.942) 3.944 22.838 ( -3.945 0.000 -2.976) 4.941 23.203 ( 1.767 0.000 -0.608) 1.869 23.216 ( 0.732 0.000 -1.262) 1.459 23.893 ( 5.507 0.000 4.865) 7.348 24.023 ( -7.050 0.000 1.186) 7.149 ======================= Grid point 196 (65/100) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.000 4.620 18.205) 18.782 1.619 ( 0.000 18.703 11.173) 21.786 1.984 ( 0.000 9.091 -9.298) 13.004 2.397 ( 0.000 6.164 -11.203) 12.787 2.694 ( 0.000 7.378 -10.405) 12.755 2.820 ( 0.000 0.045 -5.414) 5.414 2.909 ( 0.000 8.323 15.645) 17.721 3.098 ( 0.000 -4.907 -8.847) 10.116 3.257 ( 0.000 -3.859 -26.722) 26.999 3.587 ( 0.000 13.710 -8.252) 16.002 3.739 ( 0.000 -10.375 0.505) 10.388 4.470 ( 0.000 -7.384 -19.061) 20.441 5.073 ( 0.000 -4.774 2.785) 5.527 5.448 ( 0.000 -16.928 2.719) 17.145 5.468 ( 0.000 -11.492 -4.128) 12.211 5.669 ( 0.000 -12.066 -2.547) 12.332 6.071 ( 0.000 0.923 -9.977) 10.019 6.274 ( 0.000 5.501 2.205) 5.926 6.467 ( 0.000 1.241 -3.694) 3.897 6.566 ( 0.000 -5.906 -18.043) 18.986 7.311 ( 0.000 12.829 8.659) 15.478 7.357 ( 0.000 -4.705 14.585) 15.325 7.625 ( 0.000 -3.500 1.815) 3.943 7.626 ( 0.000 11.793 -2.803) 12.122 7.728 ( 0.000 -2.986 4.691) 5.560 7.959 ( 0.000 -0.979 2.540) 2.722 8.045 ( 0.000 2.860 0.886) 2.994 8.213 ( 0.000 -1.873 0.965) 2.107 8.491 ( 0.000 -1.377 8.366) 8.478 8.548 ( 0.000 0.040 8.922) 8.922 10.339 ( 0.000 3.171 3.154) 4.472 10.509 ( 0.000 4.087 -2.158) 4.622 10.984 ( 0.000 0.740 1.882) 2.022 11.118 ( 0.000 -0.059 -2.135) 2.135 11.964 ( 0.000 -4.174 5.256) 6.712 12.251 ( 0.000 -0.090 -3.171) 3.172 12.484 ( 0.000 0.142 7.564) 7.565 12.609 ( 0.000 3.579 6.737) 7.629 12.998 ( 0.000 -1.916 -7.718) 7.952 13.003 ( 0.000 1.409 -4.320) 4.544 22.405 ( 0.000 0.297 4.560) 4.569 22.633 ( 0.000 1.110 2.710) 2.929 22.759 ( 0.000 -0.896 -6.169) 6.234 22.808 ( 0.000 0.660 -2.122) 2.223 23.044 ( 0.000 0.285 1.559) 1.585 23.176 ( 0.000 6.875 -2.489) 7.311 23.770 ( 0.000 -1.496 10.262) 10.371 24.301 ( 0.000 -4.507 -6.311) 7.755 ======================= Grid point 197 (66/100) ======================= q-point: ( 0.14 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 4.973 9.819 12.598) 16.728 1.806 ( 9.191 8.148 16.294) 20.405 2.093 ( 7.092 5.765 -7.900) 12.081 2.404 ( 3.060 6.067 -12.195) 13.960 2.605 ( -6.260 7.445 -16.301) 18.982 2.856 ( -1.047 -0.708 -6.948) 7.062 2.939 ( 6.221 5.538 15.422) 17.528 3.129 ( 4.692 1.630 -6.783) 8.407 3.421 ( 12.148 -0.460 -18.113) 21.814 3.559 ( 2.268 8.824 -14.197) 16.869 3.908 ( 11.851 -11.463 1.615) 16.566 4.464 ( -0.501 -5.771 -14.778) 15.873 5.020 ( -2.559 -4.904 -2.027) 5.891 5.330 ( -3.931 -4.972 -5.028) 8.090 5.566 ( 5.355 -13.417 3.402) 14.842 5.824 ( -7.928 -0.451 -4.088) 8.931 5.883 ( 6.381 -9.793 -2.536) 11.960 6.275 ( -7.459 -1.706 -7.574) 10.766 6.452 ( 4.947 -1.427 -3.258) 6.093 6.684 ( 5.189 -5.547 -10.970) 13.343 7.188 ( -9.746 8.465 9.895) 16.265 7.383 ( 0.632 -1.472 11.847) 11.955 7.499 ( -7.586 2.378 0.852) 7.995 7.642 ( -1.231 0.791 -0.581) 1.575 7.777 ( 2.926 4.169 1.566) 5.328 7.936 ( -3.126 -0.102 2.137) 3.787 8.009 ( -2.563 1.428 1.963) 3.530 8.152 ( -4.549 0.915 2.900) 5.472 8.521 ( 2.551 -0.916 7.903) 8.355 8.579 ( 2.583 -0.311 8.047) 8.457 10.334 ( -0.287 2.651 3.167) 4.140 10.495 ( -1.316 3.546 -1.718) 4.154 11.014 ( 2.666 0.142 2.044) 3.362 11.146 ( 2.533 -1.187 -1.998) 3.438 11.972 ( 0.752 -3.141 4.883) 5.854 12.179 ( -5.544 0.812 0.826) 5.663 12.442 ( -3.919 -0.273 5.404) 6.681 12.575 ( -2.997 4.800 4.334) 7.128 13.011 ( 2.830 -2.604 -5.423) 6.649 13.088 ( 5.220 1.059 -5.676) 7.783 22.425 ( 1.554 0.445 2.986) 3.396 22.635 ( -1.656 0.098 1.126) 2.005 22.672 ( -1.757 1.381 -1.277) 2.574 22.920 ( 5.299 1.475 -5.078) 7.486 23.059 ( 1.679 -0.827 1.416) 2.347 23.184 ( 0.902 6.102 -2.396) 6.618 23.767 ( -0.116 -1.808 9.852) 10.017 24.249 ( -4.805 -4.339 -5.022) 8.194 ======================= Grid point 198 (67/100) ======================= q-point: ( 0.29 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 7.957 2.570 10.986) 13.806 1.938 ( 6.697 7.043 15.205) 18.045 2.154 ( -0.842 1.553 -2.892) 3.389 2.430 ( -5.071 6.075 -11.500) 13.959 2.523 ( -0.779 1.247 -13.075) 13.158 2.844 ( -1.288 4.642 -8.712) 9.955 3.094 ( 7.355 7.124 -13.253) 16.748 3.304 ( 13.885 6.577 11.236) 19.035 3.637 ( 8.403 -1.566 -8.950) 12.376 3.749 ( 13.023 3.499 -23.045) 26.700 4.126 ( 9.470 -14.153 0.793) 17.048 4.472 ( 1.588 -0.552 -10.341) 10.476 5.040 ( 6.058 -3.080 -1.514) 6.962 5.381 ( 4.231 7.275 -4.321) 9.461 5.510 ( -5.446 -5.140 -3.040) 8.082 5.662 ( -5.343 -2.127 -5.732) 8.120 6.015 ( 0.611 -6.846 1.602) 7.058 6.242 ( 5.217 -15.065 -4.355) 16.527 6.478 ( -1.939 -5.403 0.296) 5.747 6.703 ( -4.892 -5.146 -6.908) 9.906 6.973 ( -8.471 2.266 5.955) 10.600 7.294 ( -10.186 -3.317 4.294) 11.541 7.418 ( 0.898 0.381 6.276) 6.351 7.603 ( -2.632 1.369 -0.724) 3.054 7.804 ( -5.604 6.407 2.670) 8.921 7.824 ( -0.916 6.739 -1.149) 6.898 7.984 ( -0.258 0.005 4.289) 4.297 8.085 ( -1.787 3.679 2.818) 4.967 8.580 ( 2.984 -0.524 7.494) 8.083 8.630 ( 2.018 -0.567 7.060) 7.364 10.334 ( 0.329 1.372 2.865) 3.193 10.462 ( -1.774 2.675 -0.756) 3.298 11.073 ( 2.626 -2.592 2.548) 4.484 11.209 ( 3.339 -2.094 -1.675) 4.282 11.986 ( 0.090 -0.866 4.616) 4.698 12.090 ( -1.992 1.910 3.539) 4.488 12.347 ( -4.712 -0.439 4.011) 6.204 12.502 ( -3.911 6.041 1.906) 7.444 13.079 ( 3.199 -3.511 -4.419) 6.488 13.182 ( 3.636 0.993 -5.712) 6.844 22.453 ( 1.001 0.286 1.289) 1.657 22.575 ( -2.402 1.889 -0.945) 3.199 22.698 ( 2.407 1.023 1.639) 3.087 22.965 ( -0.634 5.098 -3.999) 6.511 23.121 ( 3.695 -2.194 -0.665) 4.348 23.216 ( 2.048 3.841 -2.286) 4.917 23.780 ( 1.838 -2.734 8.260) 8.893 24.125 ( -6.972 -4.108 -2.215) 8.390 ======================= Grid point 199 (68/100) ======================= q-point: ( 0.43 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 6.157 1.795 15.496) 16.771 2.048 ( -5.494 -0.320 4.818) 7.314 2.163 ( 9.048 0.642 -4.924) 10.321 2.332 ( -3.618 -1.478 -11.971) 12.592 2.522 ( 2.506 8.045 -2.436) 8.771 2.686 ( -11.163 11.029 0.914) 15.719 3.307 ( 9.187 3.180 -18.770) 21.138 3.501 ( 3.499 4.779 -16.605) 17.630 3.770 ( 3.634 -7.535 -4.758) 9.624 3.907 ( 2.081 -0.713 -16.201) 16.350 4.364 ( 12.938 -1.703 3.664) 13.554 4.512 ( 0.902 4.003 -3.512) 5.401 5.169 ( 1.087 1.349 -8.850) 9.018 5.283 ( -9.165 -0.816 -6.670) 11.365 5.488 ( 9.489 -0.438 -0.145) 9.500 5.775 ( -0.419 -0.741 2.380) 2.528 5.952 ( 6.442 -3.636 -2.927) 7.955 6.293 ( -11.425 -6.624 -2.529) 13.447 6.405 ( 0.060 -10.866 1.603) 10.984 6.560 ( -2.814 -2.875 3.807) 5.539 6.925 ( 2.196 -11.688 -2.259) 12.105 7.084 ( -8.843 -8.161 1.235) 12.097 7.451 ( 1.901 2.083 5.604) 6.274 7.539 ( -3.129 3.005 2.918) 5.228 7.686 ( -3.214 6.405 3.025) 7.778 7.837 ( 0.461 10.683 -2.729) 11.035 7.984 ( 0.134 0.758 4.410) 4.477 8.066 ( -0.328 4.272 1.351) 4.493 8.632 ( 1.905 -0.507 7.053) 7.323 8.652 ( 0.052 -0.594 6.799) 6.825 10.345 ( 0.548 0.150 2.224) 2.295 10.430 ( -1.071 2.383 0.179) 2.619 11.109 ( 0.902 -5.894 2.984) 6.668 11.265 ( 1.684 -1.294 -1.404) 2.546 11.973 ( -0.636 -0.415 5.185) 5.240 12.092 ( 0.771 3.054 3.425) 4.653 12.278 ( -1.658 0.354 2.827) 3.297 12.432 ( -2.341 6.377 1.697) 7.002 13.126 ( 1.245 -3.743 -4.130) 5.711 13.231 ( 1.171 0.800 -5.550) 5.729 22.465 ( 0.277 0.172 1.122) 1.168 22.543 ( -0.800 2.761 0.007) 2.874 22.748 ( 1.953 0.517 0.050) 2.021 22.931 ( -1.664 6.951 -2.877) 7.704 23.176 ( 1.421 -1.505 -1.457) 2.531 23.250 ( 0.964 2.461 -2.067) 3.356 23.850 ( 4.895 -3.849 5.060) 8.023 23.981 ( -6.713 -3.868 1.044) 7.818 ======================= Grid point 203 (69/100) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 7.618 13.557) 15.550 1.833 ( 0.000 1.223 6.220) 6.339 2.224 ( 0.000 13.250 -9.879) 16.527 2.405 ( 0.000 -2.337 9.532) 9.814 2.822 ( 0.000 -0.245 -2.801) 2.811 2.862 ( 0.000 0.904 -7.120) 7.178 3.090 ( 0.000 12.446 -11.166) 16.720 3.129 ( 0.000 -8.426 -17.312) 19.253 3.383 ( 0.000 29.384 7.123) 30.235 3.463 ( 0.000 -14.388 -4.346) 15.030 3.915 ( 0.000 18.404 -5.289) 19.149 4.221 ( 0.000 -16.769 -19.798) 25.945 4.971 ( 0.000 -3.399 0.206) 3.405 5.145 ( 0.000 -10.399 1.389) 10.491 5.278 ( 0.000 -6.169 -6.805) 9.185 5.425 ( 0.000 -10.496 -4.481) 11.412 5.985 ( 0.000 -8.312 -9.773) 12.829 6.357 ( 0.000 2.555 1.228) 2.834 6.389 ( 0.000 -10.927 -18.731) 21.685 6.469 ( 0.000 -0.631 -2.283) 2.368 7.227 ( 0.000 -8.409 11.601) 14.328 7.576 ( 0.000 -2.497 -0.849) 2.637 7.627 ( 0.000 16.018 8.041) 17.924 7.652 ( 0.000 -4.548 7.231) 8.542 7.884 ( 0.000 11.684 -1.969) 11.849 7.905 ( 0.000 -4.300 2.640) 5.046 8.008 ( 0.000 -4.294 0.731) 4.355 8.212 ( 0.000 1.665 1.191) 2.047 8.459 ( 0.000 -1.637 8.700) 8.853 8.545 ( 0.000 -0.344 8.288) 8.295 10.437 ( 0.000 5.956 4.216) 7.297 10.604 ( 0.000 4.421 -0.571) 4.457 11.006 ( 0.000 1.343 1.944) 2.363 11.114 ( 0.000 -0.400 -1.176) 1.243 11.907 ( 0.000 -0.676 7.245) 7.277 