----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:28:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cm (8) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.250049265002793 -1.985520739999999 0.000000000000000 b 5.250049265002793 1.985520739999999 0.000000000000000 c -0.120354030797701 0.000000000000000 10.518715954141015 Atomic positions (fractional): *1 Hf 0.18509411153646 0.18509411153646 0.24877341552765 178.490 *2 Hf 0.14481362241831 0.14481362241831 0.94097116640750 178.490 *3 Hf 0.13734011960515 0.13734011960515 0.55549299661036 178.490 *4 Hf 0.80790287133953 0.80790287133953 0.74954400086064 178.490 *5 Hf 0.85727455277157 0.85727455277157 0.05582403142404 178.490 *6 Hf 0.86288101251375 0.86288101251375 0.44070760153461 178.490 *7 N 0.30002107411007 0.30002107411007 0.07907496699561 14.007 *8 N 0.04654782380654 0.04654782380654 0.38416527853155 14.007 *9 N 0.70430680917811 0.70430680917811 0.57441463925640 14.007 *10 N 0.70108623070340 0.70108623070340 0.91999162345170 14.007 *11 O 0.31021399091243 0.31021399091243 0.42005318882039 15.999 *12 O 0.24786510385177 0.24786510385177 0.75164295303633 15.999 *13 O 0.04571647284467 0.04571647284467 0.11256084168726 15.999 *14 O 0.75497331236165 0.75497331236165 0.25729533499206 15.999 *15 O 0.95609253487465 0.95609253487465 0.88458665719457 15.999 *16 O 0.95786097717194 0.95786097717194 0.62055731366932 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.500098530005586 0.000000000000000 0.000000000000000 b 0.000000000000000 3.971041479999999 0.000000000000000 c -0.120354030797701 0.000000000000000 10.518715954141015 Atomic positions (fractional): *1 Hf 0.18509411153646 0.00000000000000 0.24877341552765 178.490 > 1 *2 Hf 0.14481362241831 0.00000000000000 0.94097116640750 178.490 > 2 *3 Hf 0.13734011960515 0.00000000000000 0.55549299661036 178.490 > 3 *4 Hf 0.30790287133953 0.50000000000000 0.74954400086064 178.490 > 4 *5 Hf 0.35727455277157 0.50000000000000 0.05582403142404 178.490 > 5 *6 Hf 0.36288101251375 0.50000000000000 0.44070760153461 178.490 > 6 7 Hf 0.68509411153646 0.50000000000000 0.24877341552765 178.490 > 1 8 Hf 0.64481362241831 0.50000000000000 0.94097116640750 178.490 > 2 9 Hf 0.63734011960515 0.50000000000000 0.55549299661036 178.490 > 3 10 Hf 0.80790287133953 0.00000000000000 0.74954400086064 178.490 > 4 11 Hf 0.85727455277157 0.00000000000000 0.05582403142404 178.490 > 5 12 Hf 0.86288101251375 0.00000000000000 0.44070760153461 178.490 > 6 *13 N 0.30002107411007 0.00000000000000 0.07907496699561 14.007 > 7 *14 N 0.04654782380654 0.00000000000000 0.38416527853155 14.007 > 8 *15 N 0.20430680917811 0.50000000000000 0.57441463925640 14.007 > 9 *16 N 0.20108623070340 0.50000000000000 0.91999162345170 14.007 > 10 17 N 0.80002107411007 0.50000000000000 0.07907496699561 14.007 > 7 18 N 0.54654782380654 0.50000000000000 0.38416527853155 14.007 > 8 19 N 0.70430680917811 0.00000000000000 0.57441463925640 14.007 > 9 20 N 0.70108623070340 0.00000000000000 0.91999162345170 14.007 > 10 *21 O 0.31021399091243 0.00000000000000 0.42005318882039 15.999 > 11 *22 O 0.24786510385177 0.00000000000000 0.75164295303633 15.999 > 12 *23 O 0.04571647284467 0.00000000000000 0.11256084168726 15.999 > 13 *24 O 0.25497331236165 0.50000000000000 0.25729533499206 15.999 > 14 *25 O 0.45609253487465 0.50000000000000 0.88458665719457 15.999 > 15 *26 O 0.45786097717194 0.50000000000000 0.62055731366932 15.999 > 16 27 O 0.81021399091243 0.50000000000000 0.42005318882039 15.999 > 11 28 O 0.74786510385177 0.50000000000000 0.75164295303633 15.999 > 12 29 O 0.54571647284467 0.50000000000000 0.11256084168726 15.999 > 13 30 O 0.75497331236165 0.00000000000000 0.25729533499206 15.999 > 14 31 O 0.95609253487465 0.00000000000000 0.88458665719457 15.999 > 15 32 O 0.95786097717194 0.00000000000000 0.62055731366932 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.500098530005586 0.000000000000000 0.000000000000000 b 0.000000000000000 11.913124439999997 0.000000000000000 c -0.120354030797701 0.000000000000000 10.518715954141015 Atomic positions (fractional): *1 Hf 0.18509411153646 0.00000000000000 0.24877341552765 178.490 > 1 2 Hf 0.18509411153646 0.33333333333333 0.24877341552765 178.490 > 1 3 Hf 0.18509411153646 0.66666666666667 0.24877341552765 178.490 > 1 *4 Hf 0.14481362241831 0.00000000000000 0.94097116640750 178.490 > 2 5 Hf 0.14481362241831 0.33333333333333 0.94097116640750 178.490 > 2 6 Hf 0.14481362241831 0.66666666666667 0.94097116640750 178.490 > 2 *7 Hf 0.13734011960515 0.00000000000000 0.55549299661036 178.490 > 3 8 Hf 0.13734011960515 0.33333333333333 0.55549299661036 178.490 > 3 9 Hf 0.13734011960515 0.66666666666667 0.55549299661036 178.490 > 3 *10 Hf 0.30790287133953 0.16666666666667 0.74954400086064 178.490 > 4 11 Hf 0.30790287133953 0.50000000000000 0.74954400086064 178.490 > 4 12 Hf 0.30790287133953 0.83333333333333 0.74954400086064 178.490 > 4 *13 Hf 0.35727455277157 0.16666666666667 0.05582403142404 178.490 > 5 14 Hf 0.35727455277157 0.50000000000000 0.05582403142404 178.490 > 5 15 Hf 0.35727455277157 0.83333333333333 0.05582403142404 178.490 > 5 *16 Hf 0.36288101251375 0.16666666666667 0.44070760153461 178.490 > 6 17 Hf 0.36288101251375 0.50000000000000 0.44070760153461 178.490 > 6 18 Hf 0.36288101251375 0.83333333333333 0.44070760153461 178.490 > 6 19 Hf 0.68509411153646 0.16666666666667 0.24877341552765 178.490 > 1 20 Hf 0.68509411153646 0.50000000000000 0.24877341552765 178.490 > 1 21 Hf 0.68509411153646 0.83333333333333 0.24877341552765 178.490 > 1 22 Hf 0.64481362241831 0.16666666666667 0.94097116640750 178.490 > 2 23 Hf 0.64481362241831 0.50000000000000 0.94097116640750 178.490 > 2 24 Hf 0.64481362241831 0.83333333333333 0.94097116640750 178.490 > 2 25 Hf 0.63734011960515 0.16666666666667 0.55549299661036 178.490 > 3 26 Hf 0.63734011960515 0.50000000000000 0.55549299661036 178.490 > 3 27 Hf 0.63734011960515 0.83333333333333 0.55549299661036 178.490 > 3 28 Hf 0.80790287133953 0.00000000000000 0.74954400086064 178.490 > 4 29 Hf 0.80790287133953 0.33333333333333 0.74954400086064 178.490 > 4 30 Hf 0.80790287133953 0.66666666666667 0.74954400086064 178.490 > 4 31 Hf 0.85727455277157 0.00000000000000 0.05582403142404 178.490 > 5 32 Hf 0.85727455277157 0.33333333333333 0.05582403142404 178.490 > 5 33 Hf 0.85727455277157 0.66666666666667 0.05582403142404 178.490 > 5 34 Hf 0.86288101251375 0.00000000000000 0.44070760153461 178.490 > 6 35 Hf 0.86288101251375 0.33333333333333 0.44070760153461 178.490 > 6 36 Hf 0.86288101251375 0.66666666666667 0.44070760153461 178.490 > 6 *37 N 0.30002107411007 0.00000000000000 0.07907496699561 14.007 > 7 38 N 0.30002107411007 0.33333333333333 0.07907496699561 14.007 > 7 39 N 0.30002107411007 0.66666666666667 0.07907496699561 14.007 > 7 *40 N 0.04654782380654 0.00000000000000 0.38416527853155 14.007 > 8 41 N 0.04654782380654 0.33333333333333 0.38416527853155 14.007 > 8 42 N 0.04654782380654 0.66666666666667 0.38416527853155 14.007 > 8 *43 N 0.20430680917811 0.16666666666667 0.57441463925640 14.007 > 9 44 N 0.20430680917811 0.50000000000000 0.57441463925640 14.007 > 9 45 N 0.20430680917811 0.83333333333333 0.57441463925640 14.007 > 9 *46 N 0.20108623070340 0.16666666666667 0.91999162345170 14.007 > 10 47 N 0.20108623070340 0.50000000000000 0.91999162345170 14.007 > 10 48 N 0.20108623070340 0.83333333333333 0.91999162345170 14.007 > 10 49 N 0.80002107411007 0.16666666666667 0.07907496699561 14.007 > 7 50 N 0.80002107411007 0.50000000000000 0.07907496699561 14.007 > 7 51 N 0.80002107411007 0.83333333333333 0.07907496699561 14.007 > 7 52 N 0.54654782380654 0.16666666666667 0.38416527853155 14.007 > 8 53 N 0.54654782380654 0.50000000000000 0.38416527853155 14.007 > 8 54 N 0.54654782380654 0.83333333333333 0.38416527853155 14.007 > 8 55 N 0.70430680917811 0.00000000000000 0.57441463925640 14.007 > 9 56 N 0.70430680917811 0.33333333333333 0.57441463925640 14.007 > 9 57 N 0.70430680917811 0.66666666666667 0.57441463925640 14.007 > 9 58 N 0.70108623070340 0.00000000000000 0.91999162345170 14.007 > 10 59 N 0.70108623070340 0.33333333333333 0.91999162345170 14.007 > 10 60 N 0.70108623070340 0.66666666666667 0.91999162345170 14.007 > 10 *61 O 0.31021399091243 0.00000000000000 0.42005318882039 15.999 > 11 62 O 0.31021399091243 0.33333333333333 0.42005318882039 15.999 > 11 63 O 0.31021399091243 0.66666666666667 0.42005318882039 15.999 > 11 *64 O 0.24786510385177 0.00000000000000 0.75164295303633 15.999 > 12 65 O 0.24786510385177 0.33333333333333 0.75164295303633 15.999 > 12 66 O 0.24786510385177 0.66666666666667 0.75164295303633 15.999 > 12 *67 O 0.04571647284467 0.00000000000000 0.11256084168726 15.999 > 13 68 O 0.04571647284467 0.33333333333333 0.11256084168726 15.999 > 13 69 O 0.04571647284467 0.66666666666667 0.11256084168726 15.999 > 13 *70 O 0.25497331236165 0.16666666666667 0.25729533499206 15.999 > 14 71 O 0.25497331236165 0.50000000000000 0.25729533499206 15.999 > 14 72 O 0.25497331236165 0.83333333333333 0.25729533499206 15.999 > 14 *73 O 0.45609253487465 0.16666666666667 0.88458665719457 15.999 > 15 74 O 0.45609253487465 0.50000000000000 0.88458665719457 15.999 > 15 75 O 0.45609253487465 0.83333333333333 0.88458665719457 15.999 > 15 *76 O 0.45786097717194 0.16666666666667 0.62055731366932 15.999 > 16 77 O 0.45786097717194 0.50000000000000 0.62055731366932 15.999 > 16 78 O 0.45786097717194 0.83333333333333 0.62055731366932 15.999 > 16 79 O 0.81021399091243 0.16666666666667 0.42005318882039 15.999 > 11 80 O 0.81021399091243 0.50000000000000 0.42005318882039 15.999 > 11 81 O 0.81021399091243 0.83333333333333 0.42005318882039 15.999 > 11 82 O 0.74786510385177 0.16666666666667 0.75164295303633 15.999 > 12 83 O 0.74786510385177 0.50000000000000 0.75164295303633 15.999 > 12 84 O 0.74786510385177 0.83333333333333 0.75164295303633 15.999 > 12 85 O 0.54571647284467 0.16666666666667 0.11256084168726 15.999 > 13 86 O 0.54571647284467 0.50000000000000 0.11256084168726 15.999 > 13 87 O 0.54571647284467 0.83333333333333 0.11256084168726 15.999 > 13 88 O 0.75497331236165 0.00000000000000 0.25729533499206 15.999 > 14 89 O 0.75497331236165 0.33333333333333 0.25729533499206 15.999 > 14 90 O 0.75497331236165 0.66666666666667 0.25729533499206 15.999 > 14 91 O 0.95609253487465 0.00000000000000 0.88458665719457 15.999 > 15 92 O 0.95609253487465 0.33333333333333 0.88458665719457 15.999 > 15 93 O 0.95609253487465 0.66666666666667 0.88458665719457 15.999 > 15 94 O 0.95786097717194 0.00000000000000 0.62055731366932 15.999 > 16 95 O 0.95786097717194 0.33333333333333 0.62055731366932 15.999 > 16 96 O 0.95786097717194 0.66666666666667 0.62055731366932 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3093884 0.0000000 -0.1598317 0.0000000 5.5385153 0.0000000 -0.1598500 0.0000000 5.4532467 -------------------------- Born effective charges -------------------------- 1 Hf 4.5614537 0.0000000 -0.4870938 0.0000000 4.2115200 0.0000000 -1.0608878 0.0000000 6.8274708 2 Hf 4.8565257 0.0000000 -0.1944588 0.0000000 5.3685966 0.0000000 0.1858343 0.0000000 4.1619155 3 Hf 4.7753163 0.0000000 0.6515744 0.0000000 4.8623483 0.0000000 0.7067587 0.0000000 4.1497254 4 Hf 3.8955608 0.0000000 -0.3240737 0.0000000 4.5509688 0.0000000 -0.1292858 0.0000000 7.0278917 5 Hf 4.9084450 0.0000000 -0.0914625 0.0000000 5.4265783 0.0000000 0.3835473 0.0000000 4.0656274 6 Hf 6.0962805 0.0000000 -0.0959089 0.0000000 4.4428694 0.0000000 -0.4557661 0.0000000 4.0923280 7 N -2.4077074 0.0000000 0.2634161 0.0000000 -4.8500523 0.0000000 0.1071829 0.0000000 -3.1022191 8 N -4.7940624 0.0000000 0.5307607 0.0000000 -1.1494699 0.0000000 1.2187187 0.0000000 -4.0037534 9 N -2.6811357 0.0000000 0.0838877 0.0000000 -4.3631681 0.0000000 -0.2070257 0.0000000 -3.0108118 10 N -2.2397043 0.0000000 0.2234917 0.0000000 -4.8017714 0.0000000 0.0968818 0.0000000 -3.1430945 11 O -2.3774633 0.0000000 -0.2990201 0.0000000 -3.7352261 0.0000000 -0.0819954 0.0000000 -2.0442766 12 O -1.3791144 0.0000000 0.0566252 0.0000000 -3.9754035 0.0000000 0.0334845 0.0000000 -3.0180240 13 O -3.8849820 0.0000000 -0.3955640 0.0000000 -0.8115826 0.0000000 -0.8760075 0.0000000 -3.1847107 14 O -1.6281746 0.0000000 -0.3171692 0.0000000 -3.5168160 0.0000000 -0.0264725 0.0000000 -2.7617779 15 O -3.9599596 0.0000000 -0.2135197 0.0000000 -0.8723697 0.0000000 -0.9044088 0.0000000 -3.0088449 16 O -3.7412781 0.0000000 0.6085149 0.0000000 -0.7870219 0.0000000 1.0094415 0.0000000 -3.0474458 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 8220/8220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3680 Number of blocks in projector: 3680 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 1028 --- Eigsh_solver_block: 1 / 1028 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 219 eigenvectors found. (2) Block: 524 / 524 (2) 251 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 1028 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 234 eigenvectors found. (2) Block: 544 / 544 (2) 278 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 1028 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 234 eigenvectors found. (2) Block: 544 / 544 (2) 278 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 1028 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 234 eigenvectors found. (2) Block: 544 / 544 (2) 278 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 10 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 11 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 12 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 13 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 14 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 15 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 16 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 17 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 18 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 19 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 20 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 21 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 22 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 23 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 24 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 25 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 26 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 27 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 28 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 29 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 30 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 31 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 32 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 33 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 34 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 35 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 36 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 37 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 38 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 39 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 40 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 41 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 42 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 43 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 44 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 45 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 46 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 47 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 48 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 49 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 50 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 51 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 52 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 53 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 54 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 55 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 56 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 57 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 58 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 59 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 60 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 61 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 62 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 63 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 64 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 65 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 66 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 67 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 68 / 1028 --- Block_size: 1 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Eigsh_solver_block: 867 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 868 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 869 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 870 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 871 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 872 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 873 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 874 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 875 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 876 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 877 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 878 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 879 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 880 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 881 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 882 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 883 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 884 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 885 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 886 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 887 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 888 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 889 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 890 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 891 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 892 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 893 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 894 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 895 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 896 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 897 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 898 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 899 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 900 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 901 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 902 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 903 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 904 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 905 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 906 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 907 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 908 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 909 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 910 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 911 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 912 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 913 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 914 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 915 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 916 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 917 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 918 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 919 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 920 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 921 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 922 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 923 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 924 