12.242 ( 0.000 -0.790 -1.432) 1.635 12.491 ( 0.000 0.546 6.124) 6.149 12.694 ( 0.000 4.320 3.982) 5.875 12.945 ( 0.000 -3.084 -7.300) 7.925 13.023 ( 0.000 0.305 -4.482) 4.492 22.414 ( 0.000 0.496 4.131) 4.160 22.668 ( 0.000 2.131 2.828) 3.541 22.734 ( 0.000 -1.344 -5.600) 5.759 22.816 ( 0.000 -0.009 -1.128) 1.128 23.074 ( 0.000 2.371 3.058) 3.870 23.330 ( 0.000 7.268 -3.247) 7.960 23.735 ( 0.000 -1.580 9.368) 9.500 24.186 ( 0.000 -6.127 -5.905) 8.510 ======================= Grid point 204 (70/100) ======================= q-point: ( 0.14 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 1.374 4.244 4.611) 6.416 1.912 ( 5.762 2.035 15.808) 16.948 2.290 ( 2.028 10.059 -4.524) 11.215 2.441 ( 5.189 1.758 3.515) 6.509 2.718 ( -7.627 1.619 -8.481) 11.521 2.926 ( 4.523 3.213 -9.520) 11.019 3.084 ( 5.656 6.203 -6.029) 10.335 3.262 ( 8.258 2.619 -3.746) 9.439 3.486 ( 9.301 13.298 1.702) 16.317 3.603 ( 11.249 -7.532 -14.555) 19.878 3.840 ( -4.740 12.384 -2.971) 13.589 4.289 ( 5.282 -10.317 -17.513) 21.001 4.919 ( -1.230 -3.750 -2.051) 4.448 5.218 ( 1.830 -7.077 -4.582) 8.627 5.322 ( 9.276 -6.198 -1.238) 11.225 5.579 ( 11.207 -12.236 -2.820) 16.830 5.851 ( -10.808 -2.530 -7.627) 13.468 6.239 ( -10.010 -3.139 -10.741) 15.014 6.365 ( -1.567 -5.708 -0.079) 5.919 6.516 ( 1.062 -9.923 -8.247) 12.946 7.235 ( -0.625 -3.698 10.874) 11.503 7.455 ( -9.567 4.233 8.000) 13.170 7.542 ( -5.677 2.615 0.424) 6.265 7.672 ( -1.689 2.863 2.757) 4.318 7.870 ( -0.635 -2.709 2.229) 3.565 7.943 ( 2.393 5.987 0.189) 6.451 8.000 ( -0.282 -0.529 2.194) 2.274 8.180 ( -2.162 1.760 1.796) 3.316 8.499 ( 3.203 -1.135 7.619) 8.342 8.570 ( 2.151 -0.574 7.826) 8.137 10.421 ( -1.379 5.426 4.097) 6.937 10.575 ( -2.567 3.658 -0.167) 4.472 11.023 ( 0.928 0.707 1.527) 1.921 11.116 ( 0.727 -1.537 -1.100) 2.025 11.943 ( 3.240 0.678 6.276) 7.096 12.186 ( -4.350 -0.004 0.456) 4.374 12.444 ( -4.134 0.285 5.851) 7.170 12.676 ( -1.943 4.596 2.623) 5.637 12.952 ( 1.930 -2.857 -5.431) 6.433 13.096 ( 4.969 -0.382 -5.347) 7.309 22.434 ( 1.638 0.434 3.518) 3.905 22.651 ( -1.593 1.449 1.315) 2.523 22.702 ( -0.109 1.497 -0.934) 1.768 22.926 ( 7.473 -1.320 -3.703) 8.443 23.073 ( -0.117 2.348 2.687) 3.570 23.328 ( -0.145 7.147 -3.499) 7.959 23.723 ( -0.938 -2.033 9.104) 9.376 24.137 ( -4.579 -6.028 -5.022) 9.084 ======================= Grid point 205 (71/100) ======================= q-point: ( 0.29 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 3.614 -1.223 -1.498) 4.099 2.009 ( 3.522 4.375 16.416) 17.350 2.262 ( -3.395 4.688 0.781) 5.841 2.491 ( -4.593 5.340 3.139) 7.711 2.612 ( 1.360 5.133 -3.447) 6.331 3.033 ( 1.307 8.066 -9.280) 12.365 3.255 ( 10.085 8.043 -11.380) 17.201 3.450 ( 8.674 3.728 6.072) 11.225 3.643 ( 4.267 4.338 -11.423) 12.943 3.826 ( 8.941 -2.597 -20.573) 22.581 3.912 ( 15.088 3.607 -3.900) 15.996 4.410 ( 7.009 -5.239 -11.302) 14.294 4.978 ( 6.626 -4.238 -1.391) 7.988 5.296 ( 4.398 -9.433 -4.134) 11.199 5.518 ( 6.835 0.551 -4.552) 8.230 5.619 ( -7.179 -1.312 -6.640) 9.867 5.815 ( 8.226 -9.731 0.078) 12.742 6.022 ( -9.070 -5.498 -6.512) 12.445 6.293 ( -4.483 -11.098 1.438) 12.056 6.512 ( -0.030 -12.431 -8.355) 14.978 7.073 ( -14.880 5.475 8.431) 17.958 7.274 ( -12.901 1.520 4.890) 13.881 7.427 ( -0.283 0.941 4.506) 4.612 7.630 ( -2.165 -0.441 -0.699) 2.317 7.843 ( -2.384 -0.360 4.637) 5.226 7.950 ( -0.907 1.065 4.489) 4.702 8.035 ( 2.983 6.562 -0.017) 7.208 8.153 ( -0.368 2.925 0.861) 3.071 8.566 ( 3.128 -0.781 6.812) 7.536 8.614 ( 1.856 -0.879 6.942) 7.240 10.391 ( -1.347 3.948 3.730) 5.596 10.517 ( -2.810 2.291 0.537) 3.665 11.021 ( -0.737 -1.929 1.108) 2.343 11.156 ( 2.677 -2.725 -2.382) 4.502 12.008 ( 1.651 2.745 4.754) 5.732 12.123 ( -0.400 1.487 3.109) 3.469 12.353 ( -4.027 0.534 5.741) 7.033 12.618 ( -3.512 4.682 1.985) 6.180 13.009 ( 2.929 -2.874 -4.118) 5.813 13.183 ( 3.270 -0.882 -5.633) 6.572 22.465 ( 1.328 0.860 2.998) 3.390 22.627 ( -1.014 3.023 1.761) 3.643 22.726 ( 2.230 1.504 0.750) 2.792 23.057 ( 1.014 -2.611 2.400) 3.689 23.085 ( 4.994 4.573 -5.731) 8.871 23.325 ( -0.154 6.345 -4.002) 7.503 23.712 ( 0.290 -3.443 8.076) 8.784 24.016 ( -6.886 -5.982 -2.714) 9.517 ======================= Grid point 206 (72/100) ======================= q-point: ( 0.43 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 4.997 -4.116 -5.977) 8.811 2.031 ( -2.013 0.397 5.566) 5.932 2.196 ( -1.984 6.219 2.183) 6.883 2.394 ( -2.641 7.890 10.491) 13.390 2.703 ( 6.053 7.119 6.269) 11.253 2.930 ( -8.010 9.176 2.630) 12.461 3.444 ( 6.202 10.592 -12.903) 17.809 3.548 ( 1.409 -1.403 -3.197) 3.765 3.737 ( 4.061 7.336 -27.791) 29.028 3.908 ( -0.039 0.289 -29.727) 29.728 4.311 ( 19.377 -3.386 6.111) 20.598 4.542 ( 1.583 -2.156 -1.581) 3.108 5.107 ( 3.674 -7.323 -1.879) 8.406 5.283 ( -4.068 -0.157 -9.407) 10.251 5.488 ( 1.264 0.539 -4.667) 4.865 5.699 ( -7.405 -8.641 0.397) 11.386 5.781 ( 7.949 -9.252 -8.171) 14.682 6.000 ( -3.205 -15.700 -2.712) 16.251 6.292 ( 7.162 -1.260 4.360) 8.479 6.566 ( 3.710 -3.135 -0.078) 4.858 6.760 ( -11.489 0.071 2.185) 11.695 6.965 ( -14.014 -2.117 1.959) 14.308 7.477 ( 3.354 0.327 3.843) 5.111 7.576 ( -3.055 -0.036 1.812) 3.552 7.791 ( -1.802 3.314 6.797) 7.773 7.937 ( -0.306 -0.262 6.584) 6.597 8.084 ( 1.485 7.443 -1.666) 7.770 8.153 ( 0.047 3.714 -0.436) 3.740 8.618 ( 1.807 -0.819 6.471) 6.768 8.635 ( 0.108 -0.930 6.445) 6.513 10.373 ( -0.381 2.420 3.189) 4.022 10.473 ( -1.257 1.618 1.036) 2.296 11.008 ( -0.369 -3.342 0.875) 3.475 11.200 ( 1.220 -4.471 -4.319) 6.335 12.005 ( -0.545 3.179 5.885) 6.711 12.151 ( 1.124 2.739 3.498) 4.583 12.309 ( -0.247 2.148 4.754) 5.222 12.550 ( -2.469 4.357 3.027) 5.852 13.053 ( 1.209 -2.818 -3.921) 4.978 13.226 ( 0.977 -1.286 -5.526) 5.757 22.490 ( 0.910 2.102 3.144) 3.890 22.604 ( -0.980 3.040 3.186) 4.511 22.774 ( 1.729 1.443 0.223) 2.263 23.043 ( -0.773 1.005 2.844) 3.114 23.181 ( 2.764 4.171 -7.712) 9.193 23.321 ( -0.206 4.443 -3.938) 5.940 23.751 ( 3.553 -5.258 5.352) 8.301 23.876 ( -6.260 -5.965 0.618) 8.669 ======================= Grid point 210 (73/100) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 0.000 -4.123 7.927) 8.935 1.899 ( 0.000 6.134 11.350) 12.901 2.364 ( 0.000 -1.470 18.382) 18.440 2.490 ( 0.000 10.584 -8.983) 13.882 2.755 ( 0.000 -5.642 2.033) 5.997 2.888 ( 0.000 3.202 -5.983) 6.786 2.997 ( 0.000 -2.704 -14.539) 14.788 3.221 ( 0.000 -7.534 -9.751) 12.323 3.234 ( 0.000 0.539 -9.222) 9.237 3.831 ( 0.000 -18.698 -15.821) 24.493 4.018 ( 0.000 26.832 3.543) 27.065 4.282 ( 0.000 13.618 -5.866) 14.827 5.001 ( 0.000 6.560 -1.928) 6.837 5.029 ( 0.000 -1.852 -3.477) 3.940 5.238 ( 0.000 3.360 -7.975) 8.654 5.250 ( 0.000 -6.387 -5.518) 8.441 5.798 ( 0.000 -8.042 -10.382) 13.132 6.109 ( 0.000 -16.318 -15.870) 22.763 6.390 ( 0.000 0.899 0.783) 1.192 6.454 ( 0.000 -0.703 -1.350) 1.522 7.039 ( 0.000 -7.807 7.436) 10.782 7.399 ( 0.000 -14.090 -2.013) 14.233 7.585 ( 0.000 -0.643 8.751) 8.775 7.865 ( 0.000 0.997 1.628) 1.909 7.919 ( 0.000 11.421 6.506) 13.144 7.948 ( 0.000 -2.135 0.602) 2.218 8.065 ( 0.000 5.220 0.084) 5.220 8.243 ( 0.000 1.086 0.142) 1.095 8.430 ( 0.000 -0.988 8.178) 8.237 8.535 ( 0.000 -0.534 8.088) 8.105 10.562 ( 0.000 5.628 5.067) 7.573 10.667 ( 0.000 1.280 2.460) 2.773 11.037 ( 0.000 1.639 1.794) 2.430 11.100 ( 0.000 -0.992 0.124) 1.000 11.931 ( 0.000 2.313 7.579) 7.924 12.218 ( 0.000 -1.456 0.229) 1.474 12.506 ( 0.000 0.806 4.443) 4.516 12.777 ( 0.000 3.489 1.928) 3.986 12.882 ( 0.000 -2.616 -6.750) 7.240 13.014 ( 0.000 -1.011 -4.700) 4.808 22.424 ( 0.000 0.426 3.650) 3.675 22.709 ( 0.000 -1.026 -4.980) 5.084 22.714 ( 0.000 2.208 2.345) 3.221 22.805 ( 0.000 -0.971 -0.102) 0.976 23.127 ( 0.000 2.303 4.265) 4.848 23.449 ( 0.000 3.800 -1.521) 4.093 23.721 ( 0.000 0.452 8.067) 8.079 24.067 ( 0.000 -4.974 -6.886) 8.494 ======================= Grid point 211 (74/100) ======================= q-point: ( 0.14 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -1.910 -3.582 5.656) 6.962 2.015 ( 8.500 6.269 11.788) 15.828 2.359 ( -0.225 -0.079 13.213) 13.215 2.604 ( 5.785 10.329 -5.750) 13.161 2.749 ( -2.401 0.210 -2.126) 3.214 2.934 ( 10.399 -2.508 1.403) 10.789 3.074 ( 7.616 -1.439 -7.705) 10.929 3.229 ( 3.643 -2.078 -10.230) 11.057 3.428 ( 13.348 -4.759 -13.226) 19.384 3.831 ( 0.484 -8.792 -12.187) 15.035 4.034 ( 2.125 17.980 -1.160) 18.142 4.281 ( 0.121 10.599 -9.764) 14.411 4.904 ( -3.646 2.301 -4.196) 6.016 5.091 ( 1.822 -3.367 -6.079) 7.184 5.322 ( 8.795 4.259 -4.577) 10.790 5.414 ( 12.898 -2.787 -2.425) 13.417 5.752 ( -4.488 -5.571 -9.985) 12.283 6.089 ( -2.331 -12.961 -12.597) 18.224 6.254 ( -10.146 -4.768 -0.562) 11.224 6.343 ( -9.690 -4.712 -1.621) 10.896 7.141 ( 7.188 -3.495 7.074) 10.673 7.427 ( 0.827 -10.861 1.373) 10.978 7.507 ( -6.641 0.993 4.300) 7.974 7.772 ( -9.420 3.501 0.556) 10.064 7.852 ( -2.568 1.510 6.018) 6.715 7.987 ( 0.889 2.813 4.517) 