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 925 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 926 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 927 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 928 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 929 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 930 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 931 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 932 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 933 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 934 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 935 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 936 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 937 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 938 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 939 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 940 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 941 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 942 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 943 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 944 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 945 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 946 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 947 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 948 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 949 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 950 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 951 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 952 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 953 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 954 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 955 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 956 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 957 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 958 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 959 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 960 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 961 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 962 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 963 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 964 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 965 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 966 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 967 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 968 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 969 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 970 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 971 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 972 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 973 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 974 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 975 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 976 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 977 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 978 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 979 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 980 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 981 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 982 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 983 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 984 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 985 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 986 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 987 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 988 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 989 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 990 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 991 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 992 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 993 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 994 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 995 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 996 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 997 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 998 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 999 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1000 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1001 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1002 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1003 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1004 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1005 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1006 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1007 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1008 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1009 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1010 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1011 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1012 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1013 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1014 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1015 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1016 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1017 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1018 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1019 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1020 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1021 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1022 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1023 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1024 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1025 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1026 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1027 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1028 / 1028 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (3680, 3601), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (544, 528), data: False |-- (544, 528), data: False |-- (544, 16), data: (544, 32) @ (32, 16) |-- (294, 278), data: True |-- (250, 234), data: True |-- (544, 528), data: False |-- (544, 528), data: False |-- (544, 16), data: (544, 32) @ (32, 16) |-- (294, 278), data: True |-- (250, 234), data: True |-- (544, 528), data: False |-- (544, 528), data: False |-- (544, 16), data: (544, 32) @ (32, 16) |-- (294, 278), data: True |-- (250, 234), data: True |-- (1024, 993), data: False |-- (1024, 31), data: (1024, 62) @ (62, 31) |-- (524, 493), data: False |-- (524, 23), data: (524, 54) @ (54, 23) |-- (274, 251), data: True |-- (250, 219), data: True |-- (500, 469), data: False |-- (500, 23), data: (500, 54) @ (54, 23) |-- (250, 227), data: True |-- (250, 219), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 960 - Time: 0.712 Solver_block: 200 / 960 - Time: 0.695 Solver_block: 300 / 960 - Time: 0.693 Solver_block: 400 / 960 - Time: 0.693 Solver_block: 500 / 960 - Time: 0.698 Solver_block: 600 / 960 - Time: 0.696 Solver_block: 700 / 960 - Time: 0.696 Solver_block: 800 / 960 - Time: 0.691 Solver_block: 900 / 960 - Time: 0.694 Solver_block: 960 / 960 - Time: 0.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.946 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 8220/8220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3680 Number of blocks in projector: 3680 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 1028 --- Eigsh_solver_block: 1 / 1028 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 219 eigenvectors found. (2) Block: 524 / 524 (2) 251 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 493 eigenvectors found. (1) Complementary block size: 62 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 1028 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 234 eigenvectors found. (2) Block: 544 / 544 (2) 278 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 1028 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 234 eigenvectors found. (2) Block: 544 / 544 (2) 278 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 1028 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 234 eigenvectors found. (2) Block: 544 / 544 (2) 278 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. 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standard eigh solver. --- Eigsh_solver_block: 766 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 767 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 768 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 769 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 770 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 771 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 772 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 773 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 774 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 775 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 776 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 777 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 778 / 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Eigsh_solver_block: 791 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 792 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 793 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 794 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 795 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 796 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 797 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 798 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 799 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 800 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 801 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 802 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 803 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 804 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 805 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 806 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 807 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 808 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 809 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 810 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 811 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 812 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 813 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 814 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 815 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 816 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 817 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 818 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 819 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 820 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 821 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 822 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 823 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 824 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 825 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 826 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 827 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 828 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 829 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 830 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 831 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 832 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 833 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 834 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 835 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 836 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 837 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 838 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 839 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 840 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 841 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 842 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 843 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 844 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 845 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 846 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 847 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 848 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 849 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 850 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 851 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 852 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 853 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 854 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 855 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 856 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 857 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 858 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 859 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 860 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 861 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 862 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 863 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 864 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 865 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 866 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 867 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 868 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 869 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 870 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 871 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 872 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 873 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 874 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 875 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 876 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 877 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 878 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 879 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 880 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 881 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 882 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 883 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 884 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 885 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 886 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 887 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 888 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 889 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 890 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 891 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 892 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 893 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 894 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 895 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 896 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 897 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 898 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 899 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 900 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 901 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 902 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 903 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 904 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 905 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 906 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 907 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 908 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 909 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 910 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 911 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 912 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 913 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 914 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 915 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 916 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 917 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 918 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 919 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 920 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 921 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 922 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 923 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 924 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 925 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 926 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 927 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 928 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 929 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 930 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 931 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 932 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 933 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 934 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 935 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 936 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 937 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 938 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 939 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 940 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 941 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 942 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 943 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 944 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 945 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 946 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 947 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 948 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 949 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 950 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 951 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 952 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 953 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 954 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 955 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 956 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 957 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 958 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 959 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 960 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 961 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 962 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 963 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 964 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 965 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 966 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 967 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 968 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 969 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 970 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 971 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 972 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 973 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 974 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 975 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 976 