5.395 8.087 ( 1.874 3.753 0.544) 4.230 8.216 ( -1.295 1.603 0.160) 2.067 8.479 ( 3.686 -0.724 6.921) 7.875 8.558 ( 1.929 -0.550 7.608) 7.868 10.535 ( -2.419 5.056 4.719) 7.327 10.626 ( -3.546 1.046 2.506) 4.466 11.039 ( -1.232 0.602 0.810) 1.592 11.092 ( 0.481 -0.670 -0.324) 0.886 11.987 ( 4.987 2.951 6.731) 8.881 12.178 ( -3.092 -0.788 1.160) 3.395 12.450 ( -4.605 0.260 5.228) 6.972 12.747 ( -2.749 1.842 1.088) 3.483 12.914 ( 3.082 -0.351 -5.042) 5.920 13.073 ( 4.274 -1.697 -5.135) 6.893 22.441 ( 1.538 0.178 4.063) 4.348 22.683 ( -0.342 1.271 1.181) 1.769 22.740 ( 1.136 2.413 -0.979) 2.841 22.876 ( 5.451 -3.175 -1.716) 6.537 23.131 ( 0.718 2.577 2.986) 4.010 23.449 ( 0.044 4.013 -1.956) 4.465 23.701 ( -1.824 0.153 7.878) 8.088 24.018 ( -4.567 -5.008 -6.304) 9.256 ======================= Grid point 212 (75/100) ======================= q-point: ( 0.29 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 2.027 -3.526 1.444) 4.316 2.113 ( -1.396 2.316 2.703) 3.824 2.367 ( 2.541 8.212 11.960) 14.729 2.664 ( -2.730 7.658 5.732) 9.947 2.705 ( 3.989 4.162 4.461) 7.289 3.111 ( -0.511 2.227 -2.384) 3.302 3.343 ( 13.769 -6.970 3.153) 15.752 3.403 ( 17.175 3.898 -11.974) 21.297 3.661 ( 8.183 -7.470 -12.831) 16.953 3.894 ( 5.505 8.718 -15.960) 19.001 4.136 ( 7.918 7.553 -13.593) 17.450 4.306 ( 3.588 1.074 -10.558) 11.202 4.871 ( 0.318 -4.513 -2.791) 5.316 5.144 ( 3.385 -4.936 -7.903) 9.913 5.493 ( 6.454 0.263 -5.297) 8.354 5.621 ( -7.295 -0.793 -9.052) 11.653 5.707 ( 11.126 -0.394 0.821) 11.163 5.944 ( -12.342 -3.279 -3.929) 13.361 6.087 ( -4.561 -7.141 -0.151) 8.475 6.232 ( 4.597 -13.815 -6.017) 15.754 7.163 ( -11.888 3.340 8.288) 14.872 7.297 ( -6.297 0.123 4.923) 7.994 7.461 ( -3.855 0.113 -0.381) 3.875 7.568 ( -4.768 -3.033 -1.374) 5.816 7.829 ( -0.220 -0.519 8.275) 8.294 7.962 ( -2.658 0.712 7.732) 8.207 8.141 ( 3.120 3.161 0.044) 4.442 8.212 ( 0.565 2.563 -0.936) 2.787 8.552 ( 3.220 -0.522 6.175) 6.983 8.598 ( 1.714 -0.642 6.780) 7.023 10.477 ( -2.940 3.861 4.039) 6.314 10.547 ( -3.677 0.549 2.364) 4.406 10.998 ( -1.789 -0.504 -0.841) 2.040 11.109 ( 0.386 -1.613 -2.861) 3.307 12.079 ( 1.409 3.493 4.549) 5.906 12.151 ( 2.552 1.072 4.199) 5.029 12.360 ( -3.187 0.157 6.628) 7.356 12.676 ( -4.148 0.832 2.036) 4.695 12.984 ( 3.308 0.729 -4.327) 5.495 13.147 ( 2.658 -2.426 -5.356) 6.453 22.484 ( 2.677 0.790 4.986) 5.714 22.684 ( -0.360 1.875 5.680) 5.992 22.769 ( 1.878 3.241 -1.907) 4.203 22.970 ( 2.702 -4.935 0.419) 5.641 23.182 ( 4.899 3.667 -2.984) 6.809 23.449 ( -0.283 4.744 -3.524) 5.916 23.659 ( -1.767 -1.081 7.486) 7.767 23.895 ( -7.170 -5.353 -4.254) 9.907 ======================= Grid point 213 (76/100) ======================= q-point: ( 0.43 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 5.773 -2.412 -3.985) 7.417 1.995 ( -7.495 -2.195 -3.827) 8.697 2.456 ( 4.511 14.140 13.665) 20.175 2.589 ( -3.458 8.555 12.336) 15.405 2.819 ( 5.267 6.307 10.212) 13.108 3.034 ( -4.961 3.909 4.483) 7.745 3.466 ( 2.043 -4.587 -2.700) 5.702 3.714 ( 6.633 4.022 -16.820) 18.522 3.837 ( 7.786 -0.431 -9.905) 12.606 3.987 ( 3.196 11.234 -28.000) 30.338 4.274 ( 7.249 1.656 -12.001) 14.118 4.412 ( 0.395 -9.039 -6.605) 11.202 4.953 ( 9.151 -6.251 -1.960) 11.254 5.179 ( -2.358 -8.739 -6.522) 11.157 5.497 ( -2.190 0.163 -5.290) 5.727 5.557 ( -2.604 -1.381 -8.857) 9.335 5.669 ( -7.452 -4.781 -5.461) 10.403 5.708 ( -5.514 -10.589 -4.790) 12.864 6.297 ( 17.724 1.055 4.424) 18.298 6.454 ( 12.589 -4.968 2.138) 13.701 6.837 ( -13.813 4.009 3.152) 14.724 6.992 ( -19.574 3.040 1.989) 19.908 7.472 ( 2.964 -0.469 1.826) 3.513 7.537 ( -1.421 -3.153 0.855) 3.563 7.830 ( 0.087 0.868 9.698) 9.737 7.912 ( -1.589 -1.508 9.111) 9.370 8.196 ( 1.990 3.036 -0.675) 3.693 8.219 ( -0.210 2.708 -1.048) 2.912 8.603 ( 1.696 -0.526 6.028) 6.284 8.618 ( 0.177 -0.629 6.232) 6.266 10.431 ( -1.247 2.840 3.361) 4.573 10.493 ( -1.455 0.229 2.070) 2.541 10.977 ( -0.343 0.184 -2.158) 2.193 11.104 ( -0.481 -4.327 -5.390) 6.929 12.083 ( 0.241 3.849 6.116) 7.231 12.191 ( -0.150 0.680 4.948) 4.997 12.366 ( 2.913 3.418 5.543) 7.133 12.589 ( -3.688 -0.703 4.222) 5.650 13.034 ( 1.412 1.264 -4.513) 4.895 13.179 ( 0.608 -3.158 -5.179) 6.096 22.543 ( 2.575 2.709 5.570) 6.708 22.657 ( -1.848 1.524 7.604) 7.973 22.807 ( 1.378 2.400 -1.270) 3.045 22.989 ( 0.008 -4.519 2.868) 5.353 23.306 ( 5.769 5.745 -8.479) 11.754 23.425 ( -2.208 5.168 -5.859) 8.119 23.653 ( 1.645 -3.748 5.943) 7.216 23.750 ( -6.204 -5.859 0.159) 8.535 ======================= Grid point 217 (77/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 0.000 9.861) 9.861 1.970 ( 0.000 0.000 11.331) 11.331 2.348 ( 0.000 0.000 19.605) 19.605 2.540 ( 0.000 0.000 7.415) 7.415 2.807 ( 0.000 -0.000 -16.939) 16.939 2.894 ( 0.000 0.000 -13.514) 13.514 2.948 ( 0.000 -0.000 -5.125) 5.125 3.193 ( 0.000 -0.000 -9.866) 9.866 3.204 ( 0.000 0.000 -6.171) 6.171 3.588 ( 0.000 0.000 -11.694) 11.694 4.344 ( 0.000 -0.000 5.482) 5.482 4.385 ( 0.000 0.000 -14.929) 14.929 5.021 ( 0.000 0.000 -6.237) 6.237 5.122 ( 0.000 0.000 -1.200) 1.200 5.177 ( 0.000 0.000 -5.292) 5.292 5.341 ( 0.000 -0.000 -3.290) 3.290 5.767 ( 0.000 -0.000 -12.069) 12.069 5.795 ( 0.000 0.000 -14.687) 14.687 6.399 ( 0.000 0.000 0.685) 0.685 6.446 ( 0.000 0.000 -1.064) 1.064 6.963 ( 0.000 0.000 3.960) 3.960 7.208 ( 0.000 -0.000 0.244) 0.244 7.582 ( 0.000 0.000 7.925) 7.925 7.899 ( 0.000 0.000 4.043) 4.043 7.909 ( 0.000 0.000 -3.308) 3.308 8.066 ( 0.000 0.000 5.617) 5.617 8.095 ( 0.000 -0.000 1.647) 1.647 8.254 ( 0.000 0.000 -0.200) 0.200 8.420 ( 0.000 0.000 7.309) 7.309 8.528 ( 0.000 0.000 8.203) 8.203 10.648 ( 0.000 0.000 4.373) 4.373 10.655 ( 0.000 -0.000 4.942) 4.942 11.065 ( 0.000 -0.000 1.185) 1.185 11.079 ( 0.000 0.000 1.249) 1.249 11.964 ( 0.000 0.000 7.672) 7.672 12.197 ( 0.000 0.000 0.771) 0.771 12.516 ( 0.000 0.000 3.653) 3.653 12.819 ( 0.000 0.000 1.403) 1.403 12.852 ( 0.000 0.000 -6.462) 6.462 12.999 ( 0.000 0.000 -5.062) 5.062 22.429 ( 0.000 0.000 3.432) 3.432 22.697 ( 0.000 0.000 -4.703) 4.703 22.745 ( 0.000 0.000 1.872) 1.872 22.788 ( 0.000 0.000 0.518) 0.518 23.153 ( 0.000 0.000 4.765) 4.765 23.485 ( 0.000 0.000 0.086) 0.086 23.735 ( 0.000 0.000 7.710) 7.710 24.008 ( 0.000 0.000 -8.328) 8.328 ======================= Grid point 219 (78/100) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -1.715 0.000 8.413) 8.586 2.088 ( 8.326 0.000 9.035) 12.287 2.363 ( 2.466 0.000 16.031) 16.220 2.695 ( 9.284 0.000 5.886) 10.992 2.754 ( -2.904 -0.000 -6.262) 6.902 2.910 ( 3.916 0.000 1.016) 4.046 3.063 ( 12.720 0.000 -13.624) 18.639 3.265 ( 5.576 0.000 -11.033) 12.362 3.339 ( 9.582 -0.000 -11.428) 14.913 3.649 ( 7.526 0.000 -10.410) 12.846 4.273 ( -5.327 -0.000 1.195) 5.459 4.396 ( 0.840 0.000 -17.200) 17.220 4.954 ( -7.924 0.000 -3.629) 8.715 5.061 ( 2.294 0.000 -8.807) 9.101 5.394 ( 11.903 0.000 -2.684) 12.202 5.434 ( 8.554 -0.000 0.172) 8.556 5.759 ( -0.232 -0.000 -9.861) 9.864 5.796 ( 1.165 0.000 -12.985) 13.038 6.199 ( -14.755 0.000 0.316) 14.759 6.303 ( -12.643 0.000 -2.534) 12.895 7.124 ( 11.118 0.000 3.580) 11.681 7.263 ( 3.861 -0.000 2.854) 4.802 7.520 ( -6.398 0.000 5.382) 8.361 7.813 ( -9.343 -0.000 -3.074) 9.836 7.857 ( -2.875 0.000 5.938) 6.598 8.041 ( -2.534 0.000 6.926) 7.375 8.119 ( 2.222 0.000 1.370) 2.610 8.235 ( -0.642 0.000 -0.541) 0.840 8.471 ( 3.809 0.000 6.417) 7.462 8.551 ( 1.928 0.000 7.596) 7.837 10.613 ( -3.259 0.000 4.150) 5.277 10.614 ( -3.455 -0.000 4.516) 5.686 11.043 ( -2.869 0.000 0.516) 2.915 11.087 ( 1.416 0.000 0.000) 1.416 12.028 ( 5.737 0.000 7.093) 9.122 12.164 ( -2.634 0.000 1.413) 2.989 12.454 ( -5.041 0.000 4.768) 6.939 12.759 ( -3.554 0.000 -0.127) 3.556 12.923 ( 4.324 0.000 -4.053) 5.927 13.047 ( 3.676 -0.000 -5.280) 6.434 22.442 ( 1.459 0.000 4.270) 4.513 22.696 ( 0.244 -0.000 0.985) 1.015 22.793 ( 3.796 0.000 -2.565) 4.582 22.815 ( 2.289 0.000 0.582) 2.361 23.160 ( 1.063 0.000 3.249) 3.419 23.488 ( 0.276 0.000 -0.180) 0.329 23.713 ( -2.034 0.000 7.455) 7.727 23.958 ( -4.727 0.000 -7.982) 9.277 ======================= Grid point 221 (79/100) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 2.560 0.000 4.183) 4.904 2.126 ( -4.878 0.000 -2.471) 5.468 2.495 ( 8.061 -0.000 16.227) 18.119 2.721 ( -2.327 -0.000 4.613) 5.167 2.771 ( 5.698 0.000 8.053) 9.865 3.122 ( 8.174 0.000 9.552) 12.572 3.333 ( 7.319 0.000 -11.033) 13.240 3.467 ( 3.137 -0.000 -10.986) 11.425 3.471 ( 20.685 0.000 -8.992) 22.555 3.936 ( 18.126 -0.000 -13.729) 22.738 4.199 ( -0.677 -0.000 -11.374) 11.394 4.401 ( -1.041 0.000 -20.552) 20.579 4.830 ( -3.599 0.000 -2.613) 4.448 5.088 ( 0.599 0.000 -9.607) 9.626 5.553 ( 2.229 0.000 -9.240) 9.505 5.554 ( 0.594 -0.000 -5.352) 5.384 5.738 ( -7.258 -0.000 2.427) 7.653 5.918 ( -0.474 0.000 -2.117) 2.169 6.018 ( 5.469 0.000 -2.918) 6.198 6.032 ( 0.121 0.000 -4.184) 4.186 7.212 ( -13.165 0.000 7.546) 15.175 