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 977 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 978 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 979 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 980 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 981 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 982 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 983 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 984 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 985 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 986 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 987 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 988 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 989 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 990 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 991 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 992 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 993 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 994 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 995 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 996 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 997 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 998 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 999 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1000 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1001 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1002 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1003 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1004 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1005 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1006 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1007 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1008 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1009 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1010 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1011 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1012 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1013 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1014 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1015 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1016 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1017 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1018 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1019 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1020 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1021 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1022 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1023 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1024 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1025 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1026 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1027 / 1028 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 1028 / 1028 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (3680, 3601), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (544, 528), data: False |-- (544, 528), data: False |-- (544, 16), data: (544, 32) @ (32, 16) |-- (294, 278), data: True |-- (250, 234), data: True |-- (544, 528), data: False |-- (544, 528), data: False |-- (544, 16), data: (544, 32) @ (32, 16) |-- (294, 278), data: True |-- (250, 234), data: True |-- (544, 528), data: False |-- (544, 528), data: False |-- (544, 16), data: (544, 32) @ (32, 16) |-- (294, 278), data: True |-- (250, 234), data: True |-- (1024, 993), data: False |-- (1024, 31), data: (1024, 62) @ (62, 31) |-- (524, 493), data: False |-- (524, 23), data: (524, 54) @ (54, 23) |-- (274, 251), data: True |-- (250, 219), data: True |-- (500, 469), data: False |-- (500, 23), data: (500, 54) @ (54, 23) |-- (250, 227), data: True |-- (250, 219), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:29:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:29:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cm (8) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.250049265002793 -1.985520739999999 0.000000000000000 b 5.250049265002793 1.985520739999999 0.000000000000000 c -0.120354030797701 0.000000000000000 10.518715954141015 Atomic positions (fractional): 1 Hf 0.18509411153646 0.18509411153646 0.24877341552765 178.490 2 Hf 0.14481362241831 0.14481362241831 0.94097116640750 178.490 3 Hf 0.13734011960515 0.13734011960515 0.55549299661036 178.490 4 Hf 0.80790287133953 0.80790287133953 0.74954400086064 178.490 5 Hf 0.85727455277157 0.85727455277157 0.05582403142404 178.490 6 Hf 0.86288101251375 0.86288101251375 0.44070760153461 178.490 7 N 0.30002107411007 0.30002107411007 0.07907496699561 14.007 8 N 0.04654782380654 0.04654782380654 0.38416527853155 14.007 9 N 0.70430680917811 0.70430680917811 0.57441463925640 14.007 10 N 0.70108623070340 0.70108623070340 0.91999162345170 14.007 11 O 0.31021399091243 0.31021399091243 0.42005318882039 15.999 12 O 0.24786510385177 0.24786510385177 0.75164295303633 15.999 13 O 0.04571647284467 0.04571647284467 0.11256084168726 15.999 14 O 0.75497331236165 0.75497331236165 0.25729533499206 15.999 15 O 0.95609253487465 0.95609253487465 0.88458665719457 15.999 16 O 0.95786097717194 0.95786097717194 0.62055731366932 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.500098530005586 0.000000000000000 0.000000000000000 b 0.000000000000000 11.913124439999997 0.000000000000000 c -0.120354030797701 0.000000000000000 10.518715954141015 Atomic positions (fractional): 1 Hf 0.18509411153646 0.00000000000000 0.24877341552765 178.490 > 1 2 Hf 0.18509411153646 0.33333333333333 0.24877341552765 178.490 > 1 3 Hf 0.18509411153646 0.66666666666667 0.24877341552765 178.490 > 1 4 Hf 0.14481362241831 0.00000000000000 0.94097116640750 178.490 > 4 5 Hf 0.14481362241831 0.33333333333333 0.94097116640750 178.490 > 4 6 Hf 0.14481362241831 0.66666666666667 0.94097116640750 178.490 > 4 7 Hf 0.13734011960515 0.00000000000000 0.55549299661036 178.490 > 7 8 Hf 0.13734011960515 0.33333333333333 0.55549299661036 178.490 > 7 9 Hf 0.13734011960515 0.66666666666667 0.55549299661036 178.490 > 7 10 Hf 0.30790287133953 0.16666666666667 0.74954400086064 178.490 > 10 11 Hf 0.30790287133953 0.50000000000000 0.74954400086064 178.490 > 10 12 Hf 0.30790287133953 0.83333333333333 0.74954400086064 178.490 > 10 13 Hf 0.35727455277157 0.16666666666667 0.05582403142404 178.490 > 13 14 Hf 0.35727455277157 0.50000000000000 0.05582403142404 178.490 > 13 15 Hf 0.35727455277157 0.83333333333333 0.05582403142404 178.490 > 13 16 Hf 0.36288101251375 0.16666666666667 0.44070760153461 178.490 > 16 17 Hf 0.36288101251375 0.50000000000000 0.44070760153461 178.490 > 16 18 Hf 0.36288101251375 0.83333333333333 0.44070760153461 178.490 > 16 19 Hf 0.68509411153646 0.16666666666667 0.24877341552765 178.490 > 1 20 Hf 0.68509411153646 0.50000000000000 0.24877341552765 178.490 > 1 21 Hf 0.68509411153646 0.83333333333333 0.24877341552765 178.490 > 1 22 Hf 0.64481362241831 0.16666666666667 0.94097116640750 178.490 > 4 23 Hf 0.64481362241831 0.50000000000000 0.94097116640750 178.490 > 4 24 Hf 0.64481362241831 0.83333333333333 0.94097116640750 178.490 > 4 25 Hf 0.63734011960515 0.16666666666667 0.55549299661036 178.490 > 7 26 Hf 0.63734011960515 0.50000000000000 0.55549299661036 178.490 > 7 27 Hf 0.63734011960515 0.83333333333333 0.55549299661036 178.490 > 7 28 Hf 0.80790287133953 0.00000000000000 0.74954400086064 178.490 > 10 29 Hf 0.80790287133953 0.33333333333333 0.74954400086064 178.490 > 10 30 Hf 0.80790287133953 0.66666666666667 0.74954400086064 178.490 > 10 31 Hf 0.85727455277157 0.00000000000000 0.05582403142404 178.490 > 13 32 Hf 0.85727455277157 0.33333333333333 0.05582403142404 178.490 > 13 33 Hf 0.85727455277157 0.66666666666667 0.05582403142404 178.490 > 13 34 Hf 0.86288101251375 0.00000000000000 0.44070760153461 178.490 > 16 35 Hf 0.86288101251375 0.33333333333333 0.44070760153461 178.490 > 16 36 Hf 0.86288101251375 0.66666666666667 0.44070760153461 178.490 > 16 37 N 0.30002107411007 0.00000000000000 0.07907496699561 14.007 > 37 38 N 0.30002107411007 0.33333333333333 0.07907496699561 14.007 > 37 39 N 0.30002107411007 0.66666666666667 0.07907496699561 14.007 > 37 40 N 0.04654782380654 0.00000000000000 0.38416527853155 14.007 > 40 41 N 0.04654782380654 0.33333333333333 0.38416527853155 14.007 > 40 42 N 0.04654782380654 0.66666666666667 0.38416527853155 14.007 > 40 43 N 0.20430680917811 0.16666666666667 0.57441463925640 14.007 > 43 44 N 0.20430680917811 0.50000000000000 0.57441463925640 14.007 > 43 45 N 0.20430680917811 0.83333333333333 0.57441463925640 14.007 > 43 46 N 0.20108623070340 0.16666666666667 0.91999162345170 14.007 > 46 47 N 0.20108623070340 0.50000000000000 0.91999162345170 14.007 > 46 48 N 0.20108623070340 0.83333333333333 0.91999162345170 14.007 > 46 49 N 0.80002107411007 0.16666666666667 0.07907496699561 14.007 > 37 50 N 0.80002107411007 0.50000000000000 0.07907496699561 14.007 > 37 51 N 0.80002107411007 0.83333333333333 0.07907496699561 14.007 > 37 52 N 0.54654782380654 0.16666666666667 0.38416527853155 14.007 > 40 53 N 0.54654782380654 0.50000000000000 0.38416527853155 14.007 > 40 54 N 0.54654782380654 0.83333333333333 0.38416527853155 14.007 > 40 55 N 0.70430680917811 0.00000000000000 0.57441463925640 14.007 > 43 56 N 0.70430680917811 0.33333333333333 0.57441463925640 14.007 > 43 57 N 0.70430680917811 0.66666666666667 0.57441463925640 14.007 > 43 58 N 0.70108623070340 0.00000000000000 0.91999162345170 14.007 > 46 59 N 0.70108623070340 0.33333333333333 0.91999162345170 14.007 > 46 60 N 0.70108623070340 0.66666666666667 0.91999162345170 14.007 > 46 61 O 0.31021399091243 0.00000000000000 0.42005318882039 15.999 > 61 62 O 0.31021399091243 0.33333333333333 0.42005318882039 15.999 > 61 63 O 0.31021399091243 0.66666666666667 0.42005318882039 15.999 > 61 64 O 0.24786510385177 0.00000000000000 0.75164295303633 15.999 > 64 65 O 0.24786510385177 0.33333333333333 0.75164295303633 15.999 > 64 66 O 0.24786510385177 0.66666666666667 0.75164295303633 15.999 > 64 67 O 0.04571647284467 0.00000000000000 0.11256084168726 15.999 > 67 68 O 0.04571647284467 0.33333333333333 0.11256084168726 15.999 > 67 69 O 0.04571647284467 0.66666666666667 0.11256084168726 15.999 > 67 70 O 0.25497331236165 0.16666666666667 0.25729533499206 15.999 > 70 71 O 0.25497331236165 0.50000000000000 0.25729533499206 15.999 > 70 72 O 0.25497331236165 0.83333333333333 0.25729533499206 15.999 > 70 73 O 0.45609253487465 0.16666666666667 0.88458665719457 15.999 > 73 74 O 0.45609253487465 0.50000000000000 0.88458665719457 15.999 > 73 75 O 0.45609253487465 0.83333333333333 0.88458665719457 15.999 > 73 76 O 0.45786097717194 0.16666666666667 0.62055731366932 15.999 > 76 77 O 0.45786097717194 0.50000000000000 0.62055731366932 15.999 > 76 78 O 0.45786097717194 0.83333333333333 0.62055731366932 15.999 > 76 79 O 0.81021399091243 0.16666666666667 0.42005318882039 15.999 > 61 80 O 0.81021399091243 0.50000000000000 0.42005318882039 15.999 > 61 81 O 0.81021399091243 0.83333333333333 0.42005318882039 15.999 > 61 82 O 0.74786510385177 0.16666666666667 0.75164295303633 15.999 > 64 83 O 0.74786510385177 0.50000000000000 0.75164295303633 15.999 > 64 84 O 0.74786510385177 0.83333333333333 0.75164295303633 15.999 > 64 85 O 0.54571647284467 0.16666666666667 0.11256084168726 15.999 > 67 86 O 0.54571647284467 0.50000000000000 0.11256084168726 15.999 > 67 87 O 0.54571647284467 0.83333333333333 0.11256084168726 15.999 > 67 88 O 0.75497331236165 0.00000000000000 0.25729533499206 15.999 > 70 89 O 0.75497331236165 0.33333333333333 0.25729533499206 15.999 > 70 90 O 0.75497331236165 0.66666666666667 0.25729533499206 15.999 > 70 91 O 0.95609253487465 0.00000000000000 0.88458665719457 15.999 > 73 92 O 0.95609253487465 0.33333333333333 0.88458665719457 15.999 > 73 93 O 0.95609253487465 0.66666666666667 0.88458665719457 15.999 > 73 94 O 0.95786097717194 0.00000000000000 0.62055731366932 15.999 > 76 95 O 0.95786097717194 0.33333333333333 0.62055731366932 15.999 > 76 96 O 0.95786097717194 0.66666666666667 0.62055731366932 15.999 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3093884 0.0000000 -0.1598317 0.0000000 5.5385153 0.0000000 -0.1598500 0.0000000 5.4532467 -------------------------- Born effective charges -------------------------- 1 Hf 4.5614537 0.0000000 -0.4870938 0.0000000 4.2115200 0.0000000 -1.0608878 0.0000000 6.8274708 2 Hf 4.8565257 0.0000000 -0.1944588 0.0000000 5.3685966 0.0000000 0.1858343 0.0000000 4.1619155 3 Hf 4.7753163 0.0000000 0.6515744 0.0000000 4.8623483 0.0000000 0.7067587 0.0000000 4.1497254 4 Hf 3.8955608 0.0000000 -0.3240737 0.0000000 4.5509688 0.0000000 -0.1292858 0.0000000 7.0278917 5 Hf 4.9084450 0.0000000 -0.0914625 0.0000000 5.4265783 0.0000000 0.3835473 0.0000000 4.0656274 6 Hf 6.0962805 0.0000000 -0.0959089 0.0000000 4.4428694 0.0000000 -0.4557661 0.0000000 4.0923280 7 N -2.4077074 0.0000000 0.2634161 0.0000000 -4.8500523 0.0000000 0.1071829 0.0000000 -3.1022191 8 N -4.7940624 0.0000000 0.5307607 0.0000000 -1.1494699 0.0000000 1.2187187 0.0000000 -4.0037534 9 N -2.6811357 0.0000000 0.0838877 0.0000000 -4.3631681 0.0000000 -0.2070257 0.0000000 -3.0108118 10 N -2.2397043 0.0000000 0.2234917 0.0000000 -4.8017714 0.0000000 0.0968818 0.0000000 -3.1430945 11 O -2.3774633 0.0000000 -0.2990201 0.0000000 -3.7352261 0.0000000 -0.0819954 0.0000000 -2.0442766 12 O -1.3791144 0.0000000 0.0566252 0.0000000 -3.9754035 0.0000000 0.0334845 0.0000000 -3.0180240 13 O -3.8849820 0.0000000 -0.3955640 0.0000000 -0.8115826 0.0000000 -0.8760075 0.0000000 -3.1847107 14 O -1.6281746 0.0000000 -0.3171692 0.0000000 -3.5168160 0.0000000 -0.0264725 0.0000000 -2.7617779 15 O -3.9599596 0.0000000 -0.2135197 0.0000000 -0.8723697 0.0000000 -0.9044088 0.0000000 -3.0088449 16 O -3.7412781 0.0000000 0.6085149 0.0000000 -0.7870219 0.0000000 1.0094415 0.0000000 -3.0474458 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 4, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 7, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 10, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 16, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 40, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 46, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 61, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 64, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 67, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 70, 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 76, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:29:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:29:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cm (8) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.250049265002793 -1.985520739999999 0.000000000000000 b 5.250049265002793 1.985520739999999 0.000000000000000 c -0.120354030797701 0.000000000000000 10.518715954141015 Atomic positions (fractional): 1 Hf 0.18509411153646 0.18509411153646 0.24877341552765 178.490 2 Hf 0.14481362241831 0.14481362241831 0.94097116640750 178.490 3 Hf 0.13734011960515 0.13734011960515 0.55549299661036 178.490 4 Hf 0.80790287133953 0.80790287133953 0.74954400086064 178.490 5 Hf 0.85727455277157 0.85727455277157 0.05582403142404 178.490 6 Hf 0.86288101251375 0.86288101251375 0.44070760153461 178.490 7 N 0.30002107411007 0.30002107411007 0.07907496699561 14.007 8 N 0.04654782380654 0.04654782380654 0.38416527853155 14.007 9 N 0.70430680917811 0.70430680917811 0.57441463925640 14.007 10 N 0.70108623070340 0.70108623070340 0.91999162345170 14.007 11 O 0.31021399091243 0.31021399091243 0.42005318882039 15.999 12 O 0.24786510385177 0.24786510385177 0.75164295303633 15.999 13 O 0.04571647284467 0.04571647284467 0.11256084168726 15.999 14 O 0.75497331236165 0.75497331236165 0.25729533499206 15.999 15 O 0.95609253487465 0.95609253487465 0.88458665719457 15.999 16 O 0.95786097717194 0.95786097717194 0.62055731366932 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.500098530005586 0.000000000000000 0.000000000000000 b 0.000000000000000 11.913124439999997 0.000000000000000 c -0.120354030797701 0.000000000000000 10.518715954141015 Atomic positions (fractional): 1 Hf 0.18509411153646 0.00000000000000 0.24877341552765 178.490 > 1 2 Hf 0.18509411153646 0.33333333333333 0.24877341552765 178.490 > 1 3 Hf 0.18509411153646 0.66666666666667 0.24877341552765 178.490 > 1 4 Hf 0.14481362241831 0.00000000000000 0.94097116640750 178.490 > 4 5 Hf 0.14481362241831 0.33333333333333 0.94097116640750 178.490 > 4 6 Hf 0.14481362241831 0.66666666666667 0.94097116640750 178.490 > 4 7 Hf 0.13734011960515 0.00000000000000 0.55549299661036 178.490 > 7 8 Hf 0.13734011960515 0.33333333333333 0.55549299661036 178.490 > 7 9 Hf 0.13734011960515 0.66666666666667 0.55549299661036 178.490 > 7 10 Hf 0.30790287133953 0.16666666666667 0.74954400086064 178.490 > 10 11 Hf 0.30790287133953 0.50000000000000 0.74954400086064 178.490 > 10 12 Hf 0.30790287133953 0.83333333333333 0.74954400086064 178.490 > 10 13 Hf 0.35727455277157 0.16666666666667 0.05582403142404 178.490 > 13 14 Hf 0.35727455277157 0.50000000000000 0.05582403142404 178.490 > 13 15 Hf 0.35727455277157 0.83333333333333 0.05582403142404 178.490 > 13 16 Hf 0.36288101251375 0.16666666666667 0.44070760153461 178.490 > 16 17 Hf 0.36288101251375 0.50000000000000 0.44070760153461 178.490 > 16 18 Hf 0.36288101251375 0.83333333333333 0.44070760153461 178.490 > 16 19 Hf 0.68509411153646 0.16666666666667 0.24877341552765 178.490 > 1 20 Hf 0.68509411153646 0.50000000000000 0.24877341552765 178.490 > 1 21 Hf 0.68509411153646 0.83333333333333 0.24877341552765 178.490 > 1 22 Hf 0.64481362241831 0.16666666666667 0.94097116640750 178.490 > 4 23 Hf 0.64481362241831 0.50000000000000 0.94097116640750 178.490 > 4 24 Hf 0.64481362241831 0.83333333333333 0.94097116640750 178.490 > 4 25 Hf 0.63734011960515 0.16666666666667 0.55549299661036 178.490 > 7 26 Hf 0.63734011960515 0.50000000000000 0.55549299661036 178.490 > 7 27 Hf 0.63734011960515 0.83333333333333 0.55549299661036 178.490 > 7 28 Hf 0.80790287133953 0.00000000000000 0.74954400086064 178.490 > 10 29 Hf 0.80790287133953 0.33333333333333 0.74954400086064 178.490 > 10 30 Hf 0.80790287133953 0.66666666666667 0.74954400086064 178.490 > 10 31 Hf 0.85727455277157 0.00000000000000 0.05582403142404 178.490 > 13 32 Hf 0.85727455277157 0.33333333333333 0.05582403142404 178.490 > 13 33 Hf 0.85727455277157 0.66666666666667 0.05582403142404 178.490 > 13 34 Hf 0.86288101251375 0.00000000000000 0.44070760153461 178.490 > 16 35 Hf 0.86288101251375 0.33333333333333 0.44070760153461 178.490 > 16 36 Hf 0.86288101251375 0.66666666666667 0.44070760153461 178.490 > 16 37 N 0.30002107411007 0.00000000000000 0.07907496699561 14.007 > 37 38 N 0.30002107411007 0.33333333333333 0.07907496699561 14.007 > 37 39 N 0.30002107411007 0.66666666666667 0.07907496699561 14.007 > 37 40 N 0.04654782380654 0.00000000000000 0.38416527853155 14.007 > 40 41 N 0.04654782380654 0.33333333333333 0.38416527853155 14.007 > 40 42 N 0.04654782380654 0.66666666666667 0.38416527853155 14.007 > 40 43 N 0.20430680917811 0.16666666666667 0.57441463925640 14.007 > 43 44 N 0.20430680917811 0.50000000000000 0.57441463925640 14.007 > 43 45 N 0.20430680917811 0.83333333333333 0.57441463925640 14.007 > 43 46 N 0.20108623070340 0.16666666666667 0.91999162345170 14.007 > 46 47 N 0.20108623070340 0.50000000000000 0.91999162345170 14.007 > 46 48 N 0.20108623070340 0.83333333333333 0.91999162345170 14.007 > 46 49 N 0.80002107411007 0.16666666666667 0.07907496699561 14.007 > 37 50 N 0.80002107411007 0.50000000000000 0.07907496699561 14.007 > 37 51 N 0.80002107411007 0.83333333333333 0.07907496699561 14.007 > 37 52 N 0.54654782380654 0.16666666666667 0.38416527853155 14.007 > 40 53 N 0.54654782380654 0.50000000000000 0.38416527853155 14.007 > 40 54 N 0.54654782380654 0.83333333333333 0.38416527853155 14.007 > 40 55 N 0.70430680917811 0.00000000000000 0.57441463925640 14.007 > 43 56 N 0.70430680917811 0.33333333333333 0.57441463925640 14.007 > 43 57 N 0.70430680917811 0.66666666666667 0.57441463925640 14.007 > 43 58 N 0.70108623070340 0.00000000000000 0.91999162345170 14.007 > 46 59 N 0.70108623070340 0.33333333333333 0.91999162345170 14.007 > 46 60 N 0.70108623070340 0.66666666666667 0.91999162345170 14.007 > 46 61 O 0.31021399091243 0.00000000000000 0.42005318882039 15.999 > 61 62 O 0.31021399091243 0.33333333333333 0.42005318882039 15.999 > 61 63 O 0.31021399091243 0.66666666666667 0.42005318882039 15.999 > 61 64 O 0.24786510385177 0.00000000000000 0.75164295303633 15.999 > 64 65 O 0.24786510385177 0.33333333333333 0.75164295303633 15.999 > 64 66 O 0.24786510385177 0.66666666666667 0.75164295303633 15.999 > 64 67 O 0.04571647284467 0.00000000000000 0.11256084168726 15.999 > 67 68 O 0.04571647284467 0.33333333333333 0.11256084168726 15.999 > 67 69 O 0.04571647284467 0.66666666666667 0.11256084168726 15.999 > 67 70 O 0.25497331236165 0.16666666666667 0.25729533499206 15.999 > 70 71 O 0.25497331236165 0.50000000000000 0.25729533499206 15.999 > 70 72 O 0.25497331236165 0.83333333333333 0.25729533499206 15.999 > 70 73 O 0.45609253487465 0.16666666666667 0.88458665719457 15.999 > 73 74 O 0.45609253487465 0.50000000000000 0.88458665719457 15.999 > 73 75 O 0.45609253487465 0.83333333333333 0.88458665719457 15.999 > 73 76 O 0.45786097717194 0.16666666666667 0.62055731366932 15.999 > 76 77 O 0.45786097717194 0.50000000000000 0.62055731366932 15.999 > 76 78 O 0.45786097717194 0.83333333333333 0.62055731366932 15.999 > 76 79 O 0.81021399091243 0.16666666666667 0.42005318882039 15.999 > 61 80 O 0.81021399091243 0.50000000000000 0.42005318882039 15.999 > 61 81 O 0.81021399091243 0.83333333333333 0.42005318882039 15.999 > 61 82 O 0.74786510385177 0.16666666666667 0.75164295303633 15.999 > 64 83 O 0.74786510385177 0.50000000000000 0.75164295303633 15.999 > 64 84 O 0.74786510385177 0.83333333333333 0.75164295303633 15.999 > 64 85 O 0.54571647284467 0.16666666666667 0.11256084168726 15.999 > 67 86 O 0.54571647284467 0.50000000000000 0.11256084168726 15.999 > 67 87 O 0.54571647284467 0.83333333333333 0.11256084168726 15.999 > 67 88 O 0.75497331236165 0.00000000000000 0.25729533499206 15.999 > 70 89 O 0.75497331236165 0.33333333333333 0.25729533499206 15.999 > 70 90 O 0.75497331236165 0.66666666666667 0.25729533499206 15.999 > 70 91 O 0.95609253487465 0.00000000000000 0.88458665719457 15.999 > 73 92 O 0.95609253487465 0.33333333333333 0.88458665719457 15.999 > 73 93 O 0.95609253487465 0.66666666666667 0.88458665719457 15.999 > 73 94 O 0.95786097717194 0.00000000000000 0.62055731366932 15.999 > 76 95 O 0.95786097717194 0.33333333333333 0.62055731366932 15.999 > 76 96 O 0.95786097717194 0.66666666666667 0.62055731366932 15.999 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3093884 0.0000000 -0.1598317 0.0000000 5.5385153 0.0000000 -0.1598500 0.0000000 5.4532467 -------------------------- Born effective charges -------------------------- 1 Hf 4.5614537 0.0000000 -0.4870938 0.0000000 4.2115200 0.0000000 -1.0608878 0.0000000 6.8274708 2 Hf 4.8565257 0.0000000 -0.1944588 0.0000000 5.3685966 0.0000000 0.1858343 0.0000000 4.1619155 3 Hf 4.7753163 0.0000000 0.6515744 0.0000000 4.8623483 0.0000000 0.7067587 0.0000000 4.1497254 4 Hf 3.8955608 0.0000000 -0.3240737 0.0000000 4.5509688 0.0000000 -0.1292858 0.0000000 7.0278917 5 Hf 4.9084450 0.0000000 -0.0914625 0.0000000 5.4265783 0.0000000 0.3835473 0.0000000 4.0656274 6 Hf 6.0962805 0.0000000 -0.0959089 0.0000000 4.4428694 0.0000000 -0.4557661 0.0000000 4.0923280 7 N -2.4077074 0.0000000 0.2634161 0.0000000 -4.8500523 0.0000000 0.1071829 0.0000000 -3.1022191 8 N -4.7940624 0.0000000 0.5307607 0.0000000 -1.1494699 0.0000000 1.2187187 0.0000000 -4.0037534 9 N -2.6811357 0.0000000 0.0838877 0.0000000 -4.3631681 0.0000000 -0.2070257 0.0000000 -3.0108118 10 N -2.2397043 0.0000000 0.2234917 0.0000000 -4.8017714 0.0000000 0.0968818 0.0000000 -3.1430945 11 O -2.3774633 0.0000000 -0.2990201 0.0000000 -3.7352261 0.0000000 -0.0819954 0.0000000 -2.0442766 12 O -1.3791144 0.0000000 0.0566252 0.0000000 -3.9754035 0.0000000 0.0334845 0.0000000 -3.0180240 13 O -3.8849820 0.0000000 -0.3955640 0.0000000 -0.8115826 0.0000000 -0.8760075 0.0000000 -3.1847107 14 O -1.6281746 0.0000000 -0.3171692 0.0000000 -3.5168160 0.0000000 -0.0264725 0.0000000 -2.7617779 15 O -3.9599596 0.0000000 -0.2135197 0.0000000 -0.8723697 0.0000000 -0.9044088 0.0000000 -3.0088449 16 O -3.7412781 0.0000000 0.6085149 0.0000000 -0.7870219 0.0000000 1.0094415 0.0000000 -3.0474458 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 5 ] 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: 0.69, Number of G-points: 295, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 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 2.569 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.794 ( 0.000 0.000 0.000) 0.000 5.159 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.779 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.603 ( -0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.748 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 10.378 ( -0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 12.063 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 13.721 ( 0.000 0.000 0.000) 0.000 13.920 ( 0.000 0.000 0.000) 0.000 14.532 ( 0.000 0.000 0.000) 0.000 14.777 ( 0.000 0.000 0.000) 0.000 15.221 ( 0.000 0.000 0.000) 0.000 15.796 ( 0.000 0.000 0.000) 0.000 16.129 ( 0.000 0.000 0.000) 0.000 16.650 ( 0.000 0.000 0.000) 0.000 16.719 ( 0.000 0.000 0.000) 0.000 16.771 ( 0.000 0.000 0.000) 0.000 17.635 ( -0.000 0.000 0.000) 0.000 18.542 ( 0.000 0.000 0.000) 0.000 19.049 ( 0.000 0.000 0.000) 0.000 19.705 ( -0.000 0.000 0.000) 0.000 20.540 ( 0.000 0.000 0.000) 0.000 20.643 ( 0.000 0.000 0.000) 0.000 21.867 ( 0.000 0.000 0.000) 0.000 22.165 ( 0.000 0.000 0.000) 0.000 24.673 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 34.562 -14.750 4.117) 37.802 0.656 ( 9.506 -29.069 -2.525) 30.688 1.145 ( 8.688 -54.164 -0.001) 54.856 2.582 ( 1.454 -2.152 -0.434) 2.633 2.673 ( 1.193 -1.346 -2.851) 3.371 2.729 ( 1.396 -5.465 3.749) 6.772 3.110 ( -1.734 -0.691 -2.072) 2.789 3.600 ( -1.082 0.852 1.145) 1.791 3.770 ( -1.130 -6.100 0.067) 6.204 3.983 ( -1.078 -5.941 -0.137) 6.040 4.251 ( 0.044 -6.418 -0.259) 6.423 4.473 ( -0.741 -15.786 0.610) 15.815 4.552 ( -2.199 -9.751 0.080) 9.997 4.851 ( -2.244 -6.272 0.549) 6.684 5.189 ( 4.266 -1.263 -4.175) 6.101 5.367 ( 2.603 -9.430 3.054) 10.249 5.827 ( -1.097 -5.073 -0.211) 5.195 6.162 ( -8.321 -3.392 0.815) 9.022 6.621 ( 4.725 0.105 0.329) 4.738 6.965 ( 1.256 -6.654 -0.110) 6.773 7.286 ( -2.598 2.392 -0.183) 3.536 7.956 ( -7.677 -8.869 2.836) 12.069 8.618 ( 4.876 -9.749 -16.204) 19.529 9.472 ( -1.505 7.291 2.581) 7.880 9.660 ( 2.921 10.272 2.427) 10.951 10.324 ( 5.717 9.070 10.742) 15.177 11.515 ( 10.058 13.070 -2.270) 16.647 11.998 ( 22.918 18.542 0.852) 29.491 12.588 ( 1.096 10.634 -1.425) 10.785 13.615 ( 2.323 11.917 -0.095) 12.142 14.348 ( -2.252 14.358 1.260) 14.588 14.576 ( 0.279 15.138 -2.694) 15.378 15.062 ( -2.877 -0.448 3.114) 4.264 15.714 ( -9.148 -0.812 1.335) 9.280 16.009 ( -4.029 4.247 -0.404) 5.868 16.532 ( 2.596 13.407 -0.110) 13.656 16.660 ( -0.906 -4.291 -0.531) 4.418 16.986 ( 0.933 -6.088 1.335) 6.302 17.836 ( -0.575 -24.352 0.419) 24.362 18.091 ( -2.312 -16.773 -0.548) 16.941 19.027 ( 1.612 -0.550 2.186) 2.771 19.399 ( -8.566 17.851 -6.480) 20.833 20.618 ( -6.409 -12.885 -3.311) 14.767 20.998 ( -4.502 -33.805 4.576) 34.409 21.737 ( -47.053 -17.466 7.525) 50.751 22.054 ( -20.539 -21.976 2.345) 30.171 23.135 ( 4.711 -3.662 13.287) 14.566 24.852 ( 42.095 16.879 -25.359) 51.961 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 29.455 -16.373 3.606) 33.892 1.252 ( 8.770 -25.269 -2.040) 26.825 2.197 ( 10.105 -46.630 0.265) 47.713 2.674 ( 1.275 -5.170 5.985) 8.011 2.750 ( 3.071 -7.057 -9.743) 12.416 2.899 ( 3.275 -9.828 6.572) 12.268 3.150 ( -1.738 -5.243 -5.430) 7.746 3.577 ( -1.497 0.526 1.119) 1.942 3.856 ( -2.334 -3.357 0.537) 4.124 4.105 ( -2.755 -8.013 0.463) 8.486 4.466 ( -0.578 -13.826 -1.242) 13.893 4.786 ( -4.623 -17.847 -4.786) 19.047 4.816 ( -1.685 -15.557 7.691) 17.436 5.030 ( -3.579 -16.187 -0.034) 16.578 5.281 ( 5.841 -4.774 -4.455) 8.761 5.624 ( 5.279 -13.079 1.120) 14.149 5.960 ( -2.066 -9.903 0.003) 10.116 6.200 ( -9.916 -8.048 2.270) 12.971 6.660 ( 2.964 -1.189 0.513) 3.234 7.153 ( 2.127 -7.522 -0.200) 7.819 7.233 ( -2.236 -3.075 -0.700) 3.866 8.103 ( -7.024 -11.206 1.720) 13.337 8.903 ( 4.404 -14.025 -8.069) 16.769 9.293 ( -3.513 8.162 0.739) 8.916 9.428 ( 1.896 13.522 0.502) 13.664 10.151 ( 7.716 13.142 9.538) 17.978 11.201 ( 0.246 22.196 -5.306) 22.823 11.809 ( 24.556 16.502 -0.893) 29.599 12.379 ( 3.608 12.091 1.266) 12.681 13.329 ( 2.035 17.858 1.873) 18.071 14.046 ( -1.974 15.095 -0.433) 15.229 14.289 ( 2.126 14.117 -4.463) 14.957 14.985 ( -1.104 6.497 4.047) 7.734 15.617 ( 0.353 7.559 2.001) 7.828 15.905 ( -3.914 4.715 -4.347) 7.514 16.205 ( 2.268 20.134 2.071) 20.367 16.792 ( 0.420 -1.936 -1.566) 2.525 17.001 ( -0.970 -3.991 2.374) 4.744 18.215 ( -7.414 -12.937 1.855) 15.026 18.519 ( -15.683 -28.087 0.246) 32.170 18.987 ( -2.218 8.934 -5.932) 10.951 19.185 ( 2.163 -7.346 2.122) 7.947 20.858 ( -7.826 -16.616 -3.820) 18.760 21.624 ( -17.621 -29.744 8.786) 35.671 21.846 ( -4.897 -20.789 -1.871) 21.440 22.406 ( -0.907 -21.979 -3.865) 22.335 23.298 ( -4.312 -13.065 9.862) 16.928 24.829 ( 21.097 9.052 -9.540) 24.860 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 21.697 -16.739 2.940) 27.561 1.753 ( 7.832 -20.076 -1.307) 21.589 2.799 ( 0.895 -7.676 4.945) 9.174 2.943 ( 3.110 -11.651 -2.962) 12.417 3.079 ( 10.342 -27.751 1.007) 29.632 3.176 ( 6.533 -17.769 -0.898) 18.954 3.300 ( 1.105 -12.387 -5.205) 13.482 3.564 ( -1.572 -0.622 1.066) 1.998 3.871 ( -2.431 -0.570 1.549) 2.938 4.247 ( -5.315 -9.231 1.009) 10.699 4.702 ( -0.490 -10.013 -2.406) 10.310 4.962 ( -3.598 -6.500 0.198) 7.432 5.169 ( -5.966 -20.000 3.293) 21.129 5.390 ( -1.337 -19.375 -4.493) 19.934 5.489 ( 1.222 -15.200 1.682) 15.341 5.913 ( 8.877 -10.385 -1.335) 13.727 6.186 ( -1.626 -15.077 -0.541) 15.174 6.339 ( -6.401 -12.144 3.310) 14.121 6.711 ( -3.410 -4.323 0.830) 5.568 7.158 ( -1.258 -0.270 -0.724) 1.476 7.507 ( 2.908 -17.279 -0.608) 17.533 8.253 ( -8.084 -8.749 0.748) 11.935 8.990 ( -2.295 8.985 -0.240) 9.276 9.139 ( -3.215 3.148 0.374) 4.515 9.393 ( 4.955 -9.328 -4.922) 11.652 9.964 ( 10.988 12.258 8.731) 18.634 10.792 ( 3.547 17.766 -4.268) 18.613 11.740 ( 18.001 7.248 -5.597) 20.197 12.182 ( 7.700 11.853 4.518) 14.839 12.991 ( 1.566 18.039 3.522) 18.446 13.736 ( -1.176 15.196 -1.306) 15.297 14.064 ( 2.960 11.719 -5.222) 13.167 14.808 ( -2.951 9.968 2.501) 10.692 15.425 ( 2.025 13.269 3.272) 13.816 15.727 ( -3.026 14.823 -4.081) 15.669 15.847 ( 0.620 13.412 2.757) 13.706 16.642 ( 1.668 13.689 -0.779) 13.812 17.222 ( -0.619 -14.320 1.435) 14.405 18.310 ( -12.811 -5.520 -0.308) 13.953 18.640 ( -7.010 1.101 -0.322) 7.103 18.983 ( -15.053 -12.971 -1.177) 19.905 19.500 ( 8.095 -15.801 -0.246) 17.756 21.120 ( -7.783 -15.927 -1.792) 17.818 21.858 ( -13.806 -14.873 4.390) 20.763 22.444 ( 2.277 -31.602 -1.069) 31.702 22.860 ( 6.564 -21.918 -4.677) 23.353 23.583 ( -7.675 -20.650 7.715) 23.342 24.815 ( 13.732 5.403 -4.343) 15.382 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 13.308 -14.686 2.252) 19.946 2.142 ( 6.443 -14.719 -0.483) 16.074 2.963 ( 1.235 -7.888 3.929) 8.898 3.139 ( 0.262 -7.908 1.602) 8.073 3.392 ( 2.871 -8.339 -12.831) 15.570 3.519 ( 4.960 -10.297 3.627) 11.991 3.582 ( 1.316 -6.343 0.017) 6.478 3.807 ( 3.301 -12.347 2.789) 13.081 3.912 ( 8.664 -13.601 0.684) 16.141 4.369 ( -7.752 -8.033 0.809) 11.193 4.847 ( -1.512 -6.051 -2.017) 6.555 5.054 ( 0.043 -5.737 0.676) 5.777 5.417 ( -1.117 -8.832 0.573) 8.921 5.731 ( -9.495 -17.897 -1.825) 20.342 5.833 ( -2.754 -19.293 -0.156) 19.489 6.125 ( 10.017 -4.378 2.027) 11.119 6.501 ( -1.791 -16.003 -1.891) 16.214 6.548 ( 3.842 -10.008 -0.456) 10.730 6.800 ( -12.517 -12.033 3.160) 17.648 7.204 ( 1.601 -4.629 -0.608) 4.935 7.868 ( 1.787 -17.110 -0.481) 17.210 8.260 ( -8.477 2.500 -1.438) 8.954 8.836 ( -2.537 2.022 2.860) 4.325 9.101 ( -4.245 -2.038 -1.221) 4.864 9.607 ( 5.106 -6.664 -1.166) 8.476 9.890 ( 11.807 2.800 4.321) 12.881 10.631 ( 6.748 3.327 -2.821) 8.035 11.714 ( 1.288 5.681 -8.095) 9.973 12.125 ( 19.612 0.890 5.572) 20.408 12.667 ( 0.898 15.983 5.002) 16.772 13.453 ( -0.376 13.313 -1.112) 13.364 13.855 ( 1.569 11.671 -4.921) 12.763 14.567 ( -5.546 11.373 0.265) 12.656 15.109 ( -2.388 20.851 5.150) 21.610 15.341 ( 0.975 18.490 -1.372) 18.566 15.694 ( 0.192 5.822 -0.617) 5.858 16.353 ( 1.878 16.661 -0.189) 16.768 17.470 ( 0.700 -10.627 0.950) 10.692 18.284 ( -11.976 -2.477 -1.297) 12.298 18.594 ( -4.601 -0.958 0.413) 4.718 19.123 ( -9.970 -10.381 -0.490) 14.402 19.802 ( 3.345 -10.539 -0.452) 11.066 21.352 ( -6.170 -13.040 -0.465) 14.433 22.052 ( -7.265 -12.659 1.715) 14.696 22.980 ( 4.794 -20.178 -0.956) 20.762 23.336 ( 3.878 -23.023 -2.095) 23.441 23.959 ( -5.781 -21.974 4.446) 23.153 24.820 ( 9.319 2.837 -2.256) 9.999 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 6.292 -10.094 1.580) 11.998 2.418 ( 4.601 -9.476 -0.002) 10.534 3.103 ( 0.894 -5.277 3.309) 6.292 3.248 ( 0.011 -3.422 0.598) 3.474 3.514 ( 1.112 -3.351 -9.651) 10.276 3.603 ( -2.633 -3.171 1.468) 4.375 3.802 ( 2.849 -5.497 1.403) 6.349 3.908 ( 6.875 -5.773 2.514) 9.323 4.343 ( 6.627 -13.042 1.187) 14.678 4.456 ( -4.347 -7.334 -0.695) 8.554 4.919 ( -3.037 -3.344 -0.418) 4.537 5.226 ( 10.281 -8.035 0.368) 13.054 5.530 ( -0.346 -3.952 0.358) 3.983 5.873 ( -18.330 -8.069 -3.054) 20.259 6.163 ( 0.024 -13.830 -1.669) 13.930 6.246 ( 6.547 -2.458 4.629) 8.386 6.639 ( 2.246 -1.833 1.245) 3.155 6.821 ( -1.445 -13.411 -6.585) 15.010 7.005 ( -8.197 -15.013 5.218) 17.883 7.353 ( 4.729 -7.624 0.168) 8.973 8.055 ( -7.815 4.531 -0.230) 9.036 8.203 ( 0.485 -10.134 -3.364) 10.689 8.827 ( -2.672 -1.158 4.624) 5.465 9.160 ( -1.560 -5.644 -2.327) 6.301 9.737 ( 4.554 -3.785 1.381) 6.080 10.030 ( 9.272 -8.048 1.519) 12.371 10.684 ( 4.963 -1.874 -1.804) 5.603 11.556 ( -4.730 6.768 -5.812) 10.097 12.350 ( 4.846 3.853 -1.096) 6.287 12.469 ( 17.343 -5.058 9.381) 20.356 13.224 ( -0.451 9.601 -1.221) 9.689 13.640 ( -2.049 9.955 -3.774) 10.841 14.291 ( -9.011 12.048 -1.656) 15.136 14.607 ( -1.594 26.053 4.409) 26.471 15.085 ( 1.333 9.705 -0.102) 9.797 15.598 ( 0.626 4.445 -0.934) 4.585 16.060 ( 1.510 13.804 0.207) 13.888 17.634 ( 1.310 -5.544 0.438) 5.713 18.256 ( -8.194 -2.334 -0.421) 8.530 18.593 ( -2.930 -1.471 0.179) 3.283 19.232 ( -5.305 -6.567 -0.511) 8.457 19.967 ( 1.076 -5.250 -0.167) 5.362 21.525 ( -3.883 -8.430 -0.051) 9.282 22.225 ( -3.215 -8.747 0.518) 9.333 23.304 ( 4.262 -10.510 -0.242) 11.344 23.765 ( 1.096 -17.999 -0.838) 18.052 24.303 ( -2.429 -15.638 2.124) 15.968 24.837 ( 5.621 1.297 -1.285) 5.910 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 1.756 -3.586 0.645) 4.045 2.569 ( 1.705 -3.455 0.024) 3.853 3.172 ( -0.009 -1.537 1.576) 2.201 3.291 ( 0.560 -1.052 -0.636) 1.351 3.547 ( -0.713 -0.388 -1.284) 1.519 3.631 ( -0.309 -0.995 -1.391) 1.738 3.871 ( 0.145 -1.729 1.176) 2.096 4.053 ( 4.388 -2.548 0.401) 5.090 4.452 ( -3.419 -2.573 0.635) 4.326 4.618 ( 3.178 -4.421 -0.690) 5.489 4.944 ( -1.252 -1.084 0.161) 1.664 5.461 ( 12.244 -4.939 0.763) 13.224 5.579 ( 0.141 -1.529 0.117) 1.540 5.821 ( -15.081 -1.046 -1.993) 15.248 6.277 ( 3.013 -0.104 0.279) 3.027 6.378 ( -0.707 -5.330 1.016) 5.472 6.666 ( 0.371 -0.423 0.019) 0.563 6.998 ( -1.186 -5.381 -1.934) 5.839 7.182 ( -1.834 -5.799 1.780) 6.337 7.524 ( 4.374 -4.931 0.774) 6.637 7.893 ( -5.439 4.226 -1.405) 7.030 8.372 ( 0.254 -4.828 -1.154) 4.970 8.824 ( -0.960 -0.084 2.428) 2.612 9.250 ( -0.156 -3.073 -1.101) 3.268 9.817 ( 1.855 -1.633 0.300) 2.489 10.268 ( 4.925 -8.265 1.393) 9.721 10.696 ( -0.045 2.491 -0.964) 2.672 11.451 ( -2.114 1.064 -2.901) 3.744 12.205 ( -0.397 4.930 1.879) 5.291 12.865 ( 15.983 -10.147 3.811) 19.312 13.116 ( 0.659 -1.188 -1.904) 2.339 13.447 ( -7.639 6.506 -2.300) 10.294 13.943 ( -7.527 13.736 -0.301) 15.666 14.249 ( 1.849 9.108 1.391) 9.397 14.968 ( 0.344 3.120 0.080) 3.140 15.535 ( 0.277 2.056 -0.421) 2.117 15.879 ( 0.583 5.086 0.153) 5.122 17.708 ( 0.648 -1.569 0.089) 1.700 18.250 ( -2.935 -1.075 0.012) 3.126 18.600 ( -0.994 -0.622 0.017) 1.173 19.293 ( -1.637 -2.253 -0.227) 2.794 20.035 ( 0.226 -1.585 -0.022) 1.601 21.616 ( -1.319 -2.884 0.010) 3.172 22.328 ( -0.857 -3.148 0.091) 3.264 23.461 ( 1.546 -3.472 0.047) 3.801 24.013 ( 0.174 -6.562 -0.298) 6.571 24.503 ( -0.499 -5.643 0.701) 5.708 24.847 ( 1.920 0.469 -0.487) 2.035 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 19.149 0.000 1.328) 19.195 0.424 ( 29.229 0.000 -3.329) 29.418 0.877 ( 59.363 0.000 2.127) 59.401 2.577 ( 1.100 0.000 -4.362) 4.498 2.674 ( 5.841 0.000 -0.378) 5.853 2.695 ( 0.849 0.000 4.877) 4.950 3.090 ( -4.415 -0.000 -3.213) 5.460 3.603 ( -2.191 -0.000 3.113) 3.807 3.677 ( -0.845 -0.000 -0.569) 1.019 3.904 ( -1.955 -0.000 -0.528) 2.025 4.238 ( -1.880 -0.000 -0.092) 1.882 4.254 ( -3.885 -0.000 1.583) 4.195 4.448 ( -0.010 -0.000 -2.102) 2.102 4.767 ( -3.625 -0.000 0.952) 3.748 5.219 ( 3.138 0.000 -10.192) 10.665 5.317 ( 7.300 0.000 9.968) 12.355 5.764 ( -1.993 -0.000 -0.503) 2.055 6.043 ( -14.252 -0.000 0.624) 14.265 6.675 ( 7.554 0.000 0.419) 7.566 6.905 ( 2.042 0.000 0.092) 2.044 7.283 ( -5.632 -0.000 -0.070) 5.633 7.756 ( 1.054 0.000 -0.009) 1.054 8.574 ( 4.491 0.000 -41.534) 41.776 9.543 ( -3.692 -0.000 6.482) 7.459 9.798 ( 0.228 0.000 2.428) 2.439 10.498 ( 2.579 0.000 27.370) 27.492 11.846 ( 0.946 0.000 3.896) 4.009 12.708 ( 2.384 0.000 -0.369) 2.412 13.181 ( 2.638 0.000 -4.394) 5.125 13.920 ( 0.006 0.000 0.041) 0.041 14.249 ( 1.693 0.000 8.657) 8.821 14.576 ( -3.583 -0.000 28.971) 29.192 14.786 ( 1.044 0.000 -12.692) 12.734 15.221 ( -0.085 -0.000 -0.008) 0.085 16.036 ( -6.118 -0.000 -1.873) 6.398 16.615 ( -4.553 -0.000 1.531) 4.804 16.741 ( 2.451 0.000 1.982) 3.152 16.771 ( -0.107 -0.000 -0.074) 0.130 17.608 ( -2.952 -0.000 -1.842) 3.480 18.540 ( -0.222 -0.000 0.048) 0.227 18.929 ( 0.012 0.000 -33.509) 33.509 19.049 ( 0.094 0.000 0.014) 0.095 19.980 ( -0.261 -0.000 49.417) 49.418 20.540 ( -0.004 -0.000 -0.015) 0.016 20.691 ( -3.300 -0.000 -5.556) 6.462 21.866 ( -1.766 -0.000 -0.430) 1.817 23.171 ( 0.734 0.000 16.832) 16.848 25.714 ( 0.993 0.000 -57.600) 57.609 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 19.986 -21.671 -6.260) 30.138 0.972 ( 17.973 -26.316 6.866) 32.599 1.519 ( 43.486 -27.794 0.335) 51.610 2.617 ( 2.928 -2.962 -2.668) 4.946 2.694 ( 1.270 -0.563 -1.296) 1.900 2.785 ( 6.457 -5.371 5.352) 9.959 3.063 ( -4.191 -1.714 -4.792) 6.593 3.573 ( -2.485 0.608 2.105) 3.313 3.742 ( -2.629 -5.626 0.427) 6.224 3.952 ( -3.174 -5.677 -0.534) 6.526 4.227 ( -4.459 -7.217 -0.399) 8.493 4.402 ( -7.908 -13.960 2.771) 16.282 4.572 ( 5.309 -10.701 -2.187) 12.144 4.792 ( -5.571 -5.930 1.242) 8.231 5.274 ( 6.247 -2.061 -11.044) 12.854 5.445 ( 7.716 -8.062 8.316) 13.917 5.796 ( -2.939 -5.052 -0.423) 5.860 5.975 ( -15.506 -4.830 2.920) 16.501 6.709 ( 5.891 1.644 0.599) 6.146 7.000 ( 3.256 -7.386 -0.116) 8.072 7.210 ( -7.745 1.559 -0.797) 7.940 7.866 ( -3.285 -8.303 1.375) 9.035 8.700 ( 6.296 -9.361 -16.424) 19.925 9.430 ( -3.935 7.613 2.401) 8.900 9.684 ( -0.558 10.549 0.481) 10.575 10.426 ( 7.026 8.756 17.127) 20.479 11.624 ( 5.224 19.122 -5.014) 20.447 12.472 ( 26.835 30.857 -5.937) 41.322 12.642 ( 10.874 11.053 4.774) 16.224 13.681 ( 6.544 14.419 0.429) 15.840 14.293 ( -4.619 11.866 0.963) 12.770 14.583 ( 0.585 13.969 -4.405) 14.658 14.985 ( -7.449 -9.567 8.417) 14.760 15.541 ( -11.348 -16.459 1.630) 20.058 15.925 ( -6.553 3.175 -5.161) 8.926 16.572 ( 0.957 5.968 5.080) 7.895 16.636 ( -1.591 0.710 -3.242) 3.681 16.992 ( -0.652 -6.118 2.210) 6.537 17.778 ( -7.767 -21.846 2.825) 23.357 18.080 ( 2.086 3.806 -2.579) 5.049 19.035 ( -4.061 -4.284 4.991) 7.730 19.220 ( -9.324 10.651 -14.828) 20.500 20.423 ( -18.554 -24.868 -2.637) 31.139 20.829 ( -12.620 -32.192 17.694) 38.841 21.213 ( -9.693 -40.794 -0.700) 