7.283 ( 1.042 0.000 4.982) 5.090 7.422 ( 1.224 -0.000 0.250) 1.249 7.565 ( -11.902 0.000 -3.661) 12.452 7.823 ( -0.321 0.000 8.574) 8.580 7.972 ( -3.943 0.000 8.889) 9.725 8.174 ( 2.907 0.000 0.735) 2.998 8.240 ( 0.745 0.000 -1.134) 1.357 8.546 ( 3.290 0.000 5.890) 6.747 8.591 ( 1.695 0.000 6.694) 6.906 10.533 ( -3.960 0.000 3.552) 5.319 10.539 ( -3.549 -0.000 3.671) 5.106 10.994 ( -1.452 0.000 -1.654) 2.201 11.093 ( -1.203 0.000 -3.016) 3.247 12.123 ( -0.875 0.000 3.683) 3.785 12.161 ( 5.853 0.000 5.571) 8.081 12.362 ( -2.552 0.000 7.089) 7.534 12.677 ( -4.751 0.000 1.657) 5.032 13.008 ( 3.934 0.000 -4.074) 5.663 13.109 ( 1.912 -0.000 -5.418) 5.746 22.493 ( 3.507 0.000 5.972) 6.926 22.700 ( -0.354 -0.000 5.633) 5.644 22.861 ( 2.162 0.000 -2.248) 3.119 22.863 ( 2.064 0.000 0.938) 2.267 23.222 ( 5.552 0.000 -2.668) 6.160 23.496 ( 0.453 0.000 -1.333) 1.408 23.663 ( -2.630 0.000 6.923) 7.406 23.826 ( -7.869 0.000 -6.358) 10.116 ======================= Grid point 223 (80/100) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 7.139 0.000 -1.642) 7.326 1.971 ( -8.876 0.000 -5.625) 10.508 2.612 ( 3.901 -0.000 15.687) 16.165 2.673 ( -2.427 -0.000 11.114) 11.376 2.949 ( 9.832 0.000 11.540) 15.161 3.121 ( -6.098 0.000 8.745) 10.662 3.456 ( 4.499 -0.000 -6.522) 7.923 3.499 ( 0.033 0.000 -8.906) 8.906 3.925 ( 20.303 0.000 -4.631) 20.824 4.179 ( -0.118 -0.000 -11.010) 11.011 4.248 ( 4.327 0.000 -26.219) 26.574 4.333 ( -4.672 -0.000 -26.426) 26.836 4.879 ( 9.701 -0.000 -1.176) 9.772 5.069 ( -4.409 0.000 -5.953) 7.408 5.513 ( -3.254 0.000 -4.640) 5.667 5.536 ( -6.393 -0.000 -2.841) 6.996 5.564 ( -0.656 0.000 -9.855) 9.877 5.645 ( -10.637 0.000 -9.261) 14.104 6.318 ( 17.779 -0.000 3.822) 18.186 6.395 ( 17.833 0.000 4.641) 18.427 6.884 ( -13.845 0.000 3.259) 14.224 7.029 ( -19.998 0.000 2.192) 20.117 7.471 ( 2.111 0.000 1.634) 2.669 7.490 ( 0.189 0.000 0.115) 0.221 7.839 ( 1.773 0.000 9.862) 10.020 7.893 ( -3.491 0.000 10.015) 10.606 8.226 ( 1.932 0.000 -0.016) 1.932 8.248 ( -0.239 0.000 -0.754) 0.792 8.598 ( 1.650 0.000 5.835) 6.064 8.612 ( 0.242 0.000 6.113) 6.118 10.476 ( -1.326 0.000 2.866) 3.158 10.482 ( -1.771 -0.000 2.921) 3.416 10.995 ( 1.510 0.000 -4.083) 4.353 11.045 ( -2.990 -0.000 -4.965) 5.795 12.136 ( 1.965 0.000 5.872) 6.192 12.186 ( -2.347 -0.000 5.938) 6.385 12.418 ( 6.836 0.000 6.339) 9.323 12.562 ( -6.584 -0.000 3.930) 7.668 13.078 ( 2.844 0.000 -4.548) 5.364 13.118 ( -0.916 -0.000 -5.112) 5.193 22.579 ( 4.643 0.000 7.433) 8.764 22.664 ( -3.274 -0.000 7.782) 8.442 22.885 ( 0.636 -0.000 0.087) 0.642 22.889 ( 0.427 0.000 1.088) 1.169 23.374 ( 8.325 0.000 -9.169) 12.384 23.492 ( -1.923 -0.000 -6.473) 6.753 23.620 ( -1.063 0.000 6.628) 6.712 23.666 ( -6.509 0.000 0.325) 6.517 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.000 0.000 12.056) 12.056 1.852 ( 0.000 0.000 6.341) 6.341 1.897 ( 0.000 0.000 8.455) 8.455 1.916 ( 0.000 0.000 -18.260) 18.260 2.458 ( 0.000 0.000 4.254) 4.254 2.655 ( 0.000 0.000 -7.561) 7.561 2.727 ( 0.000 0.000 -20.162) 20.162 2.739 ( 0.000 0.000 -20.220) 20.220 3.326 ( 0.000 0.000 12.357) 12.357 3.418 ( 0.000 0.000 0.961) 0.961 3.985 ( 0.000 0.000 10.853) 10.853 4.236 ( 0.000 0.000 -13.813) 13.813 5.274 ( 0.000 0.000 10.199) 10.199 5.489 ( 0.000 0.000 -10.095) 10.095 5.729 ( 0.000 0.000 2.702) 2.702 5.784 ( 0.000 0.000 -2.525) 2.525 5.992 ( 0.000 0.000 6.862) 6.862 6.254 ( 0.000 0.000 4.105) 4.105 6.257 ( 0.000 0.000 -17.965) 17.965 6.343 ( 0.000 0.000 -4.751) 4.751 7.312 ( 0.000 0.000 6.038) 6.038 7.414 ( 0.000 0.000 -4.252) 4.252 7.670 ( 0.000 0.000 6.686) 6.686 7.711 ( 0.000 0.000 -0.344) 0.344 7.780 ( 0.000 0.000 4.940) 4.940 7.912 ( 0.000 0.000 -5.049) 5.049 8.120 ( 0.000 0.000 5.946) 5.946 8.210 ( 0.000 0.000 -2.720) 2.720 8.635 ( 0.000 0.000 4.368) 4.368 8.662 ( 0.000 0.000 2.066) 2.066 10.363 ( 0.000 0.000 2.753) 2.753 10.416 ( 0.000 0.000 -2.496) 2.496 11.018 ( 0.000 0.000 2.298) 2.298 11.067 ( 0.000 0.000 -2.609) 2.609 12.092 ( 0.000 0.000 3.669) 3.669 12.169 ( 0.000 0.000 -3.986) 3.986 12.659 ( 0.000 0.000 9.330) 9.330 12.734 ( 0.000 0.000 8.056) 8.056 12.847 ( 0.000 0.000 -9.191) 9.191 12.880 ( 0.000 0.000 -6.350) 6.350 22.510 ( 0.000 0.000 5.967) 5.967 22.637 ( 0.000 0.000 -6.625) 6.625 22.677 ( 0.000 0.000 2.995) 2.995 22.739 ( 0.000 0.000 -3.174) 3.174 23.067 ( 0.000 0.000 -0.003) 0.003 23.068 ( 0.000 0.000 -0.120) 0.120 23.999 ( 0.000 0.000 10.377) 10.377 24.193 ( 0.000 0.000 -8.922) 8.922 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 2.901 0.000 5.374) 6.107 1.821 ( -2.243 0.000 -13.057) 13.249 2.057 ( 15.798 0.000 9.964) 18.678 2.136 ( 14.080 0.000 6.505) 15.509 2.417 ( -2.362 0.000 5.514) 5.998 2.681 ( -3.162 0.000 -18.094) 18.368 2.701 ( 2.232 0.000 -7.588) 7.909 2.832 ( 6.359 0.000 -24.821) 25.623 3.364 ( 5.610 0.000 11.759) 13.029 3.450 ( 5.553 0.000 0.932) 5.630 4.148 ( 13.215 0.000 8.398) 15.658 4.327 ( 6.642 0.000 -9.081) 11.251 5.125 ( -7.781 0.000 6.478) 10.125 5.281 ( -12.011 0.000 -7.746) 14.292 5.701 ( -11.835 0.000 4.284) 12.586 5.828 ( -8.539 0.000 -6.657) 10.827 6.009 ( 11.869 0.000 6.285) 13.430 6.180 ( 7.189 0.000 -10.636) 12.838 6.401 ( 7.698 0.000 3.641) 8.516 6.526 ( 8.188 0.000 -8.676) 11.930 7.234 ( -7.135 0.000 6.922) 9.941 7.351 ( -5.553 0.000 -4.813) 7.349 7.650 ( -2.124 0.000 6.064) 6.425 7.697 ( -1.619 0.000 -0.763) 1.790 7.753 ( -2.679 0.000 4.525) 5.258 7.868 ( -4.592 0.000 -4.603) 6.502 8.094 ( -1.970 0.000 4.898) 5.279 8.160 ( -3.960 0.000 -1.149) 4.124 8.658 ( 2.031 0.000 4.261) 4.720 8.685 ( 1.974 0.000 1.862) 2.714 10.363 ( 0.100 0.000 2.639) 2.641 10.413 ( -0.284 0.000 -2.250) 2.267 11.059 ( 3.848 0.000 2.415) 4.543 11.109 ( 3.807 0.000 -2.556) 4.585 12.087 ( -0.463 0.000 3.295) 3.327 12.148 ( -1.796 0.000 -2.566) 3.132 12.561 ( -7.093 0.000 5.748) 9.129 12.610 ( -7.969 0.000 2.005) 8.217 12.951 ( 6.169 0.000 -3.254) 6.974 12.964 ( 5.762 0.000 -3.643) 6.817 22.491 ( -1.230 0.000 4.129) 4.309 22.576 ( -3.752 0.000 -4.144) 5.590 22.704 ( 1.948 0.000 3.726) 4.205 22.791 ( 2.642 0.000 -4.976) 5.634 23.090 ( 2.236 0.000 -0.037) 2.236 23.091 ( 2.243 0.000 -0.087) 2.244 23.986 ( -1.054 0.000 9.619) 9.676 24.163 ( -2.750 0.000 -7.924) 8.388 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 6.773 0.000 -4.699) 8.244 1.809 ( 1.027 0.000 -12.240) 12.283 2.285 ( 2.500 0.000 14.380) 14.596 2.353 ( 4.681 0.000 13.578) 14.362 2.459 ( 7.759 0.000 7.570) 10.840 2.618 ( -1.942 0.000 -12.828) 12.974 2.724 ( 2.232 0.000 -9.606) 9.861 2.937 ( 3.271 0.000 -28.735) 28.920 3.614 ( 17.646 0.000 8.200) 19.458 3.685 ( 15.864 0.000 -0.294) 15.867 4.363 ( 4.472 0.000 1.253) 4.644 4.375 ( -1.988 0.000 -0.183) 1.996 5.121 ( 3.382 0.000 3.375) 4.778 5.195 ( 6.137 0.000 -2.226) 6.529 5.475 ( -3.702 0.000 -2.442) 4.435 5.527 ( -16.537 0.000 -7.688) 18.237 6.240 ( 5.109 0.000 8.160) 9.627 6.395 ( 7.705 0.000 -6.736) 10.234 6.482 ( 2.459 0.000 2.910) 3.810 6.596 ( -1.301 0.000 -7.892) 7.999 7.080 ( -5.560 0.000 7.617) 9.430 7.229 ( -5.541 0.000 -6.599) 8.617 7.582 ( -4.355 0.000 4.864) 6.528 7.640 ( -4.097 0.000 -1.612) 4.403 7.682 ( -3.696 0.000 2.311) 4.359 7.730 ( -7.739 0.000 -1.788) 7.943 8.063 ( -0.867 0.000 3.373) 3.483 8.093 ( -2.151 0.000 0.839) 2.308 8.706 ( 2.374 0.000 3.835) 4.510 8.728 ( 1.917 0.000 1.799) 2.630 10.368 ( 0.402 0.000 2.067) 2.106 10.404 ( -0.518 0.000 -1.488) 1.576 11.156 ( 5.141 0.000 2.376) 5.663 11.199 ( 4.401 0.000 -1.937) 4.808 12.080 ( -0.083 0.000 2.527) 2.529 12.111 ( -1.545 0.000 0.187) 1.556 12.422 ( -6.011 0.000 2.952) 6.697 12.455 ( -6.939 0.000 0.664) 6.970 13.058 ( 4.131 0.000 -2.138) 4.652 13.066 ( 3.935 0.000 -2.759) 4.806 22.476 ( -0.191 0.000 1.747) 1.758 22.515 ( -2.060 0.000 -2.066) 2.917 22.735 ( 1.054 0.000 3.152) 3.324 22.812 ( -0.518 0.000 -4.412) 4.442 23.148 ( 2.961 0.000 -0.066) 2.962 23.151 ( 3.185 0.000 -0.413) 3.212 23.968 ( -0.491 0.000 7.257) 7.274 24.094 ( -3.760 0.000 -5.218) 6.432 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 2.972 0.000 -11.519) 11.896 1.847 ( 1.924 0.000 -11.279) 11.442 2.299 ( 1.068 0.000 10.990) 11.041 2.345 ( -2.890 0.000 9.881) 10.295 2.552 ( 2.218 0.000 13.410) 13.592 2.595 ( -1.583 0.000 3.590) 3.923 2.852 ( 7.815 0.000 -17.837) 19.474 2.956 ( -1.840 0.000 -24.940) 25.008 3.911 ( 7.786 0.000 3.201) 8.418 3.942 ( 5.396 0.000 0.083) 5.396 4.404 ( 6.201 0.000 1.400) 6.357 4.409 ( 4.315 0.000 0.029) 4.315 5.004 ( -7.689 0.000 -1.267) 7.793 5.102 ( -15.467 0.000 -9.365) 18.082 5.598 ( 21.329 0.000 7.102) 22.480 5.734 ( 20.570 0.000 -5.598) 21.318 6.073 ( -16.298 0.000 7.413) 17.905 6.231 ( -19.495 0.000 -7.176) 20.773 6.612 ( 6.786 0.000 2.896) 7.378 6.652 ( 3.428 0.000 -0.039) 3.428 7.051 ( 1.878 0.000 0.628) 1.980 7.128 ( -4.777 0.000 -5.642) 7.393 7.506 ( -1.896 0.000 2.695) 3.295 7.534 ( -4.597 0.000 -0.330) 4.609 7.624 ( -1.642 0.000 0.318) 1.672 7.627 ( -2.192 0.000 0.132) 2.196 8.057 ( 0.161 0.000 2.482) 2.487 8.066 ( -0.764 0.000 1.735) 1.896 8.745 ( 1.256 0.000 3.069) 3.316 8.753 ( 0.457 0.000 2.264) 2.310 10.379 ( 0.613 0.000 0.977) 1.154 10.392 ( -0.650 0.000 -0.320) 0.725 11.244 ( 2.993 0.000 1.490) 3.343 11.263 ( 1.327 0.000 -0.325) 1.367 12.085 ( 0.467 0.000 2.096) 2.148 12.092 ( -0.376 0.000 1.826) 1.864 12.333 ( -2.304 0.000 1.093) 2.550 12.345 ( -3.411 0.000 0.466) 3.442 13.116 ( 1.523 0.000 -2.105) 2.598 13.119 ( 1.225 0.000 -2.381) 2.678 22.479 ( 0.358 0.000 0.343) 0.496 22.489 ( -0.720 0.000 -0.607) 0.942 22.755 ( 1.150 0.000 0.777) 1.388 22.785 ( -1.689 0.000 -2.174) 2.753 23.196 ( 1.420 0.000 -0.140) 1.427 23.199 ( 1.196 0.000 -0.470) 1.285 23.976 ( 1.377 0.000 3.325) 3.598 24.022 ( -3.065 0.000 -1.252) 3.310 ======================= Grid point 259 (85/100) ======================= q-point: ( 0.00 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 12.808 10.759) 16.728 1.859 ( 0.000 1.981 9.171) 9.383 1.979 ( 0.000 6.329 2.245) 6.716 2.125 ( 0.000 17.124 -19.231) 25.750 2.529 ( 0.000 6.842 5.242) 8.619 2.660 ( 0.000 0.719 -6.950) 6.987 2.759 ( 0.000 1.605 -17.655) 17.728 2.760 ( 0.000 3.869 -14.901) 15.395 3.371 ( 0.000 5.921 13.764) 14.983 3.508 ( 0.000 9.092 -2.293) 9.376 3.878 ( 0.000 -10.277 11.288) 15.266 4.141 ( 0.000 -9.206 -14.597) 17.257 5.206 ( 0.000 -6.095 9.076) 10.933 5.374 ( 0.000 -9.415 -6.349) 11.356 5.518 ( 0.000 -15.737 4.094) 16.261 5.602 ( 0.000 -13.998 -4.016) 14.562 5.972 ( 0.000 -2.894 2.531) 3.845 6.190 ( 0.000 -6.221 -17.328) 18.411 6.325 ( 0.000 4.193 2.963) 5.134 6.392 ( 0.000 2.683 -3.650) 4.530 7.456 ( 0.000 12.596 5.999) 13.951 7.556 ( 0.000 12.138 -4.163) 12.832 7.565 ( 0.000 -6.695 5.942) 8.951 7.629 ( 0.000 -5.214 -1.295) 5.372 7.836 ( 0.000 1.291 6.601) 6.726 7.961 ( 0.000 1.507 -4.533) 4.777 8.100 ( 0.000 -1.603 5.697) 5.918 8.196 ( 0.000 -1.141 -3.013) 3.221 8.626 ( 0.000 -0.887 4.616) 4.700 8.657 ( 0.000 -0.482 1.830) 1.892 10.403 ( 0.000 3.928 3.159) 5.040 10.461 ( 0.000 4.288 -2.662) 5.048 11.025 ( 0.000 0.731 2.244) 2.360 11.072 ( 0.000 0.479 -2.404) 2.452 12.068 ( 0.000 -1.664 5.169) 5.430 12.168 ( 0.000 -0.020 -4.768) 4.768 12.651 ( 0.000 -0.802 8.891) 8.928 12.758 ( 0.000 1.975 7.587) 7.840 12.830 ( 0.000 -1.502 -8.902) 9.028 12.898 ( 0.000 1.427 -6.240) 6.401 22.509 ( 0.000 -0.055 5.759) 5.759 22.632 ( 0.000 -0.467 -6.394) 6.411 22.692 ( 0.000 1.407 3.159) 3.458 22.755 ( 0.000 1.312 -3.009) 3.283 23.080 ( 0.000 2.134 2.073) 2.975 23.126 ( 0.000 4.551 -2.461) 5.174 23.974 ( 0.000 -2.309 9.843) 10.111 24.156 ( 0.000 -3.444 -8.259) 8.948 ======================= Grid point 260 (86/100) ======================= q-point: ( 0.14 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -0.439 8.910 5.851) 10.668 1.917 ( 1.387 7.985 -4.027) 9.050 2.146 ( 11.514 5.964 3.054) 13.321 2.212 ( 10.583 8.424 -0.885) 13.555 2.489 ( -1.813 7.152 7.326) 10.397 2.692 ( 0.018 2.438 -7.974) 8.338 2.755 ( 1.706 5.021 -12.341) 13.432 2.874 ( 7.834 3.394 -23.229) 24.749 3.403 ( 4.761 4.730 11.965) 13.718 3.507 ( 3.114 5.709 -0.539) 6.525 4.034 ( 11.574 -10.236 8.983) 17.873 4.227 ( 6.528 -9.210 -10.197) 15.213 5.071 ( -6.329 -4.695 6.086) 9.957 5.212 ( -6.913 -5.567 -6.865) 11.221 5.645 ( 1.898 -9.991 4.422) 11.090 5.739 ( -3.105 -5.896 -4.396) 7.983 5.882 ( 5.401 -9.604 3.986) 11.717 6.060 ( -3.908 -5.858 -12.353) 14.219 6.430 ( 5.554 -0.287 1.470) 5.752 6.507 ( 5.676 -2.789 -6.258) 8.897 7.361 ( -8.756 9.970 7.107) 15.052 7.468 ( -7.312 8.280 -3.549) 11.602 7.553 ( -1.543 -4.631 5.087) 7.050 7.616 ( -1.772 -3.167 -1.934) 4.112 7.837 ( -0.216 3.578 4.443) 5.709 7.926 ( -3.408 2.247 -3.439) 5.338 8.086 ( -0.973 -0.483 5.233) 5.345 8.165 ( -2.504 0.322 -1.856) 3.133 8.648 ( 2.008 -0.908 4.345) 4.872 8.678 ( 1.834 -0.625 1.650) 2.545 10.398 ( -0.407 3.410 3.079) 4.612 10.453 ( -0.712 3.776 -2.435) 4.549 11.058 ( 2.885 -0.119 2.266) 3.670 11.103 ( 2.790 -0.535 -2.273) 3.638 12.066 ( -0.107 -1.212 4.547) 4.707 12.147 ( -1.749 -0.003 -3.325) 3.757 12.567 ( -6.201 0.495 6.382) 8.912 12.642 ( -6.856 2.503 0.365) 7.308 12.929 ( 5.672 -1.483 -1.299) 6.005 12.978 ( 5.533 0.717 -4.922) 7.440 22.497 ( -0.730 0.621 4.132) 4.241 22.582 ( -3.001 0.617 -4.080) 5.102 22.723 ( 2.267 1.563 4.125) 4.960 22.816 ( 3.773 1.875 -5.072) 6.594 23.093 ( 1.320 1.203 1.980) 2.666 23.136 ( 1.114 3.647 -2.318) 4.463 23.959 ( -1.250 -2.494 9.152) 9.567 24.125 ( -2.814 -3.508 -7.341) 8.609 ======================= Grid point 261 (87/100) ======================= q-point: ( 0.29 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 2.266 3.750 -0.336) 4.395 1.912 ( -0.602 8.341 -11.770) 14.439 2.331 ( 4.791 1.886 12.416) 13.442 2.405 ( 4.086 6.925 11.315) 13.881 2.537 ( 7.693 7.597 6.894) 12.823 2.676 ( 0.120 5.816 -6.319) 8.589 2.794 ( 1.978 7.099 -12.639) 14.630 2.987 ( 2.616 4.575 -28.563) 29.045 3.605 ( 12.939 -0.940 7.566) 15.018 3.675 ( 10.636 -1.270 -0.556) 10.725 4.221 ( 7.077 -9.400 5.920) 13.171 4.329 ( 3.910 -5.277 -5.362) 8.478 5.084 ( 6.733 -1.802 6.179) 9.315 5.251 ( 9.277 0.666 -8.676) 12.720 5.469 ( -10.331 0.482 0.521) 10.356 5.541 ( -11.058 0.335 -5.976) 12.574 6.080 ( 6.605 -12.613 4.544) 14.945 6.167 ( 8.871 -15.851 -3.696) 18.537 6.472 ( -0.972 -4.211 0.635) 4.368 6.546 ( -1.402 -5.521 -6.682) 8.780 7.135 ( -12.160 4.176 8.429) 15.374 7.274 ( -11.430 1.692 -4.817) 12.518 7.523 ( -0.818 -1.248 3.555) 3.856 7.573 ( -1.808 -0.377 -1.900) 2.650 7.818 ( -1.730 7.228 0.941) 7.491 7.834 ( -4.912 5.816 -0.202) 7.615 8.073 ( -0.292 0.953 4.094) 4.213 8.119 ( -1.688 2.051 -0.141) 2.660 8.695 ( 2.309 -0.990 3.697) 4.470 8.718 ( 1.774 -0.894 1.596) 2.549 10.391 ( -0.221 2.289 2.685) 3.535 10.436 ( -0.883 2.829 -1.808) 3.471 11.124 ( 3.117 -2.858 2.472) 4.898 11.170 ( 3.396 -2.601 -2.175) 4.799 12.067 ( 0.155 -0.127 3.498) 3.503 12.117 ( -0.789 0.565 -1.011) 1.401 12.443 ( -5.538 2.003 5.139) 7.816 12.516 ( -5.388 4.477 -1.404) 7.145 13.029 ( 3.853 -1.979 -0.107) 4.333 13.076 ( 3.793 0.175 -4.402) 5.813 22.490 ( 0.022 1.420 2.297) 2.701 22.538 ( -1.176 2.188 -2.372) 3.435 22.762 ( 1.348 2.288 4.390) 5.131 22.863 ( 0.642 4.308 -5.499) 7.015 23.134 ( 2.411 -0.748 1.510) 2.942 23.171 ( 2.108 1.651 -2.141) 3.428 23.935 ( -0.815 -3.002 7.000) 7.660 24.054 ( -3.845 -3.670 -4.822) 7.177 ======================= Grid point 262 (88/100) ======================= q-point: ( 0.43 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 1.398 0.560 -4.867) 5.095 1.905 ( -0.228 2.998 -11.753) 12.131 2.359 ( -0.523 4.617 18.177) 18.761 2.454 ( 1.866 9.718 10.729) 14.596 2.636 ( 2.026 8.871 8.421) 12.398 2.693 ( -0.436 8.719 0.472) 8.743 2.879 ( 5.650 3.913 -19.468) 20.646 2.998 ( -1.276 3.730 -25.085) 25.393 3.765 ( 2.730 -11.252 1.746) 11.709 3.796 ( 0.500 -11.278 -1.233) 11.356 4.447 ( 13.209 2.341 3.059) 13.759 4.478 ( 10.219 4.160 -0.805) 11.063 5.045 ( -8.646 3.193 -1.583) 9.352 5.121 ( -15.288 1.353 -7.850) 17.239 5.568 ( 17.808 -3.388 6.890) 19.392 5.721 ( 19.522 -2.511 -7.218) 20.964 5.997 ( -12.441 -7.537 7.020) 16.152 6.162 ( -13.469 -8.497 -8.556) 18.078 6.483 ( 4.665 -7.552 5.523) 10.455 6.582 ( 4.145 -5.000 -2.863) 7.097 6.935 ( -5.479 -7.606 4.011) 10.196 7.041 ( -9.711 -6.641 -4.923) 12.754 7.525 ( 0.699 1.590 2.263) 2.852 7.554 ( -0.322 2.366 -0.647) 2.474 7.746 ( -2.749 8.825 2.460) 9.564 7.787 ( -1.124 10.690 -2.032) 10.939 8.072 ( 0.086 1.419 3.309) 3.602 8.097 ( -0.559 2.481 0.743) 2.649 8.733 ( 1.200 -1.082 2.843) 3.270 8.741 ( 0.419 -1.073 2.028) 2.332 10.389 ( 0.038 1.367 2.046) 2.461 10.421 ( -0.475 2.261 -1.062) 2.543 11.169 ( 1.198 -5.773 2.936) 6.587 11.224 ( 1.548 -4.121 -2.507) 5.066 12.069 ( 0.035 0.492 3.990) 4.021 12.120 ( 0.579 1.668 -0.828) 1.950 12.359 ( -2.311 3.261 4.738) 6.199 12.433 ( -2.394 5.858 -1.979) 6.630 13.082 ( 1.323 -2.237 0.043) 2.599 13.128 ( 1.271 -0.117 -4.230) 4.418 22.494 ( 0.216 1.919 1.703) 2.575 22.528 ( -0.139 3.233 -1.452) 3.547 22.780 ( 0.540 2.624 2.991) 4.016 22.856 ( -0.696 5.872 -4.233) 7.272 23.174 ( 1.169 -1.598 1.053) 2.242 23.207 ( 1.074 0.467 -2.088) 2.394 23.936 ( 1.083 -3.594 3.386) 5.055 23.982 ( -2.985 -3.733 -1.104) 4.905 ======================= Grid point 266 (89/100) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.000 5.367 8.815) 10.320 1.989 ( 0.000 5.653 14.905) 15.942 2.128 ( 0.000 7.670 -5.588) 9.490 2.434 ( 0.000 9.919 -25.945) 27.777 2.684 ( 0.000 6.254 11.934) 13.474 2.690 ( 0.000 2.026 -4.554) 4.984 2.790 ( 0.000 1.043 -11.895) 11.941 2.892 ( 0.000 7.094 -8.423) 11.012 3.582 ( 0.000 -17.149 12.018) 20.941 3.655 ( 0.000 21.994 12.231) 25.166 3.816 ( 0.000 20.303 -5.081) 20.929 3.867 ( 0.000 -16.547 -15.950) 22.983 5.062 ( 0.000 -6.303 6.830) 9.294 5.178 ( 0.000 -7.967 -4.223) 9.017 5.214 ( 0.000 -12.161 4.899) 13.111 5.322 ( 0.000 -11.776 -5.571) 13.027 5.853 ( 0.000 -8.261 -0.583) 8.281 6.020 ( 0.000 -9.694 -15.971) 18.683 6.385 ( 0.000 1.719 1.685) 2.407 6.424 ( 0.000 0.606 -2.182) 2.264 7.409 ( 0.000 -9.434 6.722) 11.584 7.512 ( 0.000 -7.100 -4.096) 8.197 7.754 ( 0.000 14.543 4.905) 15.348 7.806 ( 0.000 -3.237 6.823) 7.552 7.833 ( 0.000 13.047 -3.184) 13.430 7.917 ( 0.000 -4.732 -3.639) 5.970 8.066 ( 0.000 -1.384 6.504) 6.650 8.184 ( 0.000 0.114 -4.071) 4.073 8.603 ( 0.000 -1.264 5.139) 5.292 8.643 ( 0.000 -0.764 1.366) 1.565 10.517 ( 0.000 6.628 3.633) 7.559 10.576 ( 0.000 6.215 -2.226) 6.602 11.046 ( 0.000 1.195 2.026) 2.352 11.084 ( 0.000 0.622 -1.771) 1.877 12.050 ( 0.000 0.266 6.855) 6.860 12.173 ( 0.000 0.474 -5.148) 5.170 12.630 ( 0.000 -1.065 7.657) 7.731 12.789 ( 0.000 -2.329 -8.074) 8.403 12.801 ( 0.000 2.001 6.183) 6.499 12.922 ( 0.000 0.678 -5.676) 5.717 22.508 ( 0.000 -0.051 5.224) 5.225 22.619 ( 0.000 -0.688 -5.805) 5.846 22.727 ( 0.000 1.776 2.980) 3.469 22.781 ( 0.000 1.004 -2.326) 2.533 23.148 ( 0.000 4.138 4.381) 6.026 23.244 ( 0.000 6.340 -4.906) 8.016 23.914 ( 0.000 -3.138 8.338) 8.909 24.063 ( 0.000 -5.114 -6.657) 8.395 ======================= Grid point 267 (90/100) ======================= q-point: ( 0.14 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -2.016 5.885 12.872) 14.297 2.085 ( 5.578 6.656 2.550) 9.051 2.248 ( 7.799 5.375 -1.868) 9.654 2.406 ( 1.738 7.679 -15.160) 17.083 2.671 ( 1.435 8.461 11.354) 14.232 2.764 ( 4.195 3.372 -2.245) 5.831 2.903 ( 3.496 6.503 -12.225) 14.282 2.945 ( 10.187 3.658 -15.916) 19.248 3.553 ( -0.767 -0.785 7.745) 7.822 3.639 ( -0.761 6.811 1.772) 7.079 3.871 ( 6.247 2.856 4.864) 8.417 4.013 ( 9.946 -6.360 -10.044) 15.500 4.962 ( -2.888 -5.113 5.113) 7.786 5.087 ( -1.683 -6.101 -6.856) 9.331 5.392 ( 9.690 -10.772 5.926) 15.654 5.512 ( 11.452 -12.058 -4.830) 17.317 5.765 ( -6.560 -4.644 1.855) 8.249 5.951 ( -5.210 -5.715 -14.717) 16.625 6.375 ( -1.670 -4.262 1.157) 4.721 6.415 ( -1.556 -5.375 -2.959) 6.330 7.407 ( -1.086 -5.511 6.265) 8.414 7.498 ( -2.152 -3.852 -3.285) 5.501 7.597 ( -10.785 5.049 5.801) 13.246 7.685 ( -8.584 5.496 -2.288) 10.446 7.909 ( 2.744 3.678 2.058) 5.029 7.949 ( 1.859 3.473 -1.257) 4.135 8.073 ( 0.659 -0.849 5.813) 5.912 8.172 ( -0.959 0.345 -2.980) 3.149 8.625 ( 1.958 -1.254 4.541) 5.102 8.661 ( 1.556 -0.905 1.228) 2.179 10.498 ( -1.656 5.877 3.444) 7.010 10.553 ( -2.025 5.363 -1.979) 6.065 11.057 ( 0.623 0.069 1.771) 1.878 11.090 ( 0.584 -0.652 -1.518) 1.753 12.063 ( 1.274 1.151 5.542) 5.802 12.155 ( -1.298 0.798 -3.395) 3.721 12.573 ( -4.461 -0.011 6.794) 8.127 12.688 ( -4.862 1.508 -3.297) 6.065 12.900 ( 4.893 -1.148 1.719) 5.312 12.986 ( 4.629 -0.107 -5.496) 7.187 22.514 ( 0.624 0.910 4.346) 4.484 22.601 ( -0.791 1.259 -4.166) 4.424 22.756 ( 2.432 1.421 4.245) 5.095 22.844 ( 5.004 0.475 -4.399) 6.679 23.143 ( -0.446 3.545 4.279) 5.574 23.238 ( -0.466 5.842 -4.986) 7.694 23.895 ( -1.726 -3.406 7.810) 8.693 24.031 ( -2.992 -5.220 -5.897) 8.425 ======================= Grid point 268 (91/100) ======================= q-point: ( 0.29 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -0.815 4.930 9.744) 10.951 2.078 ( -4.456 7.178 -7.479) 11.283 2.382 ( 5.745 3.953 10.119) 12.289 2.546 ( 7.588 6.007 -0.899) 9.719 2.747 ( 5.220 9.831 10.156) 15.068 2.836 ( 3.711 8.198 -2.504) 9.341 2.989 ( 4.808 8.964 -13.144) 16.620 3.124 ( 4.415 8.594 -25.866) 27.612 3.577 ( 1.484 -1.454 4.278) 4.756 3.623 ( -1.676 -2.883 -1.175) 3.536 4.076 ( 15.232 -2.684 8.663) 17.728 4.228 ( 12.321 -3.757 -7.505) 14.907 5.021 ( 7.561 -5.029 5.183) 10.456 5.165 ( 7.019 -8.032 -8.212) 13.462 5.465 ( -3.435 -2.467 0.371) 4.245 5.520 ( -7.007 -2.120 -4.201) 8.441 5.830 ( 8.949 -9.434 1.889) 13.140 5.899 ( 1.013 -7.532 -5.076) 9.139 6.314 ( -3.077 -10.103 1.311) 10.643 6.373 ( -0.236 -10.472 -4.978) 11.598 7.225 ( -16.807 4.182 6.227) 18.404 7.306 ( -15.839 2.450 -1.576) 16.104 7.504 ( 0.819 -1.877 3.763) 4.284 7.582 ( -1.004 -1.126 -3.674) 3.972 7.929 ( -0.259 4.769 3.560) 5.957 7.978 ( 0.883 7.065 -1.280) 7.234 8.091 ( 0.965 0.738 4.549) 4.708 8.155 ( -0.543 1.221 -1.371) 1.914 8.670 ( 2.202 -1.321 3.445) 4.297 8.695 ( 1.501 -1.176 1.185) 2.245 10.461 ( -1.795 4.178 3.061) 5.481 10.507 ( -2.238 3.645 -1.479) 4.526 11.057 ( -0.480 -3.144 2.267) 3.906 11.106 ( 0.762 -3.204 -2.564) 4.174 12.095 ( 1.394 2.721 3.727) 4.820 12.145 ( 0.794 2.192 -0.934) 2.512 12.484 ( -3.831 1.603 6.924) 8.074 12.602 ( -3.606 3.385 -4.010) 6.367 12.986 ( 3.360 -1.913 2.151) 4.425 13.070 ( 3.245 -0.856 -5.450) 6.400 22.533 ( 1.215 2.628 3.632) 4.645 22.603 ( 0.730 3.910 -3.045) 5.010 22.807 ( 2.231 1.568 6.209) 6.782 22.944 ( 4.107 2.136 -7.146) 8.514 23.134 ( -0.348 1.477 4.292) 4.552 23.229 ( -0.314 4.013 -5.094) 6.493 23.857 ( -1.618 -4.149 6.187) 7.623 23.955 ( -4.069 -5.471 -3.755) 7.784 ======================= Grid point 269 (92/100) ======================= q-point: ( 0.43 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 253 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.471 3.866 5.199) 6.496 1.990 ( -3.070 5.619 -4.117) 7.612 2.463 ( 2.063 6.094 16.704) 17.900 2.637 ( 1.663 6.588 8.545) 10.918 2.846 ( 3.703 8.463 3.129) 9.753 2.918 ( 3.003 10.054 -1.674) 10.625 3.075 ( 3.137 12.573 -16.656) 21.103 3.133 ( -1.835 12.510 -24.398) 27.480 3.548 ( -1.779 -7.681 -0.044) 7.884 3.586 ( -2.305 -6.570 -4.440) 8.258 4.444 ( 16.911 -3.416 5.369) 18.069 4.515 ( 12.067 -1.788 -2.130) 12.383 5.076 ( -5.676 -2.408 -0.513) 6.187 5.128 ( -8.733 -1.132 -5.603) 10.438 5.458 ( 6.845 -5.808 2.702) 9.375 5.578 ( 10.656 -10.880 -8.309) 17.348 5.787 ( -8.105 -10.586 4.985) 14.234 5.904 ( -6.066 -14.008 -6.082) 16.432 6.392 ( 11.291 -1.781 5.619) 12.737 6.503 ( 11.395 -3.299 -5.067) 12.899 6.854 ( -16.939 0.688 5.653) 17.870 6.950 ( -16.543 -0.988 -3.291) 16.896 7.536 ( 1.487 -0.830 2.345) 2.899 7.575 ( -0.360 -0.760 -1.391) 1.626 7.916 ( -0.599 6.876 5.099) 8.581 7.988 ( 0.173 7.347 -1.850) 7.578 8.106 ( 0.459 2.132 3.413) 4.051 8.148 ( -0.174 2.259 -0.626) 2.350 8.706 ( 1.172 -1.387 2.392) 3.003 8.715 ( 0.299 -1.351 1.587) 2.105 10.434 ( -0.717 2.698 2.661) 3.857 10.472 ( -0.980 2.432 -1.065) 2.830 11.047 ( -0.330 -5.357 2.814) 6.060 11.115 ( 0.177 -5.684 -3.943) 6.920 12.114 ( 0.577 3.580 4.594) 5.853 12.174 ( 1.199 3.534 -1.161) 3.908 12.430 ( -1.294 3.115 6.790) 7.582 12.545 ( -1.726 4.407 -3.716) 6.017 13.032 ( 1.147 -2.299 2.027) 3.272 13.113 ( 1.044 -1.322 -5.379) 5.637 22.558 ( 0.920 4.119 3.488) 5.475 22.617 ( 0.389 5.320 -1.872) 5.653 22.839 ( 0.843 2.200 6.291) 6.717 22.992 ( 0.770 6.039 -8.228) 10.235 23.135 ( 0.311 -1.606 3.847) 4.181 23.227 ( 0.037 1.684 -5.001) 5.277 23.842 ( 0.385 -5.046 3.403) 6.099 23.881 ( -2.828 -5.537 -0.574) 6.244 ======================= Grid point 273 (93/100) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 0.000 5.720 7.583) 9.499 2.074 ( 0.000 3.006 22.182) 22.385 2.285 ( 0.000 7.212 -12.645) 14.557 2.554 ( 0.000 2.690 -17.088) 17.298 2.715 ( 0.000 -0.783 -1.355) 1.565 2.783 ( 0.000 4.777 7.326) 8.746 2.795 ( 0.000 -0.476 -5.405) 5.426 2.970 ( 0.000 -0.188 -9.959) 9.961 3.255 ( 0.000 -11.982 10.313) 15.809 3.521 ( 0.000 -14.876 -14.962) 21.098 4.133 ( 0.000 18.593 6.380) 19.657 4.223 ( 0.000 15.008 -2.588) 15.229 5.032 ( 0.000 4.767 3.818) 6.107 5.037 ( 0.000 -5.151 3.417) 6.181 5.118 ( 0.000 4.426 -4.481) 6.298 5.135 ( 0.000 -6.320 -5.748) 8.543 5.665 ( 0.000 -9.159 -0.957) 9.208 5.799 ( 0.000 -11.876 -13.253) 17.795 6.406 ( 0.000 0.520 0.913) 1.051 6.427 ( 0.000 -0.074 -1.221) 1.223 7.176 ( 0.000 -11.360 6.475) 13.076 7.301 ( 0.000 -12.216 -6.026) 13.621 7.749 ( 0.000 -1.668 6.276) 6.494 7.846 ( 0.000 -1.598 -3.460) 3.811 8.008 ( 0.000 9.299 2.938) 9.752 8.044 ( 0.000 -0.764 8.010) 8.046 8.050 ( 0.000 7.325 -1.452) 7.467 8.190 ( 0.000 0.238 -5.444) 5.449 8.578 ( 0.000 -0.981 5.656) 5.741 8.628 ( 0.000 -0.630 1.005) 1.187 10.648 ( 0.000 5.369 3.309) 6.307 10.687 ( 0.000 3.851 -0.503) 3.884 11.071 ( 0.000 1.136 1.505) 1.885 11.094 ( 0.000 0.234 -0.747) 0.783 12.076 ( 0.000 1.870 6.607) 6.867 12.183 ( 0.000 0.299 -3.746) 3.757 12.612 ( 0.000 -0.636 6.061) 6.094 12.743 ( 0.000 -1.870 -6.960) 7.207 12.837 ( 0.000 1.413 3.864) 4.114 12.922 ( 0.000 -0.570 -4.533) 4.569 22.507 ( 0.000 -0.010 4.632) 4.632 22.606 ( 0.000 -0.513 -5.159) 5.184 22.760 ( 0.000 1.359 2.086) 2.490 22.793 ( 0.000 0.158 -1.142) 1.152 23.232 ( 0.000 3.459 6.251) 7.144 23.364 ( 0.000 4.680 -6.274) 7.827 23.860 ( 0.000 -1.701 5.861) 6.103 23.960 ( 0.000 -4.511 -4.518) 6.385 ======================= Grid point 274 (94/100) ======================= q-point: ( 0.14 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -2.105 5.005 21.073) 21.762 2.182 ( 6.170 3.120 9.069) 11.404 2.393 ( 6.526 8.405 -11.051) 15.342 2.530 ( 2.829 4.411 -13.926) 14.879 2.779 ( 3.625 0.728 7.726) 8.566 2.814 ( 5.800 1.932 -1.696) 6.344 2.945 ( 8.495 0.542 -11.171) 14.044 3.026 ( 8.474 2.149 -9.462) 12.882 3.318 ( 6.093 -11.912 10.387) 16.939 3.571 ( 4.494 -11.208 -13.351) 18.002 4.110 ( -1.904 14.759 5.406) 15.832 4.187 ( -2.867 11.601 -2.597) 12.229 4.896 ( -3.745 -0.603 2.462) 4.522 4.978 ( -2.238 -3.843 -5.284) 6.906 5.290 ( 10.203 1.394 1.649) 10.429 5.362 ( 13.293 -0.686 -3.854) 13.858 5.644 ( -0.889 -6.588 1.387) 6.791 5.805 ( 1.426 -8.775 -13.012) 15.759 6.277 ( -10.758 -4.719 1.627) 11.860 6.310 ( -10.206 -4.374 -1.659) 11.227 7.260 ( 6.428 -7.101 5.204) 10.901 7.359 ( 4.551 -8.735 -4.765) 10.941 7.636 ( -10.492 0.454 5.791) 11.993 7.732 ( -10.314 0.421 -3.740) 10.979 8.002 ( -0.281 3.368 6.888) 7.672 8.069 ( 1.317 3.524 2.558) 4.549 8.079 ( 2.505 4.249 0.411) 4.949 8.178 ( -0.670 0.317 -4.274) 4.338 8.601 ( 2.008 -0.902 4.769) 5.253 8.644 ( 1.383 -0.670 0.926) 1.794 10.614 ( -2.987 4.742 3.003) 6.358 10.649 ( -3.391 3.311 -0.334) 4.751 11.059 ( -1.857 0.107 1.163) 2.194 11.080 ( -0.877 -0.211 -0.845) 1.236 12.106 ( 2.706 2.509 4.857) 6.099 12.174 ( -0.402 0.693 -1.806) 1.976 12.569 ( -3.349 -0.278 6.534) 7.347 12.699 ( -2.849 -0.216 -5.853) 6.513 12.891 ( 3.811 0.304 2.792) 4.734 12.973 ( 3.802 -1.089 -4.791) 6.212 22.531 ( 2.204 0.631 4.870) 5.382 22.629 ( 2.257 1.193 -4.654) 5.308 22.780 ( 1.780 1.037 3.116) 3.735 22.836 ( 3.874 -1.011 -2.361) 4.648 23.221 ( -1.086 3.328 5.919) 6.876 23.353 ( -1.006 4.654 -6.698) 8.217 23.835 ( -2.238 -1.913 5.538) 6.272 23.925 ( -3.188 -4.602 -3.856) 6.797 ======================= Grid point 275 (95/100) ======================= q-point: ( 0.29 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -1.094 5.261 20.856) 21.537 2.188 ( -4.265 2.836 6.128) 7.987 2.528 ( 7.447 10.222 -1.087) 12.693 2.667 ( 6.452 5.802 -10.816) 13.867 2.883 ( 5.523 1.930 5.278) 7.879 2.917 ( 4.389 -0.014 -4.730) 6.453 3.112 ( 8.596 3.619 -9.442) 13.272 3.249 ( 8.197 2.742 -14.205) 16.628 3.509 ( 11.575 -4.080 6.807) 14.035 3.653 ( 1.466 2.935 -7.618) 8.294 4.108 ( 3.222 3.222 3.357) 5.660 4.177 ( 5.129 -0.293 -4.029) 6.529 4.890 ( 2.382 -6.061 3.461) 7.375 4.994 ( 3.056 -6.670 -6.769) 9.982 5.409 ( 1.065 -1.368 -1.350) 2.197 5.463 ( -3.322 -2.657 -6.100) 7.437 5.750 ( 5.698 0.894 3.147) 6.571 5.835 ( -4.804 -0.000 -5.409) 7.234 6.104 ( -0.401 -9.214 1.484) 9.341 6.146 ( 3.185 -10.682 -2.892) 11.516 7.295 ( -13.011 2.299 4.835) 14.069 7.353 ( -11.038 0.844 -0.297) 11.074 7.453 ( 0.359 -2.136 1.506) 2.638 7.516 ( -3.267 -3.671 -3.547) 6.060 8.001 ( 0.140 1.329 7.489) 7.607 8.072 ( -0.839 1.927 1.795) 2.764 8.137 ( 2.748 3.621 0.426) 4.565 8.180 ( 0.829 1.534 -2.420) 2.983 8.646 ( 2.145 -0.859 3.290) 4.020 8.674 ( 1.319 -0.777 0.909) 1.781 10.544 ( -3.516 3.420 2.483) 5.498 10.571 ( -3.781 2.175 -0.094) 4.363 11.006 ( -2.712 -1.663 1.531) 3.531 11.051 ( -2.026 -1.893 -2.779) 3.925 12.161 ( 1.939 3.012 3.335) 4.894 12.196 ( 2.952 2.371 0.114) 3.788 12.507 ( -2.299 0.704 7.668) 8.036 12.645 ( -2.543 0.763 -5.272) 5.903 12.962 ( 2.861 -0.209 2.299) 3.676 13.042 ( 2.609 -1.747 -5.007) 5.910 22.590 ( 3.411 2.584 5.444) 6.925 22.690 ( 3.339 4.129 -4.230) 6.789 22.821 ( 1.875 0.173 6.039) 6.325 22.930 ( 4.764 -2.834 -4.344) 7.042 23.193 ( -1.376 3.220 4.255) 5.511 23.322 ( -2.101 4.238 -7.663) 9.006 23.783 ( -2.526 -2.550 4.648) 5.872 23.845 ( -4.219 -4.737 -1.959) 6.639 ======================= Grid point 276 (96/100) ======================= q-point: ( 0.43 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.434 5.864 17.048) 18.034 2.099 ( -3.189 3.459 10.371) 11.388 2.647 ( 3.531 11.686 0.602) 12.223 2.747 ( 1.534 4.802 -3.327) 6.040 2.962 ( 1.951 -2.561 -3.135) 4.494 3.000 ( 2.899 4.109 -0.776) 5.088 3.240 ( 3.263 2.321 -11.401) 12.084 3.344 ( 2.196 2.737 -10.291) 10.873 3.602 ( -1.861 14.428 -2.891) 14.832 3.666 ( 1.072 13.498 -6.685) 15.101 4.281 ( 11.462 -12.324 4.834) 17.511 4.360 ( 6.428 -13.030 -2.596) 14.760 4.953 ( 3.386 -6.399 2.009) 7.513 5.040 ( -0.394 -6.754 -6.418) 9.325 5.387 ( -0.897 -1.651 -3.324) 3.818 5.407 ( -0.645 -3.753 -4.993) 6.279 5.615 ( -9.636 -5.810 0.191) 11.254 5.647 ( -8.162 -9.645 -2.533) 12.887 6.380 ( 19.674 0.232 3.912) 20.060 6.446 ( 18.588 -1.873 -2.380) 18.834 6.914 ( -19.056 3.442 4.116) 19.797 6.984 ( -20.443 2.852 -2.425) 20.784 7.504 ( 2.099 -1.694 1.594) 3.133 7.533 ( 0.777 -2.724 -1.090) 3.035 8.006 ( 0.247 1.812 6.733) 6.976 8.051 ( -0.791 0.158 3.194) 3.294 8.180 ( 1.272 3.741 -0.395) 3.971 8.196 ( 0.409 2.410 -1.252) 2.747 8.681 ( 1.149 -0.879 2.065) 2.521 8.691 ( 0.229 -0.857 1.246) 1.530 10.488 ( -1.583 2.294 2.168) 3.531 10.512 ( -1.621 1.270 -0.150) 2.065 10.966 ( -1.018 -2.299 0.986) 2.701 11.013 ( -1.253 -3.878 -3.582) 5.426 12.196 ( 1.303 3.763 4.623) 6.102 12.246 ( 1.200 2.746 0.031) 2.997 12.486 ( 0.115 2.515 6.496) 6.967 12.598 ( -1.703 0.591 -3.526) 3.960 13.001 ( 1.003 -0.319 1.632) 1.942 13.075 ( 0.729 -2.301 -4.919) 5.480 22.655 ( 2.292 4.928 5.312) 7.600 22.740 ( 1.160 6.337 -2.615) 6.953 22.848 ( 0.728 -1.244 8.374) 8.497 23.005 ( 2.062 -4.203 -4.303) 6.358 23.179 ( 0.143 4.630 -0.505) 4.660 23.274 ( -2.042 2.443 -7.599) 8.239 23.749 ( -0.468 -3.473 3.162) 4.721 23.773 ( -2.489 -4.451 0.627) 5.138 ======================= Grid point 280 (97/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 0.000 0.000 26.040) 26.040 2.131 ( 0.000 0.000 7.310) 7.310 2.379 ( 0.000 -0.000 -17.236) 17.236 2.574 ( 0.000 0.000 -7.378) 7.378 2.684 ( 0.000 0.000 3.261) 3.261 2.776 ( 0.000 0.000 -2.337) 2.337 2.898 ( 0.000 0.000 -1.530) 1.530 2.901 ( 0.000 -0.000 -10.649) 10.649 3.145 ( 0.000 0.000 5.441) 5.441 3.345 ( 0.000 0.000 -12.216) 12.216 4.305 ( 0.000 -0.000 3.186) 3.186 4.374 ( 0.000 0.000 -1.959) 1.959 4.987 ( 0.000 0.000 2.015) 2.015 5.067 ( 0.000 0.000 -5.285) 5.285 5.153 ( 0.000 0.000 4.578) 4.578 5.274 ( 0.000 -0.000 -5.070) 5.070 5.557 ( 0.000 0.000 -6.226) 6.226 5.578 ( 0.000 0.000 -6.403) 6.403 6.411 ( 0.000 0.000 0.637) 0.637 6.426 ( 0.000 -0.000 -0.875) 0.875 7.042 ( 0.000 0.000 4.411) 4.411 7.140 ( 0.000 -0.000 -5.092) 5.092 7.734 ( 0.000 0.000 6.071) 6.071 7.833 ( 0.000 0.000 -4.222) 4.222 8.036 ( 0.000 0.000 8.721) 8.721 8.116 ( 0.000 0.000 0.638) 0.638 8.118 ( 0.000 -0.000 0.682) 0.682 8.192 ( 0.000 0.000 -5.941) 5.941 8.567 ( 0.000 0.000 5.902) 5.902 8.621 ( 0.000 0.000 0.895) 0.895 10.715 ( 0.000 0.000 2.004) 2.004 10.721 ( 0.000 -0.000 1.511) 1.511 11.087 ( 0.000 -0.000 0.821) 0.821 11.094 ( 0.000 0.000 0.176) 0.176 12.102 ( 0.000 0.000 5.750) 5.750 12.184 ( 0.000 0.000 -2.330) 2.330 12.605 ( 0.000 0.000 5.230) 5.230 12.722 ( 0.000 0.000 -6.356) 6.356 12.854 ( 0.000 0.000 2.231) 2.231 12.912 ( 0.000 0.000 -3.590) 3.590 22.507 ( 0.000 0.000 4.364) 4.364 22.600 ( 0.000 0.000 -4.869) 4.869 22.778 ( 0.000 0.000 1.235) 1.235 22.792 ( 0.000 0.000 -0.204) 0.204 23.271 ( 0.000 0.000 7.017) 7.017 23.415 ( 0.000 0.000 -6.487) 6.487 23.848 ( 0.000 0.000 3.691) 3.691 23.903 ( 0.000 0.000 -2.804) 2.804 ======================= Grid point 282 (98/100) ======================= q-point: ( 0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( -1.978 0.000 27.279) 27.350 2.216 ( 4.598 0.000 8.539) 9.698 2.536 ( 12.366 -0.000 -21.124) 24.477 2.556 ( 2.423 0.000 -4.556) 5.161 2.770 ( 5.117 0.000 0.359) 5.129 2.804 ( 2.257 0.000 -0.417) 2.296 2.977 ( 7.839 0.000 -9.874) 12.607 3.031 ( 13.096 -0.000 -3.948) 13.678 3.195 ( 5.119 0.000 7.954) 9.459 3.423 ( 7.727 0.000 -12.023) 14.292 4.274 ( -2.883 -0.000 0.930) 3.029 4.294 ( -6.984 0.000 0.181) 6.987 4.907 ( -6.907 0.000 -0.762) 6.949 4.936 ( -2.438 0.000 -3.840) 4.548 5.363 ( 8.998 0.000 0.804) 9.034 5.428 ( 7.325 -0.000 -2.815) 7.847 5.584 ( 7.289 -0.000 -4.749) 8.700 5.612 ( 6.105 0.000 -4.961) 7.867 6.219 ( -15.284 0.000 1.583) 15.366 6.257 ( -14.337 0.000 -2.145) 14.496 7.181 ( 10.156 0.000 2.749) 10.521 7.241 ( 7.634 -0.000 -2.986) 8.197 7.641 ( -9.222 0.000 5.466) 10.721 7.737 ( -9.424 -0.000 -4.275) 10.348 8.020 ( -1.070 0.000 8.924) 8.988 8.117 ( -0.536 0.000 0.836) 0.993 8.137 ( 1.848 0.000 0.601) 1.943 8.183 ( -0.112 0.000 -4.609) 4.610 8.591 ( 2.078 0.000 4.892) 5.315 8.637 ( 1.352 0.000 0.841) 1.593 10.674 ( -3.649 0.000 1.719) 4.033 10.676 ( -3.851 -0.000 1.570) 4.159 11.060 ( -3.075 0.000 1.037) 3.245 11.079 ( -1.127 0.000 -0.769) 1.364 12.140 ( 3.469 0.000 3.791) 5.138 12.178 ( -0.106 0.000 -0.313) 0.331 12.566 ( -3.022 0.000 6.339) 7.023 12.694 ( -2.093 0.000 -5.915) 6.275 12.900 ( 3.485 0.000 1.513) 3.800 12.955 ( 3.344 -0.000 -3.781) 5.048 22.538 ( 2.948 0.000 5.181) 5.961 22.642 ( 3.895 0.000 -4.974) 6.318 22.797 ( 1.803 0.000 1.500) 2.346 22.817 ( 2.288 0.000 -0.389) 2.321 23.259 ( -1.183 0.000 6.597) 6.702 23.406 ( -0.989 0.000 -7.131) 7.199 23.821 ( -2.431 0.000 3.425) 4.200 23.867 ( -3.335 0.000 -2.075) 3.928 ======================= Grid point 284 (99/100) ======================= q-point: ( 0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -0.620 -0.000 27.151) 27.158 2.209 ( -3.851 0.000 12.166) 12.761 2.699 ( 8.360 0.000 -7.854) 11.471 2.749 ( 6.911 0.000 -20.336) 21.478 2.867 ( 4.774 0.000 -1.600) 5.035 2.873 ( 4.491 -0.000 -2.983) 5.392 3.166 ( 8.784 0.000 -3.061) 9.302 3.271 ( 6.589 -0.000 -3.247) 7.345 3.459 ( 21.814 0.000 6.469) 22.753 3.657 ( 14.178 0.000 -11.390) 18.186 4.136 ( -7.526 -0.000 2.249) 7.855 4.205 ( -3.411 0.000 -4.335) 5.516 4.827 ( -0.868 0.000 2.271) 2.431 4.922 ( 0.946 0.000 -6.959) 7.024 5.407 ( -1.725 -0.000 -3.571) 3.966 5.431 ( -2.765 0.000 -5.238) 5.923 5.796 ( -6.105 -0.000 2.860) 6.741 5.854 ( -4.565 0.000 -3.147) 5.545 5.989 ( 9.176 -0.000 -0.325) 9.182 5.995 ( 8.724 0.000 -0.794) 8.760 7.322 ( -10.642 0.000 3.230) 11.121 7.339 ( 0.123 0.000 1.021) 1.028 7.429 ( -0.825 0.000 1.186) 1.445 7.485 ( -10.579 -0.000 -3.863) 11.263 8.007 ( -0.030 0.000 8.376) 8.376 8.088 ( -1.970 0.000 1.582) 2.527 8.182 ( 2.301 0.000 0.192) 2.309 8.202 ( 1.522 0.000 -2.269) 2.732 8.637 ( 2.153 0.000 3.246) 3.895 8.666 ( 1.268 0.000 0.843) 1.522 10.586 ( -4.429 0.000 1.510) 4.679 10.589 ( -4.224 -0.000 1.262) 4.408 10.989 ( -3.257 0.000 1.138) 3.450 11.032 ( -3.294 0.000 -2.873) 4.371 12.195 ( 1.856 0.000 3.090) 3.605 12.224 ( 4.073 0.000 0.675) 4.129 12.515 ( -1.423 0.000 7.765) 7.894 12.648 ( -2.497 0.000 -4.753) 5.369 12.968 ( 2.929 0.000 0.457) 2.964 13.015 ( 2.062 -0.000 -3.785) 4.310 22.622 ( 5.063 0.000 6.669) 8.373 22.739 ( 4.907 0.000 -3.885) 6.259 22.841 ( 2.116 -0.000 1.956) 2.881 22.870 ( 2.434 0.000 -0.428) 2.471 23.231 ( -1.152 0.000 4.099) 4.257 23.371 ( -2.480 0.000 -8.733) 9.078 23.762 ( -2.996 0.000 2.878) 4.154 23.784 ( -4.217 0.000 0.008) 4.217 ======================= Grid point 286 (100/100) ======================= q-point: ( 0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 1.782 -0.000 23.409) 23.476 2.122 ( -4.036 0.000 17.701) 18.155 2.817 ( 3.134 0.000 -8.851) 9.390 2.831 ( 1.687 0.000 -10.300) 10.437 2.948 ( 2.329 0.001 -7.510) 7.863 2.949 ( 2.131 -0.001 -10.484) 10.698 3.305 ( 4.813 0.000 1.989) 5.207 3.350 ( 0.834 -0.000 0.950) 1.264 3.867 ( 13.324 0.000 -4.075) 13.933 3.888 ( 6.270 0.000 -7.188) 9.539 4.034 ( -0.248 -0.000 3.381) 3.390 4.141 ( -4.120 0.000 -5.607) 6.958 4.881 ( 5.836 0.000 1.696) 6.078 4.953 ( 0.646 0.000 -5.262) 5.301 5.368 ( -1.404 0.000 -4.974) 5.169 5.376 ( -2.131 0.000 -5.463) 5.864 5.543 ( -9.477 0.000 0.162) 9.478 5.559 ( -11.598 0.000 -1.621) 11.711 6.386 ( 21.001 -0.000 2.950) 21.207 6.427 ( 21.195 0.000 -0.767) 21.209 6.954 ( -18.571 0.000 3.671) 18.931 7.019 ( -20.645 0.000 -2.432) 20.788 7.489 ( 2.134 0.000 0.404) 2.172 7.492 ( 1.934 -0.000 0.083) 1.936 8.018 ( 1.049 0.000 6.607) 6.690 8.048 ( -1.840 0.000 4.046) 4.445 8.220 ( 1.229 0.000 -0.346) 1.277 8.227 ( 0.599 0.000 -1.108) 1.259 8.672 ( 1.155 -0.000 1.924) 2.244 8.682 ( 0.197 0.000 1.133) 1.150 10.518 ( -1.816 0.000 1.221) 2.188 10.521 ( -2.039 0.000 0.925) 2.239 10.948 ( -0.570 0.000 -0.620) 0.843 10.968 ( -2.432 -0.000 -2.567) 3.536 12.243 ( 2.375 0.000 4.151) 4.782 12.271 ( 0.161 0.000 1.747) 1.754 12.525 ( 2.429 0.000 4.437) 5.058 12.589 ( -3.281 -0.000 -1.356) 3.550 13.015 ( 1.648 0.000 -1.255) 2.071 13.034 ( -0.114 -0.000 -2.935) 2.938 22.729 ( 5.042 0.000 6.964) 8.597 22.796 ( -0.520 0.000 2.915) 2.961 22.879 ( 1.882 -0.000 0.242) 1.898 22.900 ( 0.258 0.000 -0.199) 0.326 23.235 ( 2.023 0.000 -2.940) 3.569 23.304 ( -3.960 -0.000 -8.692) 9.551 23.715 ( -1.301 0.000 2.573) 2.884 23.719 ( -1.808 0.000 2.046) 2.730 =================== 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 3/24192 10.0 1665.128 1303.325 1493.322 0.000 0.000 0.000 3/24192 20.0 298.526 194.127 264.323 0.000 0.000 0.000 3/24192 30.0 132.973 79.773 118.437 0.000 0.000 0.000 3/24192 40.0 75.548 44.818 70.275 0.000 0.000 0.000 3/24192 50.0 48.964 29.221 47.298 0.000 0.000 0.000 3/24192 60.0 34.791 20.927 34.529 0.000 0.000 0.000 3/24192 70.0 26.413 15.995 26.714 0.000 0.000 0.000 3/24192 80.0 21.047 12.815 21.573 0.000 0.000 0.000 3/24192 90.0 17.388 10.632 17.996 0.000 0.000 0.000 3/24192 100.0 14.766 9.058 15.393 0.000 0.000 0.000 3/24192 110.0 12.811 7.879 13.429 0.000 0.000 0.000 3/24192 120.0 11.305 6.968 11.903 0.000 0.000 0.000 3/24192 130.0 10.114 6.244 10.686 0.000 0.000 0.000 3/24192 140.0 9.152 5.657 9.696 0.000 0.000 0.000 3/24192 150.0 8.358 5.172 8.876 0.000 0.000 0.000 3/24192 160.0 7.694 4.765 8.187 0.000 0.000 0.000 3/24192 170.0 7.131 4.419 7.600 0.000 0.000 0.000 3/24192 180.0 6.647 4.122 7.094 0.000 0.000 0.000 3/24192 190.0 6.227 3.863 6.654 0.000 0.000 0.000 3/24192 200.0 5.859 3.635 6.268 0.000 0.000 0.000 3/24192 210.0 5.534 3.434 5.925 0.000 0.000 0.000 3/24192 220.0 5.246 3.255 5.620 0.000 0.000 0.000 3/24192 230.0 4.987 3.095 5.347 0.000 0.000 0.000 3/24192 240.0 4.754 2.950 5.100 0.000 0.000 0.000 3/24192 250.0 4.543 2.819 4.876 0.000 0.000 0.000 3/24192 260.0 4.351 2.699 4.672 0.000 0.000 0.000 3/24192 270.0 4.175 2.590 4.485 0.000 0.000 0.000 3/24192 280.0 4.014 2.490 4.313 0.000 0.000 0.000 3/24192 290.0 3.865 2.397 4.155 0.000 0.000 0.000 3/24192 300.0 3.728 2.311 4.009 0.000 0.000 0.000 3/24192 310.0 3.601 2.232 3.873 0.000 0.000 0.000 3/24192 320.0 3.482 2.158 3.746 0.000 0.000 0.000 3/24192 330.0 3.371 2.089 3.628 0.000 0.000 0.000 3/24192 340.0 3.268 2.024 3.517 0.000 0.000 0.000 3/24192 350.0 3.171 1.964 3.413 0.000 0.000 0.000 3/24192 360.0 3.080 1.907 3.315 0.000 0.000 0.000 3/24192 370.0 2.994 1.853 3.223 0.000 0.000 0.000 3/24192 380.0 2.913 1.803 3.137 0.000 0.000 0.000 3/24192 390.0 2.836 1.755 3.054 0.000 0.000 0.000 3/24192 400.0 2.764 1.709 2.977 0.000 0.000 0.000 3/24192 410.0 2.695 1.667 2.903 0.000 0.000 0.000 3/24192 420.0 2.630 1.626 2.833 0.000 0.000 0.000 3/24192 430.0 2.567 1.587 2.766 0.000 0.000 0.000 3/24192 440.0 2.508 1.550 2.703 0.000 0.000 0.000 3/24192 450.0 2.452 1.515 2.642 0.000 0.000 0.000 3/24192 460.0 2.398 1.481 2.584 0.000 0.000 0.000 3/24192 470.0 2.346 1.449 2.529 0.000 0.000 0.000 3/24192 480.0 2.297 1.419 2.476 0.000 0.000 0.000 3/24192 490.0 2.250 1.389 2.425 0.000 0.000 0.000 3/24192 500.0 2.205 1.361 2.377 0.000 0.000 0.000 3/24192 510.0 2.161 1.334 2.330 0.000 0.000 0.000 3/24192 520.0 2.119 1.308 2.285 0.000 0.000 0.000 3/24192 530.0 2.079 1.283 2.242 0.000 0.000 0.000 3/24192 540.0 2.041 1.259 2.200 0.000 0.000 0.000 3/24192 550.0 2.003 1.236 2.161 0.000 0.000 0.000 3/24192 560.0 1.968 1.214 2.122 0.000 0.000 0.000 3/24192 570.0 1.933 1.192 2.085 0.000 0.000 0.000 3/24192 580.0 1.900 1.171 2.049 0.000 0.000 0.000 3/24192 590.0 1.868 1.151 2.014 0.000 0.000 0.000 3/24192 600.0 1.836 1.132 1.981 0.000 0.000 0.000 3/24192 610.0 1.806 1.113 1.949 0.000 0.000 0.000 3/24192 620.0 1.777 1.095 1.917 0.000 0.000 0.000 3/24192 630.0 1.749 1.078 1.887 0.000 0.000 0.000 3/24192 640.0 1.722 1.061 1.858 0.000 0.000 0.000 3/24192 650.0 1.695 1.045 1.829 0.000 0.000 0.000 3/24192 660.0 1.670 1.029 1.802 0.000 0.000 0.000 3/24192 670.0 1.645 1.013 1.775 0.000 0.000 0.000 3/24192 680.0 1.621 0.998 1.749 0.000 0.000 0.000 3/24192 690.0 1.597 0.984 1.724 0.000 0.000 0.000 3/24192 700.0 1.575 0.970 1.699 0.000 0.000 0.000 3/24192 710.0 1.552 0.956 1.676 0.000 0.000 0.000 3/24192 720.0 1.531 0.943 1.652 0.000 0.000 0.000 3/24192 730.0 1.510 0.930 1.630 0.000 0.000 0.000 3/24192 740.0 1.490 0.917 1.608 0.000 0.000 0.000 3/24192 750.0 1.470 0.905 1.587 0.000 0.000 0.000 3/24192 760.0 1.451 0.893 1.566 0.000 0.000 0.000 3/24192 770.0 1.432 0.881 1.546 0.000 0.000 0.000 3/24192 780.0 1.414 0.870 1.526 0.000 0.000 0.000 3/24192 790.0 1.396 0.859 1.507 0.000 0.000 0.000 3/24192 800.0 1.378 0.848 1.488 0.000 0.000 0.000 3/24192 810.0 1.361 0.838 1.470 0.000 0.000 0.000 3/24192 820.0 1.345 0.828 1.452 0.000 0.000 0.000 3/24192 830.0 1.329 0.818 1.435 0.000 0.000 0.000 3/24192 840.0 1.313 0.808 1.418 0.000 0.000 0.000 3/24192 850.0 1.298 0.798 1.401 0.000 0.000 0.000 3/24192 860.0 1.283 0.789 1.385 0.000 0.000 0.000 3/24192 870.0 1.268 0.780 1.369 0.000 0.000 0.000 3/24192 880.0 1.254 0.771 1.354 0.000 0.000 0.000 3/24192 890.0 1.240 0.763 1.339 0.000 0.000 0.000 3/24192 900.0 1.226 0.754 1.324 0.000 0.000 0.000 3/24192 910.0 1.212 0.746 1.310 0.000 0.000 0.000 3/24192 920.0 1.199 0.738 1.296 0.000 0.000 0.000 3/24192 930.0 1.187 0.730 1.282 0.000 0.000 0.000 3/24192 940.0 1.174 0.722 1.268 0.000 0.000 0.000 3/24192 950.0 1.162 0.714 1.255 0.000 0.000 0.000 3/24192 960.0 1.150 0.707 1.242 0.000 0.000 0.000 3/24192 970.0 1.138 0.700 1.229 0.000 0.000 0.000 3/24192 980.0 1.126 0.693 1.217 0.000 0.000 0.000 3/24192 990.0 1.115 0.686 1.205 0.000 0.000 0.000 3/24192 1000.0 1.104 0.679 1.193 0.000 0.000 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m789.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:52:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|