41.936 21.959 ( -4.536 -13.739 -2.506) 14.683 23.176 ( 1.849 -0.847 10.970) 11.156 25.342 ( 20.905 24.849 -21.857) 39.144 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 15.080 -21.029 -3.304) 26.087 1.497 ( 25.212 -13.857 4.966) 29.195 2.455 ( 25.581 -38.434 0.584) 46.172 2.698 ( 1.737 -3.932 5.894) 7.295 2.794 ( 2.807 -8.305 -8.309) 12.079 2.982 ( 7.771 -9.734 7.307) 14.441 3.121 ( -1.576 -6.925 -8.468) 11.052 3.547 ( -2.497 0.145 0.595) 2.571 3.808 ( -4.222 -3.497 1.631) 5.720 4.047 ( -5.025 -7.209 0.064) 8.787 4.432 ( -4.151 -14.985 -3.026) 15.841 4.686 ( -7.924 -20.650 5.355) 22.757 4.808 ( -0.840 -8.540 -1.081) 8.649 4.981 ( -1.788 -18.371 -1.043) 18.487 5.375 ( 6.446 -3.711 -6.328) 9.766 5.728 ( 8.527 -14.050 2.917) 16.692 5.914 ( -5.252 -10.342 1.307) 11.672 6.023 ( -12.298 -10.811 3.051) 16.657 6.707 ( 3.076 1.765 0.588) 3.595 7.127 ( -7.110 -0.142 -1.043) 7.187 7.233 ( 3.032 -12.927 -0.478) 13.286 8.013 ( -4.488 -9.641 1.186) 10.700 8.969 ( 4.483 -10.862 -7.344) 13.857 9.238 ( -4.048 7.729 0.781) 8.760 9.427 ( -1.856 12.015 -0.350) 12.162 10.284 ( 8.953 11.850 12.985) 19.728 11.245 ( 5.958 23.247 -7.058) 25.015 12.144 ( 15.664 20.102 -10.166) 27.438 12.515 ( 17.437 13.011 9.223) 23.631 13.382 ( 5.481 19.619 4.256) 20.810 14.015 ( -1.877 14.174 -2.337) 14.488 14.328 ( 3.280 12.974 -7.019) 15.111 14.962 ( -2.171 6.598 6.984) 9.850 15.598 ( -3.391 2.670 2.157) 4.825 15.828 ( -6.134 2.665 -6.627) 9.415 16.253 ( 3.754 21.631 3.574) 22.243 16.794 ( -0.273 -6.069 -2.920) 6.740 16.992 ( 0.109 -1.212 4.765) 4.918 18.021 ( -18.864 -10.874 4.617) 22.258 18.316 ( -11.061 -24.905 -3.183) 27.436 18.819 ( -15.105 8.560 -6.088) 18.398 19.300 ( 9.549 -11.298 1.579) 14.877 20.716 ( -10.495 -19.062 -5.468) 22.436 21.350 ( -14.863 -27.851 11.160) 33.484 21.834 ( 0.988 -30.698 -2.213) 30.793 22.368 ( -4.851 -29.814 -5.131) 30.639 23.258 ( -1.182 -7.751 9.445) 12.275 25.115 ( 16.330 14.040 -8.249) 23.061 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 14.462 -14.612 0.035) 20.559 1.920 ( 18.770 -13.416 1.785) 23.141 2.819 ( 1.523 -7.484 5.255) 9.270 2.971 ( 1.038 -9.454 -0.184) 9.513 3.214 ( 2.743 -11.172 -5.958) 12.955 3.303 ( 13.134 -20.513 -4.365) 24.745 3.385 ( 11.372 -22.711 2.519) 25.523 3.545 ( 0.154 -3.083 -0.368) 3.109 3.835 ( -2.195 -2.719 2.797) 4.476 4.152 ( -7.401 -8.057 0.024) 10.940 4.664 ( -4.221 -11.016 -3.483) 12.301 4.909 ( -4.157 -9.088 4.958) 11.155 5.101 ( -3.518 -21.034 -0.176) 21.327 5.341 ( -3.057 -17.507 -4.941) 18.446 5.527 ( 2.830 -9.584 -0.064) 9.993 6.035 ( 4.280 -10.507 2.461) 11.609 6.166 ( -1.672 -17.867 -1.929) 18.049 6.210 ( -7.189 -17.145 4.184) 19.056 6.689 ( 0.572 1.294 0.283) 1.443 7.110 ( -5.768 -3.750 -1.117) 6.970 7.549 ( 2.600 -16.704 -0.502) 16.912 8.148 ( -5.759 -6.984 0.531) 9.067 8.948 ( -3.733 9.978 0.388) 10.661 9.085 ( -4.094 4.174 -0.928) 5.920 9.456 ( 3.873 -11.023 -2.831) 12.022 10.122 ( 9.211 10.780 9.094) 16.845 10.890 ( 9.813 17.142 -4.870) 20.344 11.907 ( 4.599 12.750 -10.687) 17.260 12.410 ( 21.312 11.454 8.386) 25.607 13.034 ( 4.935 19.884 5.756) 21.281 13.726 ( -0.032 14.560 -2.840) 14.834 14.115 ( 4.097 12.495 -7.100) 14.944 14.749 ( -5.110 11.581 3.250) 13.069 15.414 ( -3.895 12.915 3.533) 13.945 15.691 ( -1.514 12.096 -5.953) 13.566 15.886 ( 4.775 15.661 5.177) 17.172 16.674 ( 2.711 13.787 -1.150) 14.098 17.208 ( -1.483 -15.510 2.900) 15.849 18.060 ( -20.006 -8.472 0.324) 21.728 18.538 ( -6.758 -2.226 -3.784) 8.058 18.749 ( -16.089 -15.824 0.353) 22.569 19.611 ( 6.937 -12.599 -0.254) 14.385 21.010 ( -6.479 -17.318 -1.802) 18.578 21.702 ( -7.192 -18.484 4.387) 20.313 22.475 ( 1.743 -32.644 -1.456) 32.723 22.917 ( 1.101 -26.009 -5.660) 26.640 23.483 ( -5.636 -18.567 8.307) 21.107 25.003 ( 11.208 8.360 -3.488) 14.411 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 12.562 -9.789 1.205) 15.971 2.273 ( 12.385 -10.832 0.827) 16.474 2.983 ( 1.131 -7.635 4.328) 8.849 3.142 ( 0.049 -7.434 1.367) 7.558 3.402 ( -1.027 -8.425 -11.876) 14.597 3.528 ( -0.716 -2.504 1.234) 2.882 3.682 ( 7.736 -11.148 -1.056) 13.610 3.829 ( 1.994 -6.247 5.754) 8.724 4.086 ( 10.881 -19.209 1.003) 22.100 4.256 ( -5.587 -8.958 -1.600) 10.678 4.798 ( -3.939 -6.575 -0.523) 7.683 5.103 ( 5.651 -11.118 1.657) 12.581 5.397 ( -3.275 -10.917 1.087) 11.449 5.560 ( -9.806 -10.651 -4.390) 15.129 5.819 ( 0.160 -18.233 -1.501) 18.295 6.209 ( -2.244 -6.663 4.753) 8.486 6.471 ( -1.096 -16.488 -0.894) 16.548 6.593 ( -1.860 -18.957 2.347) 19.192 6.683 ( 2.807 -2.090 -1.603) 3.849 7.201 ( -2.589 -8.799 -0.514) 9.187 7.882 ( 0.045 -15.320 -0.008) 15.320 8.151 ( -5.781 2.191 -1.803) 6.440 8.778 ( -5.618 1.957 2.697) 6.531 9.056 ( -2.030 -3.301 -1.297) 4.086 9.665 ( 3.144 -6.727 0.530) 7.445 10.057 ( 10.156 2.290 3.535) 10.995 10.752 ( 9.451 5.280 -2.637) 11.142 11.686 ( -3.780 10.512 -8.019) 13.751 12.425 ( 15.928 1.983 4.087) 16.563 12.715 ( 8.020 15.786 6.623) 18.905 13.458 ( 1.305 13.490 -2.227) 13.734 13.882 ( 1.902 14.038 -5.614) 15.238 14.469 ( -7.222 12.307 0.708) 14.287 15.058 ( -4.008 20.719 4.379) 21.553 15.350 ( -0.522 17.426 -1.995) 17.547 15.731 ( 5.165 7.578 1.148) 9.242 16.386 ( 2.615 17.104 -0.210) 17.304 17.477 ( -0.041 -12.104 1.862) 12.247 18.074 ( -15.475 -6.937 -1.092) 16.994 18.528 ( -4.399 -2.319 -0.440) 4.992 18.967 ( -10.845 -14.857 -0.729) 18.409 19.851 ( 3.249 -8.190 -0.480) 8.824 21.281 ( -3.179 -13.991 -0.286) 14.350 21.987 ( -1.602 -14.149 1.423) 14.310 23.038 ( 3.038 -21.651 -1.239) 21.898 23.372 ( 0.883 -21.578 -1.957) 21.684 23.878 ( -5.117 -24.260 4.208) 25.149 24.943 ( 7.029 5.013 -1.756) 8.810 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 8.545 -5.541 0.591) 10.202 2.514 ( 8.994 -5.821 1.379) 10.801 3.109 ( -0.215 -4.745 2.814) 5.521 3.249 ( -0.105 -3.708 -0.219) 3.716 3.505 ( -1.741 -3.565 -5.131) 6.485 3.587 ( 0.368 -3.205 -2.830) 4.292 3.819 ( 0.294 -3.542 3.172) 4.764 3.997 ( 1.920 -5.690 1.350) 6.155 4.335 ( 0.331 -8.124 1.118) 8.208 4.495 ( 3.324 -10.382 -1.626) 11.022 4.880 ( -1.969 -4.310 0.646) 4.783 5.388 ( 5.773 -9.398 0.187) 11.032 5.515 ( -2.078 -5.182 0.482) 5.604 5.652 ( -4.975 -7.440 -1.168) 9.026 6.155 ( -0.694 -14.231 -6.706) 15.747 6.270 ( -4.687 -3.330 6.114) 8.393 6.636 ( -3.046 -2.174 0.617) 3.793 6.806 ( 0.786 -13.349 2.878) 13.678 6.988 ( 5.706 -14.116 -2.634) 15.452 7.386 ( -1.211 -10.384 0.259) 10.458 7.951 ( -5.120 4.933 0.404) 7.121 8.207 ( -0.049 -10.701 -3.626) 11.299 8.754 ( -7.208 -2.880 4.520) 8.982 9.161 ( 1.380 -6.618 -2.168) 7.099 9.781 ( 1.839 -3.757 2.424) 4.834 10.174 ( 9.898 -5.739 0.791) 11.468 10.750 ( 3.674 2.169 -1.687) 4.588 11.472 ( -6.261 6.203 -5.611) 10.448 12.342 ( -3.184 9.250 4.145) 10.624 12.782 ( 20.642 -8.786 4.058) 22.798 13.227 ( 1.326 10.866 -2.659) 11.265 13.606 ( -2.901 13.326 -3.514) 14.083 14.161 ( -7.055 14.422 -0.131) 16.055 14.607 ( 1.243 22.301 3.641) 22.630 15.078 ( -2.445 9.390 -1.432) 9.808 15.629 ( 3.549 6.230 0.460) 7.185 16.086 ( 1.969 14.563 0.149) 14.696 17.657 ( 1.806 -5.470 0.860) 5.825 18.118 ( -10.039 -7.437 -0.317) 12.498 18.553 ( -2.463 -2.540 0.064) 3.539 19.149 ( -5.821 -10.075 -0.865) 11.668 19.985 ( 1.358 -4.179 -0.277) 4.402 21.494 ( -0.266 -9.128 0.035) 9.132 22.215 ( 1.647 -8.972 0.334) 9.128 23.347 ( 1.481 -9.650 -0.337) 9.769 23.771 ( -0.268 -17.850 -0.383) 17.856 24.269 ( -2.171 -17.481 1.581) 17.686 24.902 ( 3.231 3.234 -1.009) 4.681 ======================= Grid point 20 (14/231) ======================= q-point: ( 0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 4.863 0.293 -0.511) 4.898 2.621 ( 5.724 0.633 1.647) 5.989 3.166 ( -0.744 -1.803 -0.016) 1.951 3.289 ( -0.920 -0.759 0.068) 1.195 3.541 ( 0.173 -1.354 -1.426) 1.974 3.632 ( 0.389 -1.047 -0.931) 1.454 3.873 ( 0.107 -1.534 1.087) 1.883 4.034 ( -6.188 -0.522 0.477) 6.228 4.482 ( 6.502 -3.204 -0.392) 7.260 4.614 ( -3.462 -2.232 0.015) 4.119 4.939 ( 0.659 -2.319 0.463) 2.455 5.408 ( -14.404 0.016 -1.092) 14.445 5.577 ( -0.559 -1.459 -0.062) 1.564 5.886 ( 18.422 -7.468 2.225) 20.003 6.220 ( -9.311 -1.279 -1.033) 9.455 6.389 ( 1.964 -5.093 -3.532) 6.502 6.652 ( -1.355 -1.246 2.864) 3.405 7.006 ( 0.776 -5.577 3.631) 6.700 7.221 ( 7.044 -4.767 -3.725) 9.285 7.506 ( -6.836 -2.923 -0.341) 7.443 7.879 ( 3.601 -0.447 1.350) 3.872 8.365 ( -1.088 -4.882 -2.401) 5.548 8.763 ( -7.071 -3.391 3.170) 8.459 9.277 ( 3.351 -2.401 -1.876) 4.529 9.826 ( -0.475 0.025 1.909) 1.967 10.345 ( 5.297 -1.814 -0.223) 5.603 10.683 ( -1.684 3.057 -0.863) 3.595 11.399 ( -4.588 -2.444 -2.437) 5.741 12.190 ( -2.054 3.170 3.636) 5.243 12.949 ( -3.858 8.050 -1.906) 9.128 13.163 ( 2.391 -0.116 -0.884) 2.552 13.431 ( 8.063 -2.496 -0.065) 8.440 13.859 ( -3.453 8.206 -0.134) 8.904 14.296 ( 4.137 10.996 2.230) 11.958 14.946 ( -3.148 2.224 -1.460) 4.122 15.552 ( 1.914 3.320 0.828) 3.921 15.890 ( 0.926 6.088 0.065) 6.158 17.720 ( 0.915 -0.440 0.208) 1.036 18.205 ( -3.038 -5.908 0.218) 6.648 18.585 ( -1.075 -1.961 -0.052) 2.237 19.267 ( -1.932 -4.931 -0.480) 5.318 20.042 ( 0.589 -1.065 -0.164) 1.228 21.624 ( 2.224 -3.470 0.057) 4.122 22.348 ( 3.459 -2.779 -0.025) 4.437 23.460 ( -1.521 -2.312 -0.002) 2.767 24.012 ( -0.309 -6.563 0.133) 6.571 24.494 ( -0.649 -6.490 0.289) 6.529 24.858 ( -0.341 2.420 -0.372) 2.472 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 1.760 7.521 -1.524) 7.873 2.567 ( 1.415 7.577 1.347) 7.825 3.167 ( -0.489 1.720 -2.445) 3.029 3.279 ( -0.912 0.450 0.854) 1.327 3.554 ( -0.011 1.146 1.614) 1.979 3.644 ( 1.427 -0.153 0.753) 1.621 3.868 ( -0.454 2.336 -0.442) 2.421 3.946 ( -8.346 3.638 -0.642) 9.127 4.484 ( -5.805 6.144 -0.112) 8.454 4.585 ( 4.340 2.500 -1.049) 5.117 4.975 ( 2.687 0.276 0.996) 2.879 5.266 ( -10.552 3.954 0.055) 11.269 5.579 ( -0.106 1.016 -0.245) 1.050 6.073 ( 5.971 -0.189 0.215) 5.978 6.180 ( 1.137 0.634 2.399) 2.729 6.407 ( 2.896 5.294 -5.517) 8.176 6.652 ( -0.819 0.801 2.641) 2.879 7.015 ( -0.084 4.959 4.245) 6.528 7.270 ( 8.832 5.466 -4.868) 11.470 7.423 ( -7.696 4.079 -0.119) 8.711 7.996 ( 7.283 -5.659 2.304) 9.506 8.359 ( -1.299 4.640 0.408) 4.836 8.790 ( -4.966 -4.074 -1.416) 6.577 9.285 ( 4.152 4.139 -0.208) 5.867 9.770 ( -4.509 3.730 1.431) 6.024 10.206 ( -3.384 13.069 -2.539) 13.737 10.687 ( -1.210 -0.497 0.867) 1.570 11.460 ( -0.804 -5.776 2.333) 6.282 12.207 ( -0.178 -5.364 1.113) 5.481 12.598 ( -17.368 16.926 -5.196) 24.802 13.119 ( 0.266 -1.174 0.216) 1.223 13.574 ( 8.246 0.110 2.610) 8.650 14.056 ( 6.975 -23.642 -0.894) 24.666 14.250 ( 2.154 -3.998 0.586) 4.579 14.940 ( -3.044 -3.854 -1.264) 5.071 15.543 ( 1.162 -1.224 1.303) 2.133 15.873 ( -0.216 -4.129 -0.202) 4.140 17.701 ( -0.366 2.458 0.031) 2.486 18.287 ( 2.050 -2.815 0.106) 3.484 18.613 ( 0.777 -1.078 -0.008) 1.329 19.313 ( 1.027 -0.313 -0.042) 1.074 20.035 ( 0.138 2.110 -0.087) 2.117 21.659 ( 4.126 2.279 0.050) 4.714 22.373 ( 5.004 3.305 -0.248) 6.002 23.416 ( -4.320 4.562 0.023) 6.283 24.006 ( -0.698 6.868 0.512) 6.922 24.509 ( 0.429 4.623 -0.898) 4.729 24.805 ( -3.563 1.524 0.516) 3.909 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -2.484 16.148 -1.523) 16.408 2.370 ( -2.179 11.959 0.511) 12.166 3.088 ( -0.875 5.584 -2.379) 6.132 3.253 ( 0.771 3.109 -1.729) 3.640 3.484 ( -2.915 4.529 7.802) 9.480 3.643 ( 1.916 3.287 -1.453) 4.073 3.722 ( -6.207 9.333 0.391) 11.216 3.855 ( -1.045 1.051 -2.624) 3.014 4.197 ( -10.030 16.375 -0.037) 19.203 4.555 ( 6.338 5.430 -1.454) 8.471 4.943 ( -0.832 4.062 1.185) 4.312 5.150 ( 0.967 3.682 1.151) 3.977 5.533 ( 0.064 3.720 -0.611) 3.770 6.007 ( -10.071 3.345 -2.919) 11.006 6.162 ( 11.558 9.109 7.097) 16.338 6.229 ( 3.019 14.655 -4.946) 15.760 6.604 ( -2.622 2.915 -0.459) 3.947 6.828 ( 0.299 13.738 3.876) 14.278 7.159 ( 10.158 12.367 -4.385) 16.594 7.276 ( -4.804 5.585 0.883) 7.420 8.135 ( 1.725 5.638 -1.511) 6.087 8.219 ( 3.578 -0.376 4.618) 5.854 8.833 ( -1.289 -2.076 -3.701) 4.435 9.213 ( 5.449 5.553 1.458) 7.916 9.637 ( -8.977 4.114 0.024) 9.875 9.922 ( -5.032 11.254 -1.850) 12.465 10.615 ( -4.101 4.205 1.477) 6.057 11.604 ( 1.570 -7.337 4.427) 8.712 12.125 ( -16.365 13.818 -1.076) 21.445 12.397 ( -0.292 -11.115 -5.008) 12.195 13.233 ( 0.566 -9.361 0.066) 9.379 13.671 ( 2.081 -6.513 2.987) 7.462 14.391 ( 4.344 -9.980 1.493) 10.987 14.652 ( 4.175 -27.648 -3.495) 28.179 15.051 ( -2.714 -10.094 -0.373) 10.459 15.605 ( 1.159 -3.951 1.348) 4.332 16.042 ( -0.940 -13.179 -0.199) 13.214 17.618 ( -0.802 5.766 -0.130) 5.823 18.348 ( 4.362 -1.334 0.278) 4.570 18.637 ( 2.885 0.001 -0.087) 2.887 19.299 ( 3.656 3.334 0.192) 4.952 19.954 ( -0.628 6.393 0.094) 6.424 21.597 ( 5.218 7.690 0.130) 9.295 22.305 ( 7.182 7.961 -0.698) 10.745 23.225 ( -6.233 11.026 0.394) 12.672 23.741 ( -1.931 19.006 0.656) 19.116 24.338 ( 2.395 13.608 -1.972) 13.957 24.747 ( -6.101 0.802 1.298) 6.288 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -8.414 21.901 -1.468) 23.507 2.073 ( -3.090 16.739 0.414) 17.027 2.950 ( -0.463 7.820 -2.373) 8.185 3.135 ( -0.151 9.502 -0.846) 9.541 3.326 ( -5.210 9.919 3.259) 11.669 3.451 ( -2.841 11.416 3.995) 12.424 3.589 ( 0.213 5.303 -3.030) 6.111 3.720 ( -5.070 23.380 0.309) 23.925 3.874 ( 0.309 -0.816 -1.148) 1.442 4.460 ( 4.436 8.424 -1.177) 9.593 4.834 ( -2.166 5.392 1.035) 5.903 5.105 ( 5.404 4.744 1.493) 7.345 5.434 ( 1.036 6.973 -1.029) 7.125 5.766 ( -3.051 17.725 -0.916) 18.009 5.914 ( 5.562 20.596 -5.433) 22.014 6.004 ( -4.576 8.071 7.243) 11.771 6.497 ( -1.731 9.127 -3.715) 10.005 6.531 ( 0.902 13.546 3.408) 13.997 6.963 ( 8.691 14.242 -1.931) 16.795 7.173 ( -2.164 1.962 0.580) 2.978 7.839 ( -1.782 17.975 0.426) 18.068 8.376 ( 6.467 -3.580 1.063) 7.468 8.856 ( 0.466 -2.792 -2.192) 3.581 9.184 ( 7.199 2.621 0.394) 7.671 9.496 ( -10.333 3.834 2.192) 11.237 9.749 ( -6.112 0.658 -3.203) 6.932 10.561 ( -2.934 -3.641 1.693) 4.973 11.620 ( -9.804 4.410 3.527) 11.314 11.951 ( -4.289 -6.708 -2.506) 8.347 12.660 ( -0.203 -15.395 -2.491) 15.597 13.463 ( 0.734 -13.452 0.224) 13.474 13.839 ( -0.736 -9.795 2.949) 10.256 14.625 ( 2.423 -10.975 -0.089) 11.239 15.118 ( -0.579 -17.125 -3.517) 17.492 15.338 ( 0.472 -21.252 0.877) 21.276 15.708 ( 1.496 -5.682 0.787) 5.928 16.332 ( -0.984 -16.406 0.117) 16.435 17.461 ( -0.441 10.074 -0.325) 10.089 18.409 ( 5.114 -1.159 0.876) 5.316 18.658 ( 3.717 0.030 -0.587) 3.763 19.245 ( 6.272 5.773 0.317) 8.531 19.758 ( -2.413 13.343 0.279) 13.562 21.442 ( 5.200 12.096 0.390) 13.172 22.185 ( 9.735 10.417 -1.484) 14.334 22.901 ( -5.672 18.114 0.940) 19.004 23.273 ( -4.014 25.883 1.034) 26.212 24.037 ( 4.480 19.481 -3.112) 20.231 24.689 ( -7.700 -0.146 1.976) 7.951 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -10.408 24.396 -1.235) 26.552 1.676 ( -2.704 22.052 0.531) 22.224 2.793 ( 0.102 7.944 -2.350) 8.285 2.891 ( -2.757 16.942 1.159) 17.204 2.984 ( -2.924 27.101 1.166) 27.283 3.110 ( -2.199 15.569 -1.492) 15.794 3.300 ( 0.184 9.816 2.813) 10.213 3.581 ( 0.627 0.456 -0.636) 1.003 3.898 ( 1.050 -0.136 -0.452) 1.151 4.301 ( 1.931 9.961 -0.595) 10.164 4.694 ( -0.805 8.785 0.643) 8.846 5.012 ( 2.358 8.325 1.364) 8.760 5.257 ( 5.546 17.099 -5.660) 18.846 5.356 ( -4.457 16.403 5.849) 17.976 5.504 ( 1.637 22.671 -2.463) 22.863 5.812 ( -4.163 9.156 1.810) 10.220 6.208 ( 1.064 14.514 -0.080) 14.553 6.388 ( 1.107 6.633 -1.090) 6.812 6.764 ( 2.652 10.017 -0.512) 10.375 7.163 ( -0.154 -1.295 0.244) 1.327 7.473 ( -1.387 17.361 0.319) 17.419 8.355 ( 4.495 8.882 -0.477) 9.966 9.016 ( 1.001 -8.976 0.382) 9.039 9.179 ( 2.046 1.433 -1.367) 2.847 9.318 ( -4.335 5.361 3.669) 7.810 9.840 ( -4.652 -12.575 -3.772) 13.928 10.774 ( 0.105 -19.352 1.599) 19.418 11.502 ( -10.362 -2.294 0.863) 10.648 12.131 ( -0.991 -11.463 -0.669) 11.525 12.977 ( -0.380 -17.362 -1.130) 17.402 13.753 ( 0.771 -15.672 0.269) 15.693 14.033 ( -1.185 -11.085 1.963) 11.320 14.835 ( 0.882 -9.242 -0.913) 9.329 15.389 ( -1.755 -13.227 -1.331) 13.409 15.760 ( 1.079 -17.619 1.717) 17.735 15.853 ( 0.741 -10.210 -1.130) 10.299 16.626 ( -0.566 -13.633 0.293) 13.648 17.228 ( 0.216 13.431 -0.390) 13.438 18.428 ( 3.727 4.255 0.314) 5.665 18.725 ( 3.624 -5.418 -0.531) 6.540 19.166 ( 8.653 9.800 1.175) 13.126 19.386 ( -6.389 20.265 -0.294) 21.251 21.211 ( 3.635 14.955 0.735) 15.408 22.056 ( 10.081 10.127 -2.204) 14.458 22.415 ( -1.457 30.270 0.680) 30.313 22.757 ( -5.585 21.244 1.748) 22.036 23.679 ( 4.335 19.991 -3.519) 20.756 24.645 ( -7.523 -1.105 2.483) 7.999 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 23.816 -0.000) 23.816 1.186 ( 0.000 27.138 -0.000) 27.138 2.128 ( 0.000 47.948 -0.000) 47.948 2.663 ( 0.000 6.363 -0.000) 6.363 2.726 ( 0.000 5.917 -0.000) 5.917 2.876 ( 0.000 9.759 -0.000) 9.759 3.164 ( 0.000 4.664 -0.000) 4.664 3.588 ( -0.000 -0.698 0.000) 0.698 3.874 ( 0.000 3.392 -0.000) 3.392 4.125 ( 0.000 8.359 -0.000) 8.359 4.467 ( 0.000 13.504 -0.000) 13.504 4.806 ( 0.000 14.120 -0.000) 14.120 4.849 ( 0.000 21.130 -0.000) 21.130 5.060 ( 0.000 15.213 -0.000) 15.213 5.232 ( 0.000 5.365 -0.000) 5.365 5.583 ( 0.000 12.457 -0.000) 12.457 5.976 ( 0.000 9.895 -0.000) 9.895 6.279 ( 0.000 5.407 -0.000) 5.407 6.634 ( 0.000 3.843 -0.000) 3.843 7.133 ( 0.000 9.381 -0.000) 9.381 7.250 ( 0.000 0.116 -0.000) 0.116 8.169 ( 0.000 10.832 -0.000) 10.832 8.864 ( 0.000 15.454 -0.000) 15.454 9.329 ( -0.000 -7.236 0.000) 7.236 9.398 ( -0.000 -14.557 0.000) 14.557 10.088 ( -0.000 -13.297 0.000) 13.297 11.214 ( -0.000 -20.889 0.000) 20.889 11.594 ( -0.000 -12.932 0.000) 12.932 12.356 ( -0.000 -12.032 0.000) 12.032 13.315 ( -0.000 -17.238 0.000) 17.238 14.063 ( -0.000 -15.426 0.000) 15.426 14.272 ( -0.000 -14.621 0.000) 14.621 14.992 ( -0.000 -6.566 0.000) 6.566 15.609 ( -0.000 -9.801 0.000) 9.801 15.935 ( -0.000 -5.147 0.000) 5.147 16.188 ( -0.000 -18.959 0.000) 18.959 16.788 ( 0.000 0.776 -0.000) 0.776 17.010 ( 0.000 4.682 -0.000) 4.682 18.265 ( 0.000 14.446 -0.000) 14.446 18.681 ( 0.000 35.799 -0.000) 35.799 18.924 ( -0.000 -9.988 0.000) 9.988 19.211 ( -0.000 -1.829 0.000) 1.829 20.921 ( 0.000 15.968 -0.000) 15.968 21.727 ( 0.000 37.947 -0.000) 37.947 21.948 ( 0.000 5.817 -0.000) 5.817 22.414 ( 0.000 12.667 -0.000) 12.667 23.345 ( 0.000 15.761 -0.000) 15.761 24.633 ( -0.000 -1.340 0.000) 1.340 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 18.093 0.000 1.275) 18.138 0.847 ( 28.483 0.000 -2.965) 28.637 1.738 ( 57.770 0.000 2.209) 57.813 2.600 ( 2.279 0.000 -8.166) 8.478 2.715 ( 1.624 0.000 9.153) 9.296 2.790 ( 9.489 0.000 -1.595) 9.622 3.009 ( -5.803 -0.000 -3.043) 6.552 3.562 ( -3.410 -0.000 3.809) 5.112 3.659 ( -1.624 -0.000 -1.137) 1.983 3.862 ( -3.775 -0.000 -0.935) 3.889 4.105 ( -14.606 -0.000 3.086) 14.928 4.198 ( -3.512 -0.000 -0.150) 3.515 4.522 ( 8.373 0.000 -4.030) 9.292 4.693 ( -6.360 -0.000 1.650) 6.571 5.272 ( 3.494 0.000 -12.515) 12.993 5.453 ( 10.425 0.000 9.636) 14.196 5.724 ( -3.246 -0.000 -0.799) 3.343 5.806 ( -16.499 -0.000 4.323) 17.056 6.774 ( 5.121 0.000 0.463) 5.142 6.946 ( 3.345 0.000 0.135) 3.347 7.160 ( -11.042 -0.000 -1.038) 11.091 7.778 ( 1.815 0.000 -0.017) 1.815 8.653 ( 6.646 0.000 -16.764) 18.034 9.479 ( -4.918 -0.000 2.447) 5.493 9.781 ( -2.881 -0.000 -0.939) 3.031 10.560 ( 5.011 0.000 18.929) 19.581 11.869 ( 2.078 0.000 -2.707) 3.412 12.750 ( 3.098 0.000 -7.290) 7.921 13.245 ( 6.218 0.000 0.873) 6.279 13.921 ( 0.010 0.000 0.072) 0.073 14.282 ( 2.036 0.000 1.050) 2.291 14.522 ( -3.362 -0.000 23.688) 23.925 14.798 ( 0.652 0.000 -10.779) 10.799 15.219 ( -0.149 -0.000 -0.014) 0.150 15.937 ( -6.529 -0.000 -7.075) 9.628 16.513 ( -9.412 -0.000 2.099) 9.643 16.768 ( 0.851 0.000 5.488) 5.553 16.768 ( -0.188 -0.000 -0.131) 0.229 17.567 ( -2.052 -0.000 -0.584) 2.134 18.535 ( -0.393 -0.000 0.084) 0.402 18.921 ( -0.397 -0.000 -21.078) 21.081 19.051 ( 0.165 0.000 0.026) 0.167 19.951 ( -5.013 -0.000 25.816) 26.298 20.540 ( -0.007 -0.000 -0.027) 0.028 20.673 ( 1.874 0.000 -3.909) 4.334 21.801 ( -7.348 -0.000 -1.619) 7.524 23.194 ( 2.030 0.000 9.337) 9.555 25.717 ( 0.241 0.000 -22.571) 22.573 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 13.164 -31.037 -4.796) 34.053 1.220 ( 21.990 -17.278 4.256) 28.288 2.244 ( 51.404 -11.186 1.404) 52.626 2.664 ( 3.663 -3.700 -8.279) 9.780 2.709 ( 0.938 -0.116 7.253) 7.315 2.909 ( 9.216 -4.659 2.108) 10.539 3.004 ( -2.602 -3.428 -3.946) 5.839 3.530 ( -3.445 0.341 1.171) 3.654 3.691 ( -4.522 -4.116 1.265) 6.244 3.891 ( -5.177 -5.177 -1.066) 7.398 4.112 ( -10.255 -11.767 -0.281) 15.611 4.297 ( -6.170 -12.662 1.942) 14.218 4.664 ( 2.547 -6.131 -1.384) 6.782 4.707 ( -1.849 -8.379 -0.690) 8.608 5.343 ( 2.133 -4.677 -14.647) 15.523 5.574 ( 7.541 -5.723 13.210) 16.252 5.721 ( -8.362 -4.028 1.738) 9.443 5.783 ( -6.002 -6.808 1.528) 9.203 6.774 ( 2.704 2.298 0.583) 3.596 7.038 ( -4.178 -3.939 -0.446) 5.759 7.073 ( -4.936 -3.150 -1.171) 5.971 7.849 ( 0.368 -5.481 0.486) 5.514 8.794 ( 6.718 -9.037 -9.534) 14.754 9.365 ( -4.734 7.291 1.427) 8.809 9.644 ( -4.626 10.459 -0.637) 11.454 10.527 ( 6.024 7.012 15.085) 17.692 11.698 ( 5.371 17.154 -5.958) 18.937 12.609 ( 3.477 16.670 -14.162) 22.148 12.968 ( 22.105 18.733 11.541) 31.188 13.800 ( 9.285 15.242 2.209) 17.983 14.232 ( -3.251 9.060 -2.391) 9.919 14.591 ( 0.595 11.272 -0.931) 11.325 14.862 ( -8.878 -17.730 8.032) 21.394 15.415 ( -6.132 -12.721 -0.125) 14.123 15.832 ( -5.481 4.175 -8.628) 11.042 16.517 ( -7.710 -10.758 4.443) 13.962 16.634 ( 0.114 12.354 0.909) 12.388 16.979 ( -0.356 -9.602 1.656) 9.750 17.650 ( -8.567 -11.880 3.185) 14.989 18.129 ( 3.620 16.513 -2.528) 17.094 18.898 ( -10.049 7.079 -6.131) 13.736 19.197 ( 2.309 -5.146 -2.994) 6.385 20.172 ( -14.559 -26.302 2.169) 30.140 20.753 ( -0.167 -20.613 9.465) 22.683 21.174 ( 0.507 -37.695 -2.622) 37.790 21.855 ( -9.666 -13.588 -2.513) 16.864 23.207 ( 2.211 -0.252 7.395) 7.722 25.527 ( 7.109 16.033 -11.815) 21.147 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 18.346 -16.672 -3.947) 25.102 1.787 ( 15.190 -19.930 4.833) 25.520 2.717 ( 1.595 -3.927 3.850) 5.726 2.805 ( 4.636 -8.927 0.333) 10.064 2.945 ( 30.828 -21.471 -0.071) 37.569 3.064 ( 1.496 -8.144 -7.809) 11.382 3.166 ( 10.441 -10.990 2.499) 15.364 3.508 ( -2.553 -0.729 -1.406) 3.004 3.736 ( -5.384 -4.559 3.258) 7.771 3.961 ( -6.669 -6.346 -1.227) 9.287 4.357 ( -5.088 -16.787 -3.655) 17.918 4.566 ( -8.179 -18.843 5.669) 21.310 4.763 ( -4.993 -9.899 0.097) 11.087 5.002 ( 4.181 -16.622 -4.385) 17.692 5.453 ( 3.728 -4.042 -8.399) 10.039 5.731 ( -15.410 -13.063 10.952) 22.980 5.859 ( 4.951 -11.294 1.256) 12.396 5.949 ( 3.041 -11.613 0.308) 12.009 6.742 ( 1.304 2.294 0.554) 2.696 6.976 ( -12.746 -2.544 -1.811) 13.123 7.281 ( 2.964 -12.785 -0.320) 13.128 7.975 ( -1.042 -7.331 0.675) 7.436 9.025 ( 3.025 -5.261 -4.153) 7.354 9.174 ( -4.596 7.130 -0.925) 8.533 9.386 ( -3.177 7.686 0.647) 8.342 10.393 ( 5.236 10.829 10.835) 16.189 11.363 ( 9.653 21.587 -5.946) 24.383 12.263 ( 4.080 19.761 -12.783) 23.887 12.823 ( 19.433 14.384 11.504) 26.775 13.507 ( 11.853 21.601 6.013) 25.363 13.996 ( -0.553 13.182 -4.637) 13.985 14.382 ( 4.316 11.562 -7.619) 14.504 14.923 ( -3.203 6.834 7.859) 10.897 15.517 ( -7.392 -1.463 1.480) 7.680 15.736 ( -5.628 -0.464 -8.661) 10.339 16.296 ( 1.450 19.807 6.108) 20.778 16.782 ( -1.169 -12.268 -3.625) 12.845 17.014 ( 2.544 2.694 6.048) 7.093 17.729 ( -18.790 -6.454 4.275) 20.322 18.172 ( -9.386 -19.192 -4.409) 21.814 18.614 ( -11.972 8.157 -5.425) 15.470 19.425 ( 7.241 -12.086 2.129) 14.249 20.575 ( -8.103 -23.089 -4.272) 24.840 21.219 ( -4.296 -25.854 7.954) 27.388 21.846 ( 0.173 -31.424 -2.095) 31.494 22.267 ( -8.085 -34.664 -3.555) 35.772 23.259 ( 0.627 -4.477 6.405) 7.840 25.296 ( 8.808 13.384 -5.071) 16.806 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 14.408 -13.008 -1.179) 19.447 2.199 ( 17.439 -11.147 2.479) 20.845 2.842 ( 1.389 -7.392 4.435) 8.732 2.979 ( 0.119 -8.658 1.734) 8.831 3.211 ( -1.537 -9.468 -6.747) 11.727 3.465 ( 0.951 -5.200 -1.179) 5.416 3.500 ( 10.679 -13.700 -5.612) 18.254 3.656 ( 9.626 -14.719 7.083) 18.960 3.839 ( 5.299 -11.240 1.008) 12.467 4.045 ( -6.098 -8.135 -1.853) 10.334 4.605 ( -2.924 -10.839 -1.798) 11.370 4.853 ( -2.422 -16.601 4.356) 17.333 5.023 ( -7.795 -18.645 0.102) 20.209 5.348 ( 4.140 -14.305 -7.765) 16.795 5.560 ( 1.519 -6.578 0.183) 6.754 5.902 ( -16.618 -15.887 5.851) 23.723 6.145 ( -0.601 -16.316 1.571) 16.402 6.268 ( 8.850 -15.202 0.339) 17.594 6.718 ( 2.826 1.178 -0.504) 3.102 6.984 ( -11.170 -7.801 -1.417) 13.698 7.579 ( 1.456 -15.734 -0.320) 15.804 8.090 ( -2.233 -4.775 0.344) 5.283 8.875 ( -6.294 11.525 0.352) 13.137 9.030 ( -3.077 3.174 -1.003) 4.533 9.509 ( 3.420 -11.642 -0.992) 12.174 10.224 ( 4.763 8.757 6.540) 11.922 11.057 ( 11.998 17.083 -3.154) 21.112 11.927 ( -0.233 16.326 -9.920) 19.105 12.681 ( 12.398 12.170 7.869) 19.072 13.165 ( 13.152 22.294 5.645) 26.492 13.737 ( 1.656 13.619 -3.674) 14.203 14.178 ( 4.361 13.645 -7.356) 16.103 14.670 ( -4.808 13.341 3.026) 14.500 15.335 ( -6.032 12.353 3.249) 14.126 15.668 ( -1.915 11.651 -7.848) 14.178 15.982 ( 7.739 12.945 7.790) 16.975 16.720 ( 3.486 13.916 -1.525) 14.427 17.166 ( -5.018 -15.230 3.931) 16.510 17.780 ( -16.127 -11.666 1.201) 19.941 18.420 ( -10.950 -6.713 -7.927) 15.093 18.543 ( -10.413 -14.967 2.777) 18.444 19.700 ( 5.153 -10.571 0.165) 11.761 20.941 ( -2.859 -18.836 -1.255) 19.093 21.644 ( -1.229 -20.399 3.214) 20.687 22.484 ( -0.837 -34.175 -1.920) 34.239 22.902 ( -2.194 -30.874 -3.632) 31.164 23.423 ( -2.953 -14.713 5.984) 16.155 25.134 ( 6.799 9.381 -2.222) 11.797 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 11.406 -8.229 0.091) 14.065 2.491 ( 15.789 -6.549 1.661) 17.174 2.993 ( 0.036 -6.908 3.594) 7.787 3.137 ( -0.975 -7.394 0.763) 7.497 3.374 ( -1.924 -8.098 -4.050) 9.257 3.527 ( 0.497 -3.385 -6.233) 7.110 3.736 ( 0.327 -5.516 2.563) 6.091 3.864 ( -1.111 -7.973 2.405) 8.401 4.150 ( 4.222 -12.553 2.140) 13.416 4.283 ( 4.549 -13.831 -2.872) 14.841 4.754 ( -1.798 -7.095 0.542) 7.339 5.194 ( 0.904 -12.691 -0.015) 12.723 5.276 ( -4.812 -16.565 1.717) 17.335 5.540 ( 5.069 -4.553 -2.633) 7.304 5.825 ( -0.299 -18.155 -4.757) 18.770 6.061 ( -13.868 -11.569 5.810) 18.972 6.471 ( -0.447 -15.980 -2.003) 16.111 6.558 ( -0.842 -9.167 7.190) 11.681 6.817 ( 11.621 -8.846 -4.793) 15.371 7.117 ( -8.741 -12.948 -0.277) 15.625 7.873 ( -1.045 -12.436 0.952) 12.516 8.099 ( -1.251 1.135 -2.425) 2.955 8.673 ( -8.603 2.452 2.332) 9.244 9.039 ( -0.364 -5.144 -0.959) 5.246 9.704 ( 2.175 -5.950 1.196) 6.447 10.184 ( 7.271 -0.407 2.368) 7.658 10.887 ( 8.237 8.812 -1.688) 12.180 11.621 ( -4.406 13.226 -6.799) 15.510 12.514 ( -0.839 10.957 4.902) 12.032 12.930 ( 17.204 10.046 3.711) 20.265 13.492 ( 3.285 13.573 -2.430) 14.174 13.891 ( -1.343 16.942 -5.163) 17.762 14.393 ( -1.506 12.864 1.728) 13.066 15.007 ( -2.984 17.609 2.768) 18.074 15.316 ( -3.768 17.755 -2.808) 18.367 15.838 ( 8.754 10.699 2.709) 14.087 16.428 ( 3.011 17.697 -0.210) 17.952 17.452 ( -4.338 -16.904 2.328) 17.607 17.876 ( -9.913 -7.640 -0.388) 12.522 18.460 ( -5.125 -5.091 -1.260) 7.333 18.816 ( -9.296 -17.833 -0.960) 20.133 19.895 ( 2.669 -6.649 -0.408) 7.176 21.260 ( 0.091 -14.927 -0.018) 14.928 21.997 ( 2.522 -15.335 0.948) 15.570 23.066 ( 0.807 -22.914 -1.753) 22.995 23.368 ( -1.018 -20.983 -0.489) 21.013 23.813 ( -3.913 -25.670 2.790) 26.116 25.022 ( 3.883 6.481 -1.146) 7.642 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 8.143 -3.026 0.102) 8.688 2.681 ( 12.877 -1.867 1.828) 13.139 3.095 ( -1.721 -4.387 1.367) 4.907 3.238 ( -1.465 -3.914 -0.100) 4.180 3.487 ( -0.318 -4.506 -2.130) 4.994 3.599 ( 1.136 -2.839 -3.764) 4.849 3.818 ( -0.594 -3.826 2.706) 4.724 3.939 ( -7.704 -4.009 0.643) 8.708 4.426 ( 8.934 -8.425 0.024) 12.280 4.492 ( -2.578 -7.606 -0.540) 8.049 4.868 ( 0.685 -5.352 0.634) 5.433 5.264 ( -13.219 -4.263 -0.815) 13.913 5.515 ( -0.104 -4.823 0.009) 4.824 5.804 ( 16.335 -13.519 1.014) 21.228 6.063 ( -10.931 -8.219 -1.123) 13.722 6.229 ( 1.822 -12.224 -1.509) 12.450 6.599 ( -1.799 -3.039 1.330) 3.773 6.807 ( -0.855 -13.939 4.782) 14.761 7.125 ( 10.471 -11.117 -5.066) 16.090 7.307 ( -8.651 -11.334 0.682) 14.274 7.926 ( 1.432 2.458 2.260) 3.633 8.200 ( -0.515 -9.816 -4.880) 10.974 8.625 ( -10.233 -3.392 4.280) 11.599 9.188 ( 2.076 -8.203 -1.573) 8.607 9.800 ( 0.792 -3.001 2.308) 3.868 10.310 ( 8.430 -5.419 0.502) 10.035 10.784 ( 0.988 6.937 -1.545) 7.176 11.381 ( -5.577 6.211 -4.062) 9.283 12.275 ( -5.558 8.960 3.907) 11.244 13.024 ( 11.453 -3.928 1.931) 12.261 13.266 ( 3.928 11.354 -3.176) 12.427 13.545 ( -5.157 13.519 -2.527) 14.689 14.124 ( 2.288 15.754 2.008) 16.045 14.636 ( 2.370 19.089 2.010) 19.341 15.016 ( -5.617 8.910 -2.265) 10.773 15.693 ( 4.700 8.847 1.435) 10.120 16.116 ( 2.068 15.329 0.055) 15.468 17.687 ( 2.231 -6.120 1.124) 6.610 17.977 ( -8.895 -11.507 -0.179) 14.545 18.520 ( -2.092 -3.581 -0.161) 4.150 19.068 ( -5.030 -13.096 -0.954) 14.061 20.005 ( 1.308 -3.411 -0.336) 3.668 21.511 ( 2.144 -9.937 0.174) 10.167 22.264 ( 4.675 -9.263 0.108) 10.376 23.350 ( -0.785 -8.346 -0.471) 8.396 23.761 ( -0.976 -18.393 0.253) 18.421 24.240 ( -1.763 -18.820 0.796) 18.919 24.931 ( 0.934 4.853 -0.660) 4.986 ======================= Grid point 34 (26/231) ======================= q-point: ( 0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 4.064 2.771 -0.536) 4.948 2.736 ( 9.078 4.989 1.757) 10.506 3.152 ( -1.123 -2.674 -1.076) 3.093 3.268 ( -1.652 -0.614 0.520) 1.837 3.550 ( 0.902 -1.907 -1.171) 2.413 3.641 ( 0.915 -0.859 -0.149) 1.263 3.871 ( -0.580 -1.741 0.388) 1.875 3.922 ( -7.777 -0.067 0.495) 7.793 4.497 ( -6.927 0.220 0.209) 6.934 4.620 ( 6.152 -2.726 -1.801) 6.966 4.970 ( 3.459 -3.063 1.524) 4.865 5.225 ( -8.914 -0.834 0.140) 8.954 5.568 ( -0.754 -1.771 -0.227) 1.938 5.983 ( -11.880 -3.288 -2.746) 12.629 6.233 ( 17.375 -6.181 7.453) 19.891 6.424 ( 2.677 -5.076 -8.857) 10.553 6.644 ( -0.145 -1.928 3.450) 3.955 6.998 ( -1.358 -5.915 3.565) 7.039 7.323 ( -1.549 -3.732 -5.586) 6.894 7.399 ( 0.482 -3.194 1.595) 3.602 7.961 ( 6.231 -2.942 2.334) 7.276 8.344 ( -1.257 -4.706 -3.466) 5.978 8.635 ( -9.704 -5.367 3.251) 11.556 9.330 ( 3.499 -3.248 -1.708) 5.071 9.811 ( -1.300 2.094 2.185) 3.293 10.418 ( 4.501 5.710 -1.088) 7.352 10.651 ( -2.556 0.804 -0.430) 2.714 11.329 ( -4.389 -3.919 -1.334) 6.034 12.145 ( -3.812 0.303 3.102) 4.924 12.856 ( -6.552 18.802 -2.900) 20.121 13.167 ( -0.231 5.454 -0.579) 5.489 13.592 ( 9.590 -16.226 -0.681) 18.861 13.849 ( 2.225 11.700 1.643) 12.022 14.359 ( 4.043 10.872 1.662) 11.717 14.885 ( -4.613 1.101 -1.923) 5.118 15.584 ( 2.112 4.504 1.221) 5.122 15.904 ( 0.927 6.978 -0.008) 7.039 17.734 ( 0.882 0.833 0.204) 1.230 18.165 ( -2.253 -10.301 0.308) 10.549 18.570 ( -0.902 -2.869 -0.116) 3.010 19.240 ( -1.604 -7.120 -0.483) 7.314 20.051 ( 0.645 -0.673 -0.207) 0.955 21.669 ( 3.336 -4.197 0.155) 5.364 22.419 ( 5.565 -2.807 -0.200) 6.236 23.423 ( -3.239 -0.971 0.026) 3.382 24.005 ( -0.534 -6.663 0.331) 6.692 24.485 ( -0.576 -7.159 -0.007) 7.182 24.843 ( -1.476 4.096 -0.225) 4.360 ======================= Grid point 36 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 1.262 8.767 -1.051) 8.919 2.608 ( 3.470 12.880 1.103) 13.385 3.161 ( -0.222 2.021 -1.781) 2.703 3.268 ( -0.519 -0.904 0.437) 1.130 3.549 ( -0.463 2.859 1.532) 3.277 3.666 ( 1.341 -1.096 0.086) 1.734 3.822 ( -5.733 5.092 0.590) 7.691 3.873 ( -0.943 1.005 -1.243) 1.856 4.365 ( -7.355 7.753 0.036) 10.687 4.662 ( 3.931 1.753 -1.740) 4.642 4.998 ( -0.458 2.009 1.095) 2.333 5.200 ( 1.778 0.138 1.525) 2.347 5.574 ( -0.562 0.713 -0.524) 1.049 5.922 ( -12.367 -0.729 -1.758) 12.513 6.381 ( 11.322 2.658 4.601) 12.507 6.458 ( 5.582 4.783 -4.370) 8.552 6.640 ( -1.646 2.243 0.333) 2.802 7.009 ( 0.013 4.182 2.971) 5.130 7.287 ( -6.091 1.979 -2.430) 6.850 7.424 ( 6.766 5.169 -0.517) 8.530 8.088 ( 4.839 -5.445 1.348) 7.408 8.339 ( -1.290 4.396 0.521) 4.611 8.705 ( -5.525 -7.454 -0.912) 9.323 9.352 ( 4.337 3.454 -0.825) 5.606 9.698 ( -4.679 7.032 1.728) 8.621 10.170 ( -1.532 15.539 -1.921) 15.732 10.667 ( -1.228 1.472 0.550) 1.994 11.440 ( -1.502 -9.163 1.219) 9.365 12.193 ( -1.983 -5.477 2.745) 6.439 12.405 ( -8.050 19.313 -4.657) 21.435 13.120 ( -0.036 -1.815 -0.307) 1.841 13.671 ( 4.596 4.400 1.524) 6.543 14.129 ( 3.094 -26.816 -1.011) 27.013 14.301 ( 3.724 -2.433 1.118) 4.587 14.893 ( -2.880 -4.506 -1.147) 5.469 15.562 ( 1.142 -0.923 1.054) 1.807 15.872 ( -0.025 -3.397 -0.157) 3.401 17.697 ( -0.165 3.055 0.055) 3.060 18.309 ( 0.943 -5.007 0.080) 5.095 18.622 ( 0.433 -2.641 0.021) 2.676 19.324 ( 0.438 -2.148 -0.116) 2.195 20.038 ( 0.221 2.494 -0.085) 2.506 21.719 ( 3.457 1.605 0.120) 3.813 22.459 ( 5.766 2.796 -0.364) 6.419 23.346 ( -4.625 5.748 0.165) 7.380 23.995 ( -0.718 7.370 0.337) 7.412 24.515 ( 0.399 3.575 -0.652) 3.656 24.754 ( -2.966 3.261 0.373) 4.424 ======================= Grid point 37 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -0.401 20.562 -0.658) 20.576 2.350 ( -0.628 13.406 0.303) 13.425 3.079 ( -0.239 5.684 -0.813) 5.747 3.267 ( 0.854 2.581 -1.316) 3.020 3.443 ( -2.133 6.504 3.236) 7.571 3.631 ( -2.090 8.331 0.087) 8.589 3.684 ( 0.142 3.949 -0.426) 3.975 3.849 ( -0.067 -0.164 -0.886) 0.904 4.091 ( -3.845 16.376 0.093) 16.822 4.618 ( 2.125 5.106 -0.851) 5.595 4.915 ( -1.582 4.682 0.424) 4.961 5.212 ( 4.395 2.188 1.405) 5.106 5.532 ( -0.107 3.297 -0.654) 3.363 5.846 ( -7.585 0.934 -1.135) 7.726 6.256 ( 1.628 14.393 -1.590) 14.571 6.329 ( 6.841 14.666 3.547) 16.567 6.560 ( -2.786 2.846 -1.752) 4.350 6.840 ( 0.904 13.365 1.540) 13.483 7.199 ( -1.990 3.285 -0.979) 3.964 7.290 ( 3.841 12.188 -0.193) 12.780 8.135 ( -0.373 11.565 -0.550) 11.584 8.273 ( 2.281 -6.770 1.916) 7.396 8.809 ( -1.199 -4.613 -1.529) 5.005 9.305 ( 6.032 3.674 0.361) 7.072 9.501 ( -7.873 7.586 0.257) 10.936 9.877 ( -1.350 12.467 -0.760) 12.563 10.572 ( -1.598 5.016 0.571) 5.296 11.607 ( -0.554 -6.099 1.596) 6.329 11.963 ( -5.333 13.709 -0.702) 14.726 12.396 ( 0.038 -11.394 -1.479) 11.489 13.238 ( 0.177 -9.639 -0.128) 9.642 13.696 ( 0.943 -4.429 1.141) 4.670 14.427 ( 1.025 -10.118 0.450) 10.180 14.703 ( 2.096 -26.210 -1.249) 26.323 15.019 ( -1.282 -10.736 -0.149) 10.813 15.621 ( 0.732 -4.073 0.603) 4.182 16.033 ( -0.324 -12.820 -0.089) 12.824 17.611 ( -0.273 5.907 -0.014) 5.914 18.388 ( 1.212 -2.800 0.073) 3.052 18.669 ( 1.223 -1.304 -0.004) 1.788 19.336 ( 1.285 1.363 0.037) 1.873 19.948 ( -0.192 7.157 0.035) 7.159 21.657 ( 2.368 7.076 0.094) 7.462 22.404 ( 4.735 6.619 -0.439) 8.151 23.143 ( -3.883 11.706 0.306) 12.337 23.718 ( -0.971 19.993 0.202) 20.018 24.367 ( 1.212 12.138 -0.883) 12.230 24.677 ( -2.887 2.427 0.643) 3.826 ======================= Grid point 38 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.000 25.390 -0.000) 25.390 2.051 ( 0.000 17.472 -0.000) 17.472 2.947 ( 0.000 7.680 -0.000) 7.680 3.135 ( 0.000 10.992 -0.000) 10.992 3.282 ( 0.000 9.913 -0.000) 9.913 3.432 ( 0.000 10.874 -0.000) 10.874 3.586 ( 0.000 8.427 -0.000) 8.427 3.687 ( 0.000 19.931 -0.000) 19.931 3.879 ( -0.000 -1.821 0.000) 1.821 4.493 ( 0.000 8.512 -0.000) 8.512 4.815 ( 0.000 5.100 -0.000) 5.100 5.156 ( 0.000 5.359 -0.000) 5.359 5.442 ( 0.000 6.060 -0.000) 6.060 5.724 ( 0.000 13.145 -0.000) 13.145 5.950 ( 0.000 15.375 -0.000) 15.375 5.985 ( 0.000 19.561 -0.000) 19.561 6.483 ( 0.000 5.786 -0.000) 5.786 6.539 ( 0.000 15.844 -0.000) 15.844 7.031 ( 0.000 14.672 -0.000) 14.672 7.154 ( 0.000 0.932 -0.000) 0.932 7.825 ( 0.000 18.340 -0.000) 18.340 8.427 ( -0.000 -4.509 0.000) 4.509 8.858 ( -0.000 -3.255 0.000) 3.255 9.290 ( 0.000 6.222 -0.000) 6.222 9.359 ( -0.000 -0.662 0.000) 0.662 9.708 ( 0.000 2.760 -0.000) 2.760 10.540 ( -0.000 -4.248 0.000) 4.248 11.534 ( 0.000 7.961 -0.000) 7.961 11.930 ( -0.000 -8.288 0.000) 8.288 12.658 ( -0.000 -15.240 0.000) 15.240 13.469 ( -0.000 -13.630 0.000) 13.630 13.834 ( -0.000 -9.004 0.000) 9.004 14.642 ( -0.000 -10.913 0.000) 10.913 15.111 ( -0.000 -15.315 0.000) 15.315 15.343 ( -0.000 -22.302 0.000) 22.302 15.722 ( -0.000 -5.871 0.000) 5.871 16.325 ( -0.000 -16.325 0.000) 16.325 17.458 ( 0.000 9.906 -0.000) 9.906 18.445 ( -0.000 -2.319 0.000) 2.319 18.687 ( -0.000 -0.455 0.000) 0.455 19.294 ( 0.000 3.552 -0.000) 3.552 19.739 ( 0.000 14.876 -0.000) 14.876 21.483 ( 0.000 11.639 -0.000) 11.639 22.273 ( 0.000 8.773 -0.000) 8.773 22.847 ( 0.000 17.283 -0.000) 17.283 23.241 ( 0.000 27.587 -0.000) 27.587 24.073 ( 0.000 18.288 -0.000) 18.288 24.627 ( 0.000 1.311 -0.000) 1.311 ======================= Grid point 43 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 16.153 0.000 1.168) 16.195 1.254 ( 27.004 0.000 -2.654) 27.134 2.559 ( 53.384 0.000 1.639) 53.409 2.640 ( 3.352 0.000 -11.150) 11.643 2.746 ( 2.338 0.000 12.507) 12.724 2.896 ( -0.355 -0.000 -7.292) 7.300 2.984 ( 8.387 0.000 4.190) 9.376 3.507 ( -3.951 -0.000 3.044) 4.987 3.630 ( -2.266 -0.000 -1.646) 2.801 3.795 ( -5.200 -0.000 -1.112) 5.318 3.868 ( -17.030 -0.000 2.274) 17.181 4.138 ( -4.685 -0.000 -0.170) 4.689 4.589 ( -7.493 -0.000 1.945) 7.742 4.653 ( 9.031 0.000 -5.178) 10.410 5.252 ( -9.226 -0.000 -12.100) 15.216 5.577 ( 1.610 0.000 12.995) 13.095 5.672 ( 5.779 0.000 2.753) 6.402 5.673 ( -3.529 -0.000 -0.834) 3.626 6.806 ( -2.204 -0.000 0.745) 2.327 6.970 ( -13.503 -0.000 -2.150) 13.673 6.998 ( 3.671 0.000 0.128) 3.673 7.807 ( 2.107 0.000 -0.021) 2.107 8.754 ( 7.025 0.000 -8.029) 10.668 9.406 ( -4.831 -0.000 1.161) 4.969 9.714 ( -5.952 -0.000 -1.021) 6.039 10.635 ( 4.364 0.000 14.202) 14.857 11.905 ( 2.853 0.000 -4.750) 5.541 12.794 ( 3.275 0.000 -12.272) 12.701 13.356 ( 8.165 0.000 6.847) 10.656 13.921 ( 0.011 0.000 0.087) 0.088 14.271 ( -4.290 -0.000 6.026) 7.397 14.534 ( 5.676 0.000 7.037) 9.041 14.804 ( 0.519 0.000 -5.257) 5.283 15.216 ( -0.178 -0.000 -0.017) 0.179 15.847 ( -5.892 -0.000 -9.136) 10.872 16.352 ( -11.776 -0.000 3.759) 12.362 16.765 ( -0.225 -0.000 -0.157) 0.274 16.768 ( -0.716 -0.000 5.810) 5.854 17.554 ( 0.190 0.000 0.675) 0.701 18.529 ( -0.475 -0.000 0.099) 0.485 18.911 ( -0.471 -0.000 -16.692) 16.698 19.054 ( 0.197 0.000 0.033) 0.200 19.857 ( -7.383 -0.000 17.196) 18.714 20.540 ( -0.008 -0.000 -0.032) 0.033 20.733 ( 5.271 0.000 -3.308) 6.223 21.658 ( -11.541 -0.000 -1.183) 11.601 23.227 ( 2.077 0.000 6.105) 6.448 25.711 ( -0.772 -0.000 -10.374) 10.403 ======================= Grid point 44 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 10.834 -31.681 0.423) 33.485 1.562 ( 23.275 -10.924 -1.375) 25.748 2.692 ( 2.582 -1.439 -11.545) 11.918 2.735 ( 2.890 -0.811 12.486) 12.842 2.937 ( -0.439 -5.260 -5.229) 7.430 2.979 ( 40.326 -4.799 2.091) 40.664 3.110 ( 15.541 -4.272 2.296) 16.280 3.481 ( -2.089 0.056 -0.034) 2.090 3.606 ( -6.922 -2.669 2.844) 7.945 3.801 ( -6.924 -5.131 -1.853) 8.815 3.968 ( -8.303 -16.851 -0.598) 18.795 4.215 ( -4.925 -11.393 0.922) 12.446 4.579 ( -7.150 -4.640 1.767) 8.705 4.797 ( 7.119 -8.431 -5.689) 12.415 5.249 ( -15.013 -9.571 -7.653) 19.380 5.582 ( 0.418 0.154 8.884) 8.896 5.711 ( -0.935 -5.933 0.360) 6.017 5.812 ( 11.153 -6.828 3.013) 13.420 6.750 ( -10.093 0.242 1.243) 10.172 6.870 ( -8.297 1.061 -2.743) 8.803 7.104 ( 2.773 -7.463 -0.147) 7.963 7.864 ( 1.466 -4.142 0.215) 4.399 8.889 ( 6.193 -8.298 -5.242) 11.606 9.297 ( -4.398 7.219 0.591) 8.474 9.559 ( -6.606 10.173 0.043) 12.130 10.597 ( 3.127 6.613 10.836) 13.074 11.778 ( 5.400 14.023 -5.351) 15.951 12.656 ( 3.627 15.660 -14.335) 21.538 13.222 ( 12.428 13.901 12.823) 22.631 13.935 ( 8.178 9.743 3.473) 13.186 14.208 ( 0.240 5.957 -6.198) 8.600 14.599 ( 0.574 6.054 6.270) 8.734 14.756 ( -4.598 -12.584 0.694) 13.416 15.343 ( -4.160 -5.140 -1.303) 6.740 15.768 ( -3.082 3.945 -9.621) 10.846 16.374 ( -11.285 -14.861 4.678) 19.237 16.624 ( -1.237 12.051 3.428) 12.590 16.992 ( 1.900 -13.146 0.907) 13.313 17.542 ( -6.312 -1.821 2.564) 7.052 18.170 ( 1.871 21.065 -1.988) 21.241 18.786 ( -5.057 14.851 -7.378) 17.337 19.233 ( 2.305 -11.847 1.558) 12.169 19.997 ( -9.595 -24.921 1.837) 26.768 20.778 ( 2.497 -16.960 4.524) 17.729 21.190 ( 1.274 -36.671 -2.554) 36.782 21.691 ( -11.734 -14.008 -1.320) 18.321 23.238 ( 1.600 0.012 4.797) 5.057 25.587 ( 1.989 10.708 -5.947) 12.409 ======================= Grid point 45 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 17.990 -15.063 -6.568) 24.366 1.974 ( 11.346 -22.596 6.401) 26.082 2.737 ( 1.415 -3.978 2.478) 4.895 2.841 ( 1.871 -5.841 2.309) 6.553 3.034 ( -2.025 -6.927 -4.161) 8.330 3.329 ( 12.303 -10.879 1.407) 16.483 3.366 ( 8.877 -7.118 -7.828) 13.811 3.540 ( 10.486 -5.016 6.864) 13.499 3.681 ( 2.729 -8.352 1.422) 8.901 3.858 ( -6.761 -6.301 -2.550) 9.587 4.312 ( 0.149 -19.808 -2.913) 20.022 4.458 ( -6.076 -16.543 3.834) 18.036 4.687 ( -4.479 -11.599 1.137) 12.485 5.068 ( 3.643 -14.995 -7.354) 17.094 5.399 ( -13.105 -15.747 -3.248) 20.743 5.586 ( -0.881 -0.899 8.719) 8.809 5.872 ( -0.710 -11.262 0.071) 11.285 6.082 ( 11.354 -11.669 1.888) 16.390 6.691 ( -12.314 -3.697 1.868) 12.992 6.811 ( -5.314 -0.142 -3.387) 6.303 7.315 ( 1.676 -12.370 -0.253) 12.486 7.974 ( 0.574 -5.904 0.427) 5.947 9.043 ( -1.268 4.968 -0.160) 5.130 9.112 ( -3.066 5.632 -3.973) 7.544 9.350 ( -1.395 -0.514 1.876) 2.394 10.443 ( 1.704 10.448 6.966) 12.672 11.502 ( 8.640 18.679 -3.881) 20.943 12.306 ( 2.641 21.101 -11.327) 24.094 13.025 ( 8.038 14.672 11.760) 20.449 13.716 ( 14.757 20.659 4.651) 25.810 14.002 ( 1.720 13.425 -4.951) 14.411 14.454 ( 5.493 10.640 -6.940) 13.840 14.880 ( -2.178 6.393 7.079) 9.783 15.398 ( -8.313 -6.842 0.669) 10.787 15.665 ( -4.040 -0.195 -9.771) 10.575 16.292 ( -1.908 16.058 8.117) 18.094 16.764 ( -1.193 -19.186 -3.289) 19.502 17.054 ( 2.029 5.733 5.902) 8.474 17.516 ( -9.331 1.029 2.985) 9.851 18.030 ( -9.830 -12.216 -4.307) 16.261 18.470 ( -7.639 8.290 -4.421) 12.109 19.513 ( 4.799 -12.782 2.821) 13.941 20.485 ( -4.184 -26.692 -3.116) 27.197 21.195 ( 0.063 -23.812 4.383) 24.212 21.824 ( -3.353 -29.682 -1.906) 29.931 22.159 ( -5.604 -39.127 -1.503) 39.555 23.268 ( 0.384 -2.921 3.766) 4.782 25.385 ( 3.934 11.586 -2.755) 12.542 ======================= Grid point 46 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 14.801 -10.255 -0.814) 18.025 2.425 ( 13.229 -13.532 0.957) 18.948 2.860 ( 0.972 -6.772 3.584) 7.723 2.976 ( -0.764 -7.574 2.228) 7.932 3.181 ( -2.278 -9.729 -2.285) 10.250 3.450 ( -1.304 -4.337 -8.644) 9.758 3.620 ( 3.344 -7.307 -0.272) 8.040 3.692 ( -2.485 -7.980 5.712) 10.123 3.933 ( 5.341 -12.373 2.100) 13.639 4.051 ( 6.155 -13.534 -3.115) 15.190 4.588 ( 0.197 -9.154 -0.242) 9.160 4.844 ( -4.366 -22.970 1.131) 23.408 4.937 ( 3.849 -15.489 1.137) 16.000 5.407 ( 0.864 -17.385 -10.427) 20.291 5.571 ( 0.176 -3.669 0.182) 3.678 5.672 ( -11.858 -15.852 10.214) 22.276 6.135 ( -0.717 -16.095 -0.868) 16.135 6.385 ( 6.010 -11.278 2.162) 12.961 6.745 ( -3.141 -8.180 1.430) 8.878 6.816 ( -6.928 -6.178 -3.645) 9.972 7.591 ( 0.183 -14.841 -0.181) 14.843 8.076 ( 0.079 -3.693 0.255) 3.703 8.771 ( -7.373 12.946 -0.054) 14.898 8.996 ( -1.528 2.127 -0.455) 2.658 9.554 ( 2.640 -11.589 -0.080) 11.886 10.275 ( 2.342 6.548 3.874) 7.960 11.213 ( 8.701 17.062 -1.574) 19.217 11.917 ( -0.671 19.241 -7.795) 20.771 12.775 ( 1.912 15.007 7.353) 16.821 13.379 ( 13.745 22.729 2.834) 26.713 13.771 ( 2.900 12.414 -2.664) 13.024 14.215 ( -0.168 16.742 -5.946) 17.767 14.649 ( 3.102 12.983 2.400) 13.563 15.253 ( -5.063 12.002 2.601) 13.284 15.631 ( -2.727 12.680 -7.859) 15.165 16.102 ( 8.081 5.492 8.080) 12.678 16.769 ( 2.767 13.138 -1.588) 13.520 17.051 ( -10.127 -9.343 2.456) 13.996 17.634 ( -3.628 -15.774 3.754) 16.615 18.216 ( -14.988 -12.665 -6.510) 20.674 18.447 ( -4.102 -10.658 0.223) 11.422 19.762 ( 3.369 -9.472 0.505) 10.066 20.921 ( -0.147 -20.167 -0.787) 20.183 21.650 ( 1.457 -21.860 1.891) 21.990 22.448 ( -3.630 -36.453 -1.765) 36.675 22.875 ( -0.964 -33.504 -1.381) 33.547 23.389 ( -2.090 -11.704 3.253) 12.326 25.206 ( 3.310 9.564 -1.240) 10.196 ======================= Grid point 47 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 11.427 -5.707 0.218) 12.774 2.708 ( 12.912 -6.221 0.318) 14.336 2.983 ( -1.513 -5.652 2.844) 6.506 3.112 ( -2.301 -7.335 0.733) 7.723 3.358 ( -0.037 -8.671 -1.150) 8.747 3.535 ( 0.662 -4.573 -6.270) 7.789 3.722 ( -2.293 -4.797 4.352) 6.871 3.782 ( -7.007 -5.781 -1.039) 9.143 4.283 ( 10.768 -13.961 1.046) 17.662 4.302 ( -0.969 -10.038 -1.141) 10.149 4.749 ( 1.235 -7.545 0.418) 7.657 5.045 ( -11.592 -9.259 -0.488) 14.844 5.370 ( 6.828 -13.360 0.374) 15.008 5.654 ( 6.117 -9.475 -3.211) 11.726 5.742 ( -6.780 -16.410 0.132) 17.756 5.952 ( 0.046 -17.151 4.300) 17.682 6.438 ( -3.790 -14.124 -6.218) 15.891 6.571 ( 2.135 -7.490 9.490) 12.277 6.927 ( -6.869 -13.172 -7.123) 16.475 7.009 ( 4.196 -13.566 2.644) 14.444 7.856 ( -1.231 -11.434 1.206) 11.563 8.109 ( 2.477 0.002 -2.472) 3.500 8.536 ( -9.683 3.837 1.967) 10.599 9.040 ( 0.356 -6.570 -0.559) 6.604 9.729 ( 1.235 -5.225 1.019) 5.465 10.273 ( 4.811 -3.191 1.410) 5.943 10.981 ( 4.570 12.006 -1.001) 12.885 11.564 ( -3.121 15.277 -4.519) 16.234 12.474 ( -3.545 14.924 3.828) 15.810 13.140 ( 10.699 9.386 1.429) 14.304 13.545 ( 3.586 13.380 -1.588) 13.943 13.834 ( -5.473 19.032 -3.636) 20.134 14.444 ( 7.379 13.455 2.578) 15.561 14.966 ( -2.907 13.825 0.494) 14.136 15.252 ( -4.428 19.367 -2.251) 19.994 15.968 ( 8.146 14.111 2.600) 16.499 16.471 ( 2.759 18.372 -0.180) 18.579 17.348 ( -8.590 -25.116 1.346) 26.579 17.804 ( -0.769 -3.259 0.973) 3.487 18.377 ( -5.849 -10.600 -1.717) 12.228 18.705 ( -5.637 -18.057 -0.782) 18.932 19.928 ( 1.785 -5.807 -0.276) 6.081 21.273 ( 1.421 -15.742 0.148) 15.807 22.046 ( 3.548 -16.648 0.472) 17.028 23.064 ( -0.789 -24.643 -1.661) 24.711 23.352 ( -0.944 -19.626 0.619) 19.658 23.764 ( -2.670 -26.633 1.271) 26.796 25.060 ( 1.549 7.464 -0.623) 7.649 ======================= Grid point 48 (35/231) ======================= q-point: ( 0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 6.410 -0.098 0.243) 6.416 2.860 ( 10.412 -0.340 0.812) 10.450 3.062 ( -2.674 -4.659 0.583) 5.403 3.213 ( -1.574 -4.236 0.133) 4.521 3.493 ( 0.878 -4.783 -1.140) 4.995 3.618 ( 1.504 -2.723 -2.018) 3.708 3.792 ( -3.874 -4.705 1.992) 6.412 3.834 ( -4.506 -3.815 -0.276) 5.911 4.409 ( -4.935 -4.262 -0.147) 6.522 4.569 ( 6.676 -7.506 -1.180) 10.114 4.909 ( 4.819 -6.336 1.739) 8.148 5.104 ( -8.074 -5.256 -0.406) 9.643 5.506 ( -1.001 -3.613 -0.166) 3.753 5.797 ( -11.263 -7.004 -2.155) 13.437 6.143 ( 15.860 -16.485 4.372) 23.290 6.275 ( 4.260 -12.489 -1.074) 13.239 6.560 ( -4.690 -5.227 -4.112) 8.138 6.805 ( 1.367 -12.055 6.228) 13.638 7.115 ( -10.679 -11.729 -4.192) 16.407 7.299 ( 6.984 -10.509 0.502) 12.628 7.964 ( 2.461 -1.500 2.663) 3.924 8.209 ( 2.631 -7.544 -5.733) 9.834 8.467 ( -10.931 -3.501 4.186) 12.218 9.214 ( 1.384 -9.379 -0.839) 9.518 9.808 ( 0.316 -2.275 1.358) 2.668 10.414 ( 5.416 -6.461 0.411) 8.440 10.782 ( -0.830 11.216 -1.184) 11.309 11.316 ( -3.148 6.545 -1.937) 7.517 12.198 ( -4.330 9.069 2.107) 10.268 13.118 ( 2.354 5.483 0.450) 5.984 13.333 ( 4.608 10.448 -2.006) 11.593 13.474 ( -3.934 8.081 -1.179) 9.065 14.199 ( 6.120 17.174 2.613) 18.418 14.670 ( 1.974 16.671 0.188) 16.788 14.928 ( -5.631 8.344 -1.632) 10.198 15.754 ( 3.144 11.100 1.180) 11.597 16.143 ( 1.436 15.973 -0.008) 16.037 17.722 ( 2.431 -8.483 0.933) 8.874 17.866 ( -5.962 -12.295 -0.180) 13.666 18.494 ( -1.348 -4.604 -0.227) 4.802 19.008 ( -2.933 -15.094 -0.616) 15.389 20.021 ( 0.823 -2.979 -0.239) 3.100 21.544 ( 1.961 -10.660 0.203) 10.841 22.334 ( 4.112 -9.950 -0.054) 10.766 23.332 ( -1.345 -6.938 -0.332) 7.075 23.746 ( -0.858 -19.009 0.383) 19.032 24.220 ( -1.010 -19.625 0.247) 19.652 24.936 ( -0.104 6.007 -0.318) 6.016 ======================= Grid point 49 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 1.719 4.696 -0.121) 5.002 2.849 ( 4.826 7.677 0.710) 9.096 3.138 ( -0.579 -3.975 -0.702) 4.078 3.248 ( -0.804 -0.655 0.316) 1.084 3.561 ( 0.385 -1.724 -0.394) 1.810 3.657 ( 0.920 -0.636 0.145) 1.128 3.827 ( -3.767 -0.921 -0.038) 3.878 3.864 ( -0.750 -1.444 0.155) 1.635 4.405 ( -3.861 1.139 -0.010) 4.026 4.684 ( 2.101 -1.770 -1.177) 2.988 5.010 ( 0.886 -0.963 0.982) 1.635 5.170 ( 0.666 -4.496 0.704) 4.599 5.553 ( -1.073 -2.060 -0.332) 2.346 5.817 ( -7.294 -2.765 -0.974) 7.861 6.428 ( 3.400 -3.415 -0.614) 4.858 6.498 ( 10.687 -6.099 4.585) 13.131 6.623 ( -3.999 -3.448 -4.420) 6.886 6.989 ( 0.335 -5.727 2.853) 6.407 7.211 ( -6.324 -5.129 -1.863) 8.352 7.481 ( 4.073 -3.489 -0.225) 5.368 8.035 ( 2.992 -3.437 1.213) 4.716 8.341 ( 0.931 -3.041 -2.656) 4.144 8.506 ( -6.491 -7.841 2.229) 10.420 9.368 ( 1.423 -4.288 -0.717) 4.575 9.796 ( -0.644 3.818 0.965) 3.990 10.469 ( 2.142 13.941 -0.716) 14.123 10.617 ( -1.547 -4.651 0.032) 4.901 11.282 ( -1.772 -4.275 -0.372) 4.643 12.098 ( -2.023 -1.202 1.119) 2.605 12.787 ( -2.527 22.377 -1.096) 22.546 13.167 ( 0.123 6.363 -0.241) 6.369 13.671 ( 2.005 -20.625 -0.809) 20.738 13.903 ( 3.159 15.251 1.380) 15.635 14.403 ( 1.671 10.486 0.517) 10.631 14.829 ( -2.355 -0.001 -0.890) 2.517 15.607 ( 0.877 5.175 0.554) 5.278 15.915 ( 0.401 7.538 -0.017) 7.548 17.744 ( 0.375 1.804 0.080) 1.844 18.142 ( -0.831 -12.954 0.148) 12.981 18.560 ( -0.364 -3.350 -0.064) 3.370 19.223 ( -0.628 -8.346 -0.201) 8.372 20.058 ( 0.282 -0.470 -0.094) 0.556 21.707 ( 1.502 -4.746 0.102) 4.979 22.488 ( 2.944 -3.302 -0.153) 4.426 23.381 ( -1.846 0.221 0.045) 1.860 23.998 ( -0.280 -6.728 0.159) 6.736 24.479 ( -0.223 -7.560 -0.044) 7.563 24.824 ( -0.788 5.121 -0.075) 5.182 ======================= Grid point 50 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 0.000 9.137 -0.000) 9.137 2.639 ( 0.000 15.206 -0.000) 15.206 3.160 ( 0.000 2.202 -0.000) 2.202 3.264 ( -0.000 -1.712 0.000) 1.712 3.545 ( 0.000 3.711 -0.000) 3.711 3.678 ( -0.000 -1.109 0.000) 1.109 3.774 ( 0.000 4.609 -0.000) 4.609 3.867 ( 0.000 1.015 -0.000) 1.015 4.307 ( 0.000 7.762 -0.000) 7.762 4.690 ( 0.000 1.687 -0.000) 1.687 4.987 ( 0.000 2.950 -0.000) 2.950 5.239 ( -0.000 -1.351 0.000) 1.351 5.566 ( 0.000 0.393 -0.000) 0.393 5.817 ( -0.000 -0.519 0.000) 0.519 6.438 ( 0.000 3.577 -0.000) 3.577 6.571 ( 0.000 6.215 -0.000) 6.215 6.588 ( 0.000 1.532 -0.000) 1.532 7.015 ( 0.000 3.744 -0.000) 3.744 7.232 ( 0.000 0.565 -0.000) 0.565 7.480 ( 0.000 5.197 -0.000) 5.197 8.126 ( -0.000 -5.087 0.000) 5.087 8.328 ( 0.000 4.432 -0.000) 4.432 8.659 ( -0.000 -9.103 0.000) 9.103 9.389 ( 0.000 2.249 -0.000) 2.249 9.658 ( 0.000 9.315 -0.000) 9.315 10.159 ( 0.000 16.222 -0.000) 16.222 10.657 ( 0.000 2.276 -0.000) 2.276 11.427 ( -0.000 -10.205 0.000) 10.205 12.171 ( -0.000 -3.545 0.000) 3.545 12.352 ( 0.000 17.860 -0.000) 17.860 13.120 ( -0.000 -1.915 0.000) 1.915 13.705 ( 0.000 5.374 -0.000) 5.374 14.152 ( -0.000 -25.573 0.000) 25.573 14.332 ( -0.000 -3.559 0.000) 3.559 14.869 ( -0.000 -4.822 0.000) 4.822 15.571 ( -0.000 -0.882 0.000) 0.882 15.871 ( -0.000 -3.114 0.000) 3.114 17.696 ( 0.000 3.269 -0.000) 3.269 18.316 ( -0.000 -5.659 0.000) 5.659 18.625 ( -0.000 -3.285 0.000) 3.285 19.327 ( -0.000 -2.809 0.000) 2.809 20.040 ( 0.000 2.633 -0.000) 2.633 21.747 ( 0.000 1.295 -0.000) 1.295 22.508 ( 0.000 2.251 -0.000) 2.251 23.307 ( 0.000 6.469 -0.000) 6.469 23.989 ( 0.000 7.618 -0.000) 7.618 24.519 ( 0.000 3.051 -0.000) 3.051 24.731 ( 0.000 4.042 -0.000) 4.042 ======================= Grid point 57 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 13.087 0.000 0.979) 13.123 1.629 ( 23.855 0.000 -2.517) 23.987 2.691 ( 3.613 0.000 -12.185) 12.709 2.788 ( 3.178 0.000 13.722) 14.085 2.856 ( -1.271 -0.000 -4.170) 4.359 3.134 ( 14.082 0.000 1.753) 14.191 3.277 ( 26.717 0.000 0.409) 26.720 3.492 ( 7.546 0.000 6.363) 9.870 3.592 ( -2.914 -0.000 -1.958) 3.511 3.645 ( -6.843 -0.000 -0.721) 6.881 3.715 ( -5.456 -0.000 -0.988) 5.544 4.064 ( -5.176 -0.000 -0.163) 5.178 4.483 ( -6.709 -0.000 1.803) 6.947 4.768 ( 5.667 0.000 -7.762) 9.610 5.017 ( -18.889 -0.000 -1.626) 18.959 5.615 ( 4.074 0.000 4.415) 6.007 5.625 ( -3.014 -0.000 -0.680) 3.090 5.844 ( 13.564 0.000 4.044) 14.154 6.630 ( -19.853 -0.000 0.580) 19.861 6.849 ( -4.524 -0.000 -2.329) 5.088 7.049 ( 3.174 0.000 0.096) 3.175 7.837 ( 1.911 0.000 -0.020) 1.911 8.850 ( 5.998 0.000 -4.023) 7.222 9.344 ( -3.540 -0.000 0.488) 3.573 9.615 ( -7.215 -0.000 -0.133) 7.216 10.683 ( 1.798 0.000 9.407) 9.578 11.945 ( 2.549 0.000 -4.534) 5.202 12.847 ( 4.409 0.000 -14.290) 14.955 13.461 ( 5.172 0.000 12.656) 13.672 13.921 ( 0.010 0.000 0.082) 0.083 14.188 ( -5.806 -0.000 5.229) 7.814 14.669 ( 11.440 0.000 -6.498) 13.157 14.819 ( 1.891 0.000 2.204) 2.904 15.214 ( -0.166 -0.000 -0.016) 0.167 15.746 ( -8.054 -0.000 -7.233) 10.826 16.194 ( -9.253 -0.000 3.676) 9.957 16.757 ( -0.771 -0.000 4.764) 4.826 16.762 ( -0.210 -0.000 -0.147) 0.256 17.567 ( 1.336 0.000 1.586) 2.074 18.522 ( -0.447 -0.000 0.091) 0.457 18.903 ( -0.310 -0.000 -12.504) 12.507 19.057 ( 0.184 0.000 0.032) 0.186 19.761 ( -5.740 -0.000 11.996) 13.299 20.540 ( -0.008 -0.000 -0.030) 0.031 20.798 ( 3.084 0.000 -3.766) 4.868 21.488 ( -10.693 -0.000 -0.056) 10.693 23.251 ( 1.053 0.000 3.971) 4.108 25.692 ( -1.500 -0.000 -4.881) 5.106 ======================= Grid point 58 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 8.717 -29.728 0.850) 30.992 1.883 ( 20.076 -8.511 -2.232) 21.919 2.716 ( 1.768 0.115 -4.071) 4.440 2.789 ( 3.831 -1.399 4.968) 6.427 2.921 ( -0.562 -3.862 -0.957) 4.018 3.261 ( 8.444 -4.817 -0.048) 9.721 3.329 ( 0.222 -0.315 -4.171) 4.189 3.485 ( -5.244 -3.110 7.484) 9.653 3.682 ( 3.786 -4.166 -1.893) 5.939 3.724 ( 14.259 -0.511 0.203) 14.269 3.895 ( 0.865 -18.494 0.220) 18.516 4.180 ( 3.388 -12.291 -0.288) 12.753 4.489 ( -4.657 -5.578 1.554) 7.431 4.857 ( -2.960 -8.075 -10.532) 13.597 5.012 ( -11.308 -10.998 4.784) 16.484 5.604 ( 0.946 0.190 1.848) 2.085 5.700 ( 0.068 -5.763 0.640) 5.799 5.999 ( 12.547 -5.785 2.169) 13.986 6.495 ( -20.449 -2.355 1.398) 20.631 6.803 ( -4.162 0.967 -2.419) 4.910 7.139 ( 2.041 -6.813 -0.061) 7.113 7.886 ( 1.424 -3.603 0.111) 3.876 8.969 ( 4.601 -7.413 -2.884) 9.189 9.243 ( -2.734 7.579 -0.258) 8.062 9.460 ( -6.621 9.334 1.119) 11.498 10.624 ( 0.597 6.748 6.524) 9.406 11.846 ( 3.768 11.283 -3.950) 12.534 12.713 ( 4.370 16.146 -13.060) 21.222 13.341 ( 3.748 12.374 14.275) 19.259 14.021 ( 3.474 4.193 1.194) 5.574 14.225 ( 1.408 -6.926 -5.071) 8.699 14.624 ( 3.357 6.227 10.144) 12.367 14.741 ( 2.038 -0.043 -6.275) 6.598 15.287 ( -3.397 1.328 -1.849) 4.089 15.738 ( -0.855 0.435 -8.206) 8.262 16.204 ( -11.600 -15.781 5.073) 20.232 16.608 ( -0.770 11.833 3.514) 12.367 17.028 ( 2.684 -17.666 0.377) 17.873 17.464 ( -4.466 6.424 1.929) 8.058 18.184 ( 0.270 22.470 -1.696) 22.535 18.738 ( -1.795 20.939 -5.322) 21.679 19.263 ( 1.693 -15.552 3.130) 15.954 19.887 ( -5.680 -25.452 0.516) 26.083 20.811 ( 1.628 -16.247 1.604) 16.407 21.201 ( 0.128 -36.040 -2.344) 36.116 21.535 ( -8.938 -14.268 0.081) 16.836 23.254 ( 0.541 0.118 2.936) 2.988 25.598 ( -0.032 7.909 -2.867) 8.413 ======================= Grid point 59 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 7.164 -27.096 1.346) 28.059 2.210 ( 15.590 -10.929 -2.588) 19.214 2.766 ( 2.558 -3.799 2.944) 5.444 2.864 ( 1.090 -3.816 2.395) 4.635 2.993 ( -3.599 -6.418 -1.775) 7.569 3.348 ( -2.474 -4.536 -9.491) 10.806 3.493 ( 4.646 -9.638 -0.047) 10.699 3.543 ( -2.551 -4.789 8.038) 9.698 3.770 ( -0.533 -7.185 0.087) 7.206 3.889 ( 9.490 -7.525 -1.246) 12.175 4.323 ( -2.791 -22.600 -0.781) 22.785 4.455 ( 6.198 -10.689 1.096) 12.405 4.686 ( 8.172 -14.316 0.668) 16.498 5.045 ( -8.687 -15.647 -7.960) 19.587 5.235 ( -5.272 -16.922 5.321) 18.506 5.608 ( 1.950 0.577 3.053) 3.668 5.863 ( -0.451 -11.449 -1.023) 11.504 6.219 ( 3.794 -9.172 -1.301) 10.011 6.473 ( -11.457 -8.919 4.526) 15.209 6.765 ( -3.274 -0.338 -3.174) 4.573 7.331 ( 0.726 -11.727 -0.154) 11.750 7.985 ( 0.815 -5.306 0.274) 5.375 8.993 ( -4.105 12.156 -0.037) 12.830 9.089 ( -0.803 6.309 -2.511) 6.838 9.345 ( 0.366 -7.842 1.614) 8.015 10.455 ( 0.147 10.003 3.714) 10.672 11.602 ( 4.998 16.433 -2.281) 17.326 12.341 ( 2.221 22.983 -8.167) 24.492 13.088 ( 1.269 15.208 9.574) 18.016 13.883 ( 6.937 14.225 0.384) 15.831 14.055 ( 5.389 18.454 -1.032) 19.252 14.521 ( 2.979 12.973 -5.666) 14.467 14.888 ( 3.759 3.208 5.843) 7.653 15.291 ( -5.795 -13.446 0.365) 14.647 15.605 ( -4.258 3.766 -9.017) 10.659 16.261 ( -1.982 13.595 7.374) 15.593 16.743 ( -1.609 -27.581 -2.085) 27.706 17.058 ( -1.450 10.976 3.832) 11.716 17.466 ( 1.816 3.842 2.812) 5.096 17.886 ( -9.565 -4.594 -3.871) 11.295 18.384 ( -4.200 8.290 -2.966) 9.755 19.569 ( 2.816 -13.141 2.606) 13.690 20.444 ( -1.599 -29.417 -2.244) 29.546 21.205 ( 0.838 -23.260 1.882) 23.351 21.757 ( -4.952 -28.184 -1.043) 28.635 22.108 ( -1.695 -41.977 -0.519) 42.015 23.270 ( -0.184 -2.087 1.964) 2.872 25.421 ( 1.388 10.186 -1.336) 10.367 ======================= Grid point 60 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 11.534 -9.212 0.199) 14.763 2.580 ( 7.697 -15.766 -1.572) 17.615 2.869 ( 0.131 -4.978 3.681) 6.192 2.955 ( -2.001 -6.236 1.382) 6.694 3.152 ( -1.364 -11.528 -0.552) 11.621 3.431 ( -1.058 -5.565 -6.579) 8.681 3.606 ( -5.053 -4.386 4.304) 7.955 3.642 ( -1.201 -5.581 -1.561) 5.918 4.052 ( 8.585 -16.379 1.883) 18.588 4.109 ( 1.835 -9.880 -1.341) 10.138 4.597 ( 1.137 -9.603 -0.178) 9.672 4.733 ( -7.327 -14.992 0.332) 16.690 5.123 ( 15.436 -18.882 -0.449) 24.393 5.306 ( -10.216 -17.904 -3.349) 20.884 5.543 ( -4.047 -15.488 -0.894) 16.033 5.649 ( 5.060 -6.177 7.163) 10.727 6.126 ( -0.343 -15.056 -3.863) 15.548 6.399 ( -5.325 -11.722 2.307) 13.080 6.634 ( -4.069 -9.012 1.608) 10.018 6.824 ( 2.133 -8.963 -2.346) 9.508 7.588 ( -0.416 -14.060 -0.084) 14.067 8.085 ( 0.802 -4.022 0.170) 4.105 8.675 ( -5.093 14.681 -0.142) 15.540 8.981 ( -0.609 1.327 -0.142) 1.467 9.584 ( 1.406 -11.258 0.133) 11.347 10.300 ( 1.100 4.683 1.817) 5.142 11.305 ( 4.005 17.032 -0.732) 17.512 11.908 ( -0.288 21.369 -4.331) 21.806 12.778 ( -0.810 17.058 4.430) 17.642 13.534 ( 7.146 22.710 0.890) 23.824 13.812 ( 2.343 11.602 -0.888) 11.870 14.179 ( -3.280 20.006 -3.396) 20.556 14.749 ( 8.415 11.494 1.584) 14.333 15.184 ( -4.402 12.918 1.219) 13.702 15.592 ( -2.133 13.188 -5.128) 14.310 16.214 ( 6.554 -4.218 5.599) 9.597 16.774 ( -3.025 5.457 -0.430) 6.254 16.928 ( -4.403 6.509 -0.418) 7.870 17.649 ( 4.377 -20.405 5.770) 21.652 18.007 ( -12.803 -12.283 -5.991) 18.726 18.404 ( -1.915 -10.298 -0.447) 10.484 19.799 ( 1.675 -8.962 0.434) 9.127 20.927 ( 0.614 -21.085 -0.411) 21.098 21.674 ( 1.431 -23.086 0.821) 23.145 22.394 ( -3.116 -38.397 -0.914) 38.534 22.871 ( 0.174 -34.608 -0.415) 34.611 23.362 ( -1.414 -9.792 1.366) 9.987 25.238 ( 1.209 9.556 -0.548) 9.648 ======================= Grid point 61 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 7.122 -3.341 0.399) 7.877 2.837 ( 3.550 -7.527 -1.798) 8.514 2.956 ( -1.255 -4.732 2.697) 5.589 3.083 ( -1.183 -7.592 0.302) 7.689 3.366 ( 0.663 -9.392 -0.325) 9.421 3.546 ( 0.811 -5.850 -3.393) 6.811 3.655 ( -4.486 -4.959 2.956) 7.311 3.730 ( -0.992 -4.573 -0.840) 4.754 4.275 ( -1.342 -7.034 -0.290) 7.167 4.412 ( 5.002 -13.476 -0.040) 14.375 4.796 ( 5.006 -9.045 1.248) 10.413 4.903 ( -7.718 -9.255 -0.910) 12.084 5.418 ( 0.148 -5.988 -0.639) 6.024 5.553 ( -5.788 -11.332 -0.404) 12.731 5.860 ( 8.439 -20.335 -2.166) 22.122 5.979 ( 2.068 -19.785 6.023) 20.785 6.371 ( -4.071 -10.222 -6.453) 12.756 6.621 ( 4.275 -10.732 8.629) 14.419 6.770 ( -9.202 -13.111 -4.919) 16.756 7.098 ( 3.780 -13.925 -0.056) 14.430 7.840 ( -0.769 -11.375 0.471) 11.411 8.159 ( 3.287 -2.749 -1.342) 4.490 8.412 ( -5.919 7.061 1.139) 9.284 9.045 ( 0.224 -7.331 -0.183) 7.337 9.741 ( 0.388 -4.850 0.384) 4.880 10.323 ( 1.770 -4.905 0.498) 5.238 11.023 ( 1.290 13.850 -0.393) 13.916 11.532 ( -1.072 16.418 -1.549) 16.526 12.433 ( -1.698 16.591 1.386) 16.735 13.243 ( 3.404 9.969 0.400) 10.542 13.585 ( 1.587 12.977 -0.483) 13.083 13.766 ( -2.829 19.717 -1.403) 19.968 14.556 ( 5.603 14.762 1.714) 15.882 14.921 ( -2.607 10.467 -0.764) 10.814 15.202 ( -1.840 21.152 -0.704) 21.244 16.057 ( 3.407 17.031 1.064) 17.401 16.503 ( 1.280 19.073 -0.070) 19.116 17.246 ( -4.203 -30.733 0.352) 31.021 17.815 ( 1.064 0.673 0.806) 1.495 18.306 ( -3.035 -16.617 -0.961) 16.919 18.652 ( -1.743 -16.902 -0.276) 16.994 19.946 ( 0.635 -5.458 -0.099) 5.495 21.291 ( 0.744 -16.214 0.090) 16.232 22.087 ( 1.601 -17.697 0.128) 17.770 23.052 ( -0.551 -26.024 -0.662) 26.038 23.342 ( -0.343 -18.056 0.403) 18.064 23.737 ( -0.985 -27.348 0.318) 27.368 25.073 ( 0.350 8.001 -0.195) 8.011 ======================= Grid point 62 (43/231) ======================= q-point: ( 0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.734 ( 0.000 1.789 -0.000) 1.789 2.947 ( -0.000 -0.411 0.000) 0.411 3.035 ( -0.000 -5.123 0.000) 5.123 3.201 ( -0.000 -4.412 0.000) 4.412 3.501 ( -0.000 -4.597 0.000) 4.597 3.634 ( -0.000 -2.600 0.000) 2.600 3.746 ( -0.000 -5.400 0.000) 5.400 3.808 ( -0.000 -3.740 0.000) 3.740 4.368 ( -0.000 -3.323 0.000) 3.323 4.617 ( -0.000 -6.303 0.000) 6.303 4.969 ( -0.000 -4.292 0.000) 4.292 5.034 ( -0.000 -8.922 0.000) 8.922 5.493 ( -0.000 -3.309 0.000) 3.309 5.701 ( -0.000 -6.596 0.000) 6.596 6.255 ( -0.000 -15.327 0.000) 15.327 6.374 ( -0.000 -16.868 0.000) 16.868 6.474 ( -0.000 -4.137 0.000) 4.137 6.836 ( -0.000 -9.549 0.000) 9.549 7.007 ( -0.000 -12.841 0.000) 12.841 7.357 ( -0.000 -10.482 0.000) 10.482 7.982 ( -0.000 -3.839 0.000) 3.839 8.264 ( -0.000 -5.873 0.000) 5.873 8.349 ( -0.000 -3.317 0.000) 3.317 9.225 ( -0.000 -9.792 0.000) 9.792 9.810 ( -0.000 -2.000 0.000) 2.000 10.457 ( -0.000 -7.491 0.000) 7.491 10.773 ( 0.000 13.326 -0.000) 13.326 11.292 ( 0.000 6.752 -0.000) 6.752 12.164 ( 0.000 9.207 -0.000) 9.207 13.130 ( 0.000 9.682 -0.000) 9.682 13.376 ( 0.000 14.274 -0.000) 14.274 13.439 ( 0.000 1.065 -0.000) 1.065 14.253 ( 0.000 18.008 -0.000) 18.008 14.686 ( 0.000 15.589 -0.000) 15.589 14.880 ( 0.000 7.977 -0.000) 7.977 15.778 ( 0.000 11.983 -0.000) 11.983 16.154 ( 0.000 16.251 -0.000) 16.251 17.748 ( -0.000 -12.029 0.000) 12.029 17.814 ( -0.000 -9.840 0.000) 9.840 18.484 ( -0.000 -5.078 0.000) 5.078 18.986 ( -0.000 -15.778 0.000) 15.778 20.027 ( -0.000 -2.842 0.000) 2.842 21.560 ( -0.000 -10.947 0.000) 10.947 22.367 ( -0.000 -10.404 0.000) 10.404 23.320 ( -0.000 -6.245 0.000) 6.245 23.739 ( -0.000 -19.274 0.000) 19.274 24.212 ( -0.000 -19.894 0.000) 19.894 24.934 ( 0.000 6.437 -0.000) 6.437 ======================= Grid point 72 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 8.690 0.000 0.673) 8.716 1.938 ( 17.683 0.000 -2.269) 17.828 2.735 ( 2.455 0.000 -8.492) 8.839 2.842 ( 3.773 0.000 9.864) 10.561 2.863 ( 2.511 0.000 -0.667) 2.598 3.239 ( -1.627 -0.000 -4.055) 4.369 3.326 ( -8.796 -0.000 4.328) 9.803 3.469 ( 6.458 0.000 2.279) 6.849 3.541 ( -3.878 -0.000 -1.742) 4.251 3.648 ( -3.295 -0.000 -0.685) 3.365 3.992 ( -4.438 -0.000 -0.115) 4.439 4.093 ( 40.465 0.000 1.515) 40.494 4.401 ( -4.411 -0.000 1.260) 4.588 4.666 ( -18.347 -0.000 -7.302) 19.747 4.900 ( 3.081 0.000 2.994) 4.296 5.587 ( -1.984 -0.000 -0.430) 2.030 5.663 ( 1.538 0.000 1.341) 2.041 6.031 ( 9.785 0.000 -0.306) 9.790 6.320 ( -19.254 -0.000 3.453) 19.561 6.773 ( -5.968 -0.000 -2.392) 6.430 7.089 ( 2.115 0.000 0.058) 2.116 7.861 ( 1.315 0.000 -0.015) 1.315 8.923 ( 3.963 0.000 -1.978) 4.429 9.309 ( -1.110 -0.000 -0.062) 1.111 9.511 ( -6.665 -0.000 0.619) 6.694 10.695 ( 0.042 0.000 5.155) 5.155 11.974 ( 1.437 0.000 -3.143) 3.456 12.918 ( 5.247 0.000 -12.942) 13.966 13.496 ( -0.713 -0.000 14.702) 14.719 13.921 ( 0.007 0.000 0.058) 0.059 14.126 ( -2.557 -0.000 0.701) 2.651 14.811 ( 5.474 0.000 -8.266) 9.914 14.888 ( 9.086 0.000 2.655) 9.465 15.212 ( -0.117 -0.000 -0.012) 0.118 15.614 ( -9.198 -0.000 -0.971) 9.249 16.086 ( -5.645 -0.000 0.692) 5.688 16.751 ( -0.097 -0.000 3.258) 3.260 16.759 ( -0.147 -0.000 -0.103) 0.180 17.588 ( 1.409 0.000 1.560) 2.102 18.516 ( -0.318 -0.000 0.063) 0.324 18.898 ( -0.123 -0.000 -7.660) 7.661 19.059 ( 0.129 0.000 0.024) 0.131 19.696 ( -3.280 -0.000 7.296) 7.999 20.540 ( -0.006 -0.000 -0.021) 0.022 20.815 ( -0.536 -0.000 -3.579) 3.619 21.364 ( -5.963 -0.000 0.749) 6.010 23.260 ( 0.174 0.000 2.315) 2.322 25.669 ( -1.434 -0.000 -2.186) 2.615 ======================= Grid point 73 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 4.956 -28.472 0.561) 28.905 2.128 ( 12.573 -7.531 -2.003) 14.792 2.750 ( 2.713 -0.601 -0.578) 2.838 2.839 ( 2.685 0.010 1.328) 2.996 2.914 ( -0.796 -0.115 1.731) 1.909 3.228 ( -5.451 -4.413 -8.641) 11.128 3.328 ( -3.189 -6.881 7.010) 10.327 3.499 ( 3.235 -0.046 1.563) 3.594 3.637 ( 1.281 -6.014 -1.436) 6.315 3.803 ( -0.675 -13.024 -0.550) 13.053 3.958 ( -0.441 -5.080 1.057) 5.207 4.373 ( 5.986 -3.606 0.210) 6.992 4.531 ( 19.405 -11.180 -0.432) 22.399 4.673 ( -13.500 -13.032 -3.206) 19.036 4.989 ( 1.309 -6.906 2.734) 7.542 5.606 ( -0.243 -1.950 0.582) 2.049 5.696 ( -1.751 -4.512 -0.129) 4.842 6.088 ( -7.107 -3.392 -5.304) 9.495 6.283 ( -0.374 -5.507 7.661) 9.442 6.728 ( -5.575 -0.024 -2.485) 6.104 7.163 ( 1.127 -6.203 -0.013) 6.305 7.903 ( 0.829 -3.395 0.052) 3.495 9.018 ( 2.083 -6.087 -1.285) 6.560 9.223 ( -0.030 7.849 -1.000) 7.912 9.373 ( -4.938 8.021 1.603) 9.555 10.626 ( -0.276 6.827 2.987) 7.457 11.885 ( 1.694 9.657 -2.133) 10.034 12.773 ( 3.621 17.373 -8.711) 19.768 13.356 ( -1.010 11.401 10.431) 15.486 14.052 ( 1.187 3.957 -0.686) 4.188 14.234 ( 0.061 -20.378 -1.555) 20.438 14.693 ( 4.747 11.276 8.671) 14.996 14.782 ( 2.736 6.068 -8.327) 10.660 15.249 ( -1.619 5.317 -0.898) 5.630 15.741 ( 1.518 -4.098 -5.194) 6.788 16.047 ( -9.315 -14.940 3.944) 18.042 16.604 ( 0.030 12.152 2.196) 12.349 17.063 ( 1.970 -22.957 0.051) 23.042 17.412 ( -2.582 13.286 1.146) 13.583 18.183 ( -0.254 23.145 -1.099) 23.172 18.723 ( -0.426 24.848 -2.586) 24.986 19.283 ( 1.028 -17.693 2.469) 17.894 19.826 ( -2.717 -26.361 -0.265) 26.502 20.825 ( 0.334 -16.300 0.170) 16.304 21.194 ( -0.839 -35.799 -1.424) 35.837 21.441 ( -3.864 -14.545 0.570) 15.061 23.257 ( -0.014 0.169 1.428) 1.438 25.593 ( -0.427 6.522 -1.170) 6.640 ======================= Grid point 74 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 2.613 -28.153 0.577) 28.280 2.382 ( 6.758 -10.665 -1.711) 12.741 2.815 ( 3.825 -2.374 4.173) 6.138 2.867 ( -0.935 -1.544 -1.443) 2.311 2.934 ( -3.524 -7.551 -0.128) 8.334 3.320 ( -0.818 -5.367 -5.033) 7.403 3.467 ( -2.619 -7.672 3.418) 8.797 3.540 ( -0.582 -3.733 -0.314) 3.791 3.815 ( 3.806 -11.647 0.676) 12.272 3.957 ( 1.537 -7.004 -0.230) 7.175 4.276 ( -2.141 -21.359 -0.244) 21.468 4.497 ( 0.590 -7.430 0.613) 7.479 4.861 ( -0.503 -16.734 -3.263) 17.057 4.967 ( 11.209 -14.299 0.497) 18.175 5.177 ( -5.811 -14.452 2.347) 15.752 5.633 ( 1.275 -1.111 1.557) 2.299 5.857 ( -0.239 -12.509 -1.554) 12.607 6.122 ( -8.906 -8.370 -1.562) 12.321 6.471 ( 4.687 -9.690 4.000) 11.484 6.708 ( -3.479 -2.241 -2.380) 4.774 7.338 ( 0.199 -11.158 -0.047) 11.160 7.994 ( 0.346 -5.149 0.101) 5.161 8.948 ( -1.734 13.970 -0.171) 14.078 9.080 ( -0.350 7.909 -0.647) 7.943 9.353 ( 0.361 -10.853 0.579) 10.874 10.455 ( -0.088 9.607 1.164) 9.677 11.649 ( 1.521 15.370 -0.795) 15.466 12.364 ( 0.954 24.381 -3.055) 24.590 13.091 ( -0.339 15.133 3.710) 15.584 13.937 ( 1.490 9.635 -0.595) 9.767 14.124 ( 2.825 21.941 0.538) 22.129 14.538 ( 0.089 16.781 -2.334) 16.943 14.964 ( 4.228 -0.055 2.553) 4.939 15.235 ( -1.868 -20.032 0.395) 20.123 15.545 ( -2.868 9.269 -4.296) 10.611 16.243 ( -0.585 12.439 3.048) 12.820 16.722 ( -0.920 -33.541 -0.706) 33.561 17.035 ( -1.093 16.169 1.149) 16.247 17.528 ( 4.457 0.541 2.252) 5.023 17.762 ( -6.164 2.450 -2.516) 7.094 18.344 ( -1.350 8.381 -1.039) 8.552 19.597 ( 0.952 -13.204 1.083) 13.283 20.430 ( -0.384 -31.012 -0.879) 31.026 21.214 ( 0.352 -23.474 0.460) 23.481 21.702 ( -2.116 -27.680 -0.242) 27.762 22.096 ( -0.277 -42.908 -0.149) 42.909 23.267 ( -0.175 -1.668 0.615) 1.787 25.432 ( 0.297 9.475 -0.399) 9.488 ======================= Grid point 75 (47/231) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -0.000 -11.283 0.000) 11.283 2.640 ( -0.000 -14.852 0.000) 14.852 2.866 ( -0.000 -2.604 0.000) 2.604 2.935 ( -0.000 -6.411 0.000) 6.411 3.142 ( -0.000 -12.875 0.000) 12.875 3.422 ( -0.000 -6.111 0.000) 6.111 3.559 ( -0.000 -3.915 0.000) 3.915 3.636 ( -0.000 -5.207 0.000) 5.207 4.112 ( -0.000 -11.656 0.000) 11.656 4.132 ( -0.000 -13.947 0.000) 13.947 4.618 ( -0.000 -13.404 0.000) 13.404 4.664 ( -0.000 -10.223 0.000) 10.223 5.204 ( -0.000 -16.633 0.000) 16.633 5.284 ( -0.000 -14.600 0.000) 14.600 5.492 ( -0.000 -19.720 0.000) 19.720 5.702 ( -0.000 -7.111 0.000) 7.111 6.125 ( -0.000 -13.621 0.000) 13.621 6.327 ( -0.000 -16.122 0.000) 16.122 6.620 ( -0.000 -3.657 0.000) 3.657 6.841 ( -0.000 -12.663 0.000) 12.663 7.584 ( -0.000 -13.677 0.000) 13.677 8.092 ( -0.000 -4.552 0.000) 4.552 8.636 ( 0.000 15.691 -0.000) 15.691 8.977 ( 0.000 1.005 -0.000) 1.005 9.594 ( -0.000 -11.082 0.000) 11.082 10.308 ( 0.000 3.935 -0.000) 3.935 11.334 ( 0.000 17.032 -0.000) 17.032 11.906 ( 0.000 22.156 -0.000) 22.156 12.770 ( 0.000 17.690 -0.000) 17.690 13.587 ( 0.000 22.636 -0.000) 22.636 13.830 ( 0.000 11.387 -0.000) 11.387 14.151 ( 0.000 21.052 -0.000) 21.052 14.826 ( 0.000 10.572 -0.000) 10.572 15.143 ( 0.000 14.257 -0.000) 14.257 15.575 ( 0.000 13.074 -0.000) 13.074 16.270 ( -0.000 -10.301 0.000) 10.301 16.731 ( 0.000 2.666 -0.000) 2.666 16.908 ( 0.000 14.637 -0.000) 14.637 17.709 ( -0.000 -26.125 0.000) 26.125 17.885 ( -0.000 -7.654 0.000) 7.654 18.390 ( -0.000 -10.381 0.000) 10.381 19.812 ( -0.000 -8.816 0.000) 8.816 20.932 ( -0.000 -21.420 0.000) 21.420 21.686 ( -0.000 -23.588 0.000) 23.588 22.370 ( -0.000 -39.107 0.000) 39.107 22.874 ( -0.000 -34.989 0.000) 34.989 23.352 ( -0.000 -9.070 0.000) 9.070 25.246 ( 0.000 9.546 -0.000) 9.546 ======================= Grid point 88 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 3.071 0.000 0.243) 3.080 2.124 ( 6.897 0.000 -1.076) 6.981 2.758 ( 0.805 0.000 -2.676) 2.795 2.889 ( 1.947 0.000 3.284) 3.818 2.924 ( 4.923 0.000 1.470) 5.138 3.132 ( -8.476 -0.000 -4.764) 9.723 3.232 ( -2.674 -0.000 3.784) 4.634 3.491 ( -2.183 -0.000 -0.716) 2.298 3.619 ( 8.218 0.000 0.566) 8.238 3.619 ( -0.828 -0.000 -0.286) 0.876 3.944 ( -1.837 -0.000 -0.037) 1.837 4.357 ( -1.499 -0.000 0.449) 1.564 4.416 ( -9.281 -0.000 -0.991) 9.333 4.587 ( 19.257 0.000 -1.101) 19.288 4.949 ( 2.722 0.000 2.080) 3.426 5.568 ( -0.688 -0.000 -0.146) 0.703 5.636 ( -4.713 -0.000 -0.359) 4.726 5.993 ( -7.917 -0.000 -3.112) 8.507 6.253 ( 4.661 0.000 4.712) 6.628 6.689 ( -4.230 -0.000 -1.591) 4.520 7.110 ( 0.739 0.000 0.019) 0.739 7.874 ( 0.467 0.000 -0.005) 0.467 8.962 ( 1.339 0.000 -0.611) 1.471 9.309 ( 0.746 0.000 -0.314) 0.810 9.432 ( -3.528 -0.000 0.581) 3.576 10.693 ( -0.200 -0.000 1.621) 1.633 11.987 ( 0.409 0.000 -1.122) 1.194 12.981 ( 2.855 0.000 -6.021) 6.664 13.469 ( -1.922 -0.000 7.227) 7.478 13.921 ( 0.002 0.000 0.021) 0.021 14.107 ( -0.353 -0.000 -0.395) 0.530 14.854 ( 1.439 0.000 -0.409) 1.496 15.017 ( 5.876 0.000 -3.273) 6.726 15.211 ( -0.042 -0.000 -0.004) 0.042 15.503 ( -4.826 -0.000 2.029) 5.236 16.028 ( -2.163 -0.000 -0.464) 2.213 16.752 ( 0.113 0.000 1.183) 1.188 16.758 ( -0.053 -0.000 -0.037) 0.065 17.604 ( 0.607 0.000 0.643) 0.884 18.513 ( -0.115 -0.000 0.023) 0.117 18.896 ( -0.026 -0.000 -2.558) 2.559 19.061 ( 0.046 0.000 0.009) 0.047 19.666 ( -1.046 -0.000 2.459) 2.672 20.540 ( -0.002 -0.000 -0.008) 0.008 20.798 ( -0.959 -0.000 -1.490) 1.773 21.311 ( -1.605 -0.000 0.417) 1.659 23.260 ( -0.050 -0.000 0.773) 0.774 25.653 ( -0.584 -0.000 -0.629) 0.858 ======================= Grid point 89 (49/231) ======================= q-point: ( 0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -0.000 -28.070 0.000) 28.070 2.225 ( -0.000 -7.363 0.000) 7.363 2.776 ( -0.000 -2.457 0.000) 2.457 2.867 ( 0.000 1.329 -0.000) 1.329 2.897 ( 0.000 3.935 -0.000) 3.935 3.183 ( -0.000 -7.817 0.000) 7.817 3.299 ( -0.000 -7.245 0.000) 7.245 3.504 ( -0.000 -0.445 0.000) 0.445 3.682 ( -0.000 -3.880 0.000) 3.880 3.797 ( -0.000 -14.577 0.000) 14.577 3.942 ( -0.000 -5.029 0.000) 5.029 4.387 ( -0.000 -4.047 0.000) 4.047 4.543 ( -0.000 -13.754 0.000) 13.754 4.775 ( -0.000 -11.159 0.000) 11.159 4.991 ( -0.000 -3.476 0.000) 3.476 5.605 ( -0.000 -2.249 0.000) 2.249 5.659 ( -0.000 -6.326 0.000) 6.326 5.987 ( -0.000 -2.711 0.000) 2.711 6.331 ( -0.000 -6.009 0.000) 6.009 6.674 ( -0.000 -0.261 0.000) 0.261 7.171 ( -0.000 -5.981 0.000) 5.981 7.910 ( -0.000 -3.340 0.000) 3.340 9.032 ( -0.000 -5.084 0.000) 5.084 9.228 ( 0.000 7.849 -0.000) 7.849 9.332 ( 0.000 7.119 -0.000) 7.119 10.623 ( 0.000 6.831 -0.000) 6.831 11.897 ( 0.000 9.143 -0.000) 9.143 12.802 ( 0.000 18.183 -0.000) 18.183 13.344 ( 0.000 10.679 -0.000) 10.679 14.060 ( 0.000 4.055 -0.000) 4.055 14.234 ( -0.000 -23.620 0.000) 23.620 14.735 ( 0.000 10.869 -0.000) 10.869 14.801 ( 0.000 9.298 -0.000) 9.298 15.238 ( 0.000 6.332 -0.000) 6.332 15.762 ( -0.000 -5.888 0.000) 5.888 15.967 ( -0.000 -14.480 0.000) 14.480 16.605 ( 0.000 12.336 -0.000) 12.336 17.079 ( -0.000 -25.796 0.000) 25.796 17.392 ( 0.000 16.528 -0.000) 16.528 18.180 ( 0.000 23.436 -0.000) 23.436 18.720 ( 0.000 26.173 -0.000) 26.173 19.292 ( -0.000 -18.423 0.000) 18.423 19.806 ( -0.000 -26.741 0.000) 26.741 20.826 ( -0.000 -16.368 0.000) 16.368 21.186 ( -0.000 -35.630 0.000) 35.630 21.414 ( -0.000 -14.819 0.000) 14.819 23.257 ( 0.000 0.186 -0.000) 0.186 25.589 ( 0.000 6.097 -0.000) 6.097 ======================= Grid point 179 (50/231) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 7.832 0.000 30.184) 31.184 0.622 ( 0.416 0.000 32.163) 32.165 1.083 ( -4.147 -0.000 55.417) 55.572 2.224 ( -0.494 -0.000 -22.658) 22.663 2.304 ( -1.436 -0.000 -25.982) 26.021 2.969 ( 1.176 0.000 15.796) 15.840 3.428 ( -5.108 -0.000 20.152) 20.790 3.631 ( -0.701 -0.000 -5.522) 5.567 3.645 ( 7.259 0.000 -1.254) 7.367 3.940 ( -0.494 -0.000 2.183) 2.238 3.959 ( -1.186 -0.000 -22.297) 22.328 4.259 ( -0.129 -0.000 0.424) 0.443 4.402 ( 1.940 0.000 -5.711) 6.031 4.859 ( 1.038 0.000 6.806) 6.884 4.938 ( -4.424 -0.000 -16.376) 16.963 5.519 ( 1.400 0.000 16.632) 16.691 5.647 ( -0.507 -0.000 -12.516) 12.526 6.222 ( 0.371 0.000 0.890) 0.964 6.695 ( 1.054 0.000 8.091) 8.160 6.963 ( 0.010 0.000 6.367) 6.367 7.281 ( -0.455 -0.000 -4.959) 4.979 7.731 ( 0.009 0.000 -1.688) 1.688 9.315 ( -11.956 -0.000 -0.542) 11.968 9.722 ( 0.230 0.000 -0.030) 0.232 10.120 ( -8.778 -0.000 2.521) 9.133 11.409 ( -12.863 -0.000 -8.203) 15.256 12.083 ( 34.421 0.000 7.165) 35.159 12.576 ( -5.590 -0.000 1.048) 5.688 13.319 ( -5.406 -0.000 -2.539) 5.972 13.756 ( 17.576 0.000 -1.504) 17.641 13.977 ( -0.018 -0.000 5.664) 5.664 14.563 ( -0.590 -0.000 1.230) 1.364 15.072 ( 0.135 0.000 -13.305) 13.306 15.724 ( 43.669 0.000 0.407) 43.671 15.895 ( -17.671 -0.000 4.232) 18.171 16.321 ( -12.248 -0.000 -5.930) 13.608 16.735 ( 2.288 0.000 1.285) 2.624 16.960 ( -0.284 -0.000 17.552) 17.555 17.477 ( -5.288 -0.000 -0.043) 5.288 18.334 ( 0.262 0.000 -17.866) 17.868 18.951 ( -16.993 -0.000 -0.734) 17.009 19.167 ( -0.081 -0.000 8.611) 8.612 20.442 ( 25.489 0.000 -1.651) 25.542 20.533 ( -0.008 -0.000 -0.700) 0.700 21.080 ( 30.022 0.000 4.006) 30.288 21.920 ( 12.325 0.000 -2.157) 12.512 22.252 ( -30.600 -0.000 0.787) 30.610 24.970 ( -43.554 -0.000 0.098) 43.554 ======================= Grid point 180 (51/231) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 19.010 -13.249 19.508) 30.290 0.857 ( 11.597 -16.418 21.282) 29.274 1.586 ( 5.467 -38.691 38.107) 54.580 2.231 ( 1.613 -2.118 -22.375) 22.533 2.335 ( 1.694 -3.890 -25.035) 25.392 3.016 ( 1.341 -3.903 16.503) 17.012 3.383 ( -6.280 -0.577 17.821) 18.904 3.639 ( 0.246 -0.740 -0.270) 0.826 3.769 ( 1.265 -6.226 2.320) 6.764 4.007 ( -0.927 -7.358 -0.011) 7.416 4.079 ( 1.986 -11.565 -19.485) 22.745 4.336 ( -1.765 -7.995 -4.546) 9.365 4.492 ( -1.352 -10.827 -6.050) 12.477 4.920 ( 1.057 -5.160 2.257) 5.730 4.933 ( -3.513 -2.766 -12.632) 13.400 5.611 ( 2.476 -6.671 11.420) 13.456 5.704 ( -0.697 -7.113 -8.022) 10.744 6.232 ( -3.904 -3.153 3.137) 5.918 6.700 ( 3.423 0.996 7.417) 8.230 7.036 ( 0.972 -6.741 6.348) 9.310 7.234 ( -2.903 2.595 -4.873) 6.238 7.813 ( 0.296 -7.920 -5.121) 9.436 9.113 ( -11.757 7.386 14.022) 19.733 9.614 ( -1.557 10.272 2.605) 10.711 9.827 ( -10.090 17.070 14.582) 24.614 10.977 ( -6.542 34.192 40.500) 53.405 11.502 ( 12.984 33.146 10.804) 37.202 12.044 ( 16.812 19.156 1.657) 25.541 12.636 ( 4.294 14.584 6.749) 16.634 13.546 ( 2.001 11.643 -6.755) 13.608 14.342 ( 1.317 12.863 -2.797) 13.229 14.398 ( -3.131 9.692 -9.613) 14.005 15.143 ( 1.290 0.083 0.339) 1.337 15.753 ( -5.261 2.321 0.964) 5.830 15.948 ( -6.781 -0.358 -0.495) 6.808 16.449 ( 5.346 7.570 -6.764) 11.473 16.641 ( 0.375 -5.522 -2.156) 5.940 17.077 ( 2.035 0.661 7.556) 7.854 17.788 ( -0.710 -29.502 -1.547) 29.551 18.222 ( -3.340 -10.958 6.949) 13.399 19.019 ( 1.873 1.732 -4.081) 4.812 19.236 ( -14.296 3.197 -5.869) 15.781 20.567 ( -14.951 -15.292 -2.003) 21.480 21.047 ( 4.296 -33.257 0.142) 33.533 21.648 ( -15.800 -18.272 -12.930) 27.399 22.099 ( -24.564 -16.993 -0.445) 29.872 22.599 ( 49.122 -23.703 -32.446) 63.463 24.740 ( -3.211 2.532 7.979) 8.966 ======================= Grid point 181 (52/231) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 26.939 -14.346 12.883) 33.128 1.343 ( 6.882 -24.295 10.631) 27.397 2.302 ( 3.356 -16.284 -11.660) 20.307 2.421 ( 7.317 -15.496 -10.007) 19.844 2.539 ( 5.864 -26.179 1.403) 26.864 3.144 ( 2.047 -7.779 17.354) 19.127 3.381 ( -5.623 -3.500 15.831) 17.161 3.637 ( -1.331 0.290 3.824) 4.060 3.870 ( -1.123 -3.923 1.866) 4.487 4.172 ( -3.393 -10.276 5.525) 12.151 4.362 ( 1.911 -14.121 -11.692) 18.433 4.535 ( -2.385 -14.096 -15.347) 20.974 4.813 ( -0.350 -21.352 -10.504) 23.799 4.981 ( -1.909 -5.162 -15.750) 16.684 5.095 ( -0.714 -12.688 6.074) 14.085 5.766 ( -0.495 -8.803 -2.996) 9.312 5.923 ( 1.501 -13.852 6.421) 15.341 6.306 ( -5.194 -8.064 5.940) 11.283 6.717 ( 3.014 -0.484 5.274) 6.094 7.143 ( -2.261 1.267 -3.601) 4.437 7.253 ( 0.454 -11.911 5.078) 12.956 8.005 ( -2.053 -11.513 -7.631) 13.964 9.027 ( -2.651 -2.865 9.276) 10.064 9.365 ( -2.568 12.671 1.943) 13.074 9.499 ( -3.157 11.238 10.981) 16.027 10.516 ( 10.325 20.278 28.429) 36.414 11.098 ( -2.873 20.039 -4.889) 20.826 11.747 ( 15.593 18.995 -5.722) 25.233 12.438 ( 11.054 13.077 4.394) 17.678 13.296 ( 3.473 15.695 -5.409) 16.960 14.028 ( -2.951 15.768 -1.674) 16.129 14.171 ( 0.529 11.980 -5.396) 13.150 15.049 ( 0.827 9.372 1.419) 9.515 15.641 ( 1.114 7.982 -1.535) 8.204 15.880 ( -6.337 2.892 4.361) 8.218 16.183 ( 3.607 17.763 -4.038) 18.570 16.797 ( -1.609 -1.589 1.488) 2.707 17.042 ( 1.577 -3.225 1.328) 3.828 18.224 ( -4.740 -12.223 -0.663) 13.126 18.573 ( -16.344 -26.422 4.333) 31.369 18.871 ( -5.751 5.435 -4.686) 9.197 19.205 ( 2.525 -5.746 -0.156) 6.278 20.827 ( -12.721 -20.628 0.684) 24.245 21.713 ( -6.582 -22.149 -3.711) 23.402 21.818 ( -5.549 -25.357 2.684) 26.096 22.351 ( -4.389 -19.653 -1.527) 20.195 23.205 ( 9.677 -19.760 -16.928) 27.761 24.737 ( 11.387 2.973 1.548) 11.870 ======================= Grid point 182 (53/231) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 20.239 -15.444 9.378) 27.131 1.838 ( 7.484 -20.514 9.287) 23.729 2.574 ( 4.002 -12.873 -18.176) 22.630 2.689 ( 5.268 -11.954 -19.348) 23.346 3.273 ( 9.322 -30.944 15.840) 35.991 3.337 ( 1.837 -9.176 17.375) 19.735 3.441 ( -0.102 -7.566 8.465) 11.354 3.632 ( -2.224 -1.842 5.744) 6.429 3.912 ( -0.702 -1.618 3.431) 3.858 4.331 ( -7.875 -9.866 5.627) 13.821 4.609 ( 0.592 -10.444 -4.696) 11.466 4.795 ( 2.559 -11.291 -16.256) 19.957 5.104 ( -1.989 -9.279 -13.523) 16.520 5.227 ( -1.563 -20.163 -15.338) 25.381 5.419 ( -3.278 -21.777 4.799) 22.539 5.952 ( -1.743 -10.861 -4.664) 11.948 6.214 ( 1.859 -14.247 8.525) 16.706 6.469 ( -3.079 -11.550 7.599) 14.165 6.772 ( -1.066 -4.668 4.488) 6.563 7.113 ( -1.541 -0.844 -3.818) 4.203 7.550 ( 1.375 -16.619 4.787) 17.349 8.187 ( -5.366 -8.873 -6.418) 12.195 8.992 ( -2.601 8.632 0.228) 9.019 9.147 ( -3.490 4.188 -0.296) 5.460 9.430 ( 3.642 -4.025 6.800) 8.701 10.251 ( 10.481 15.063 20.551) 27.552 10.726 ( 1.181 14.809 -2.753) 15.108 11.598 ( 11.707 7.343 -8.233) 16.086 12.271 ( 13.692 13.036 4.287) 19.385 13.004 ( 3.540 16.662 -2.846) 17.270 13.719 ( -2.295 13.965 -0.416) 14.158 13.959 ( 1.447 10.693 -4.068) 11.531 14.825 ( -3.061 12.298 -0.628) 12.689 15.453 ( 1.616 12.559 -1.530) 12.755 15.688 ( -2.454 15.635 0.447) 15.833 15.893 ( 2.206 12.004 2.177) 12.398 16.636 ( 1.063 13.545 0.196) 13.588 17.255 ( -0.534 -13.428 1.567) 13.529 18.289 ( -12.026 -3.683 -1.412) 12.656 18.652 ( -7.973 0.250 1.131) 8.056 18.970 ( -13.319 -14.403 0.347) 19.621 19.462 ( 5.669 -14.699 -3.350) 16.107 21.126 ( -9.020 -17.592 2.232) 19.896 21.886 ( -10.343 -12.536 -1.931) 16.366 22.472 ( 1.384 -31.719 4.315) 32.041 22.769 ( 4.585 -22.990 -4.548) 23.880 23.618 ( -2.442 -21.483 -4.271) 22.039 24.765 ( 11.479 2.805 0.058) 11.817 ======================= Grid point 183 (54/231) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 12.205 -13.924 7.172) 19.856 2.234 ( 6.456 -14.853 9.328) 18.689 2.842 ( 4.138 -11.074 -12.507) 17.210 2.958 ( 3.482 -12.128 -17.697) 21.735 3.392 ( -3.727 -0.608 10.013) 10.701 3.593 ( 1.229 -6.889 3.977) 8.048 3.696 ( 3.053 -7.329 7.590) 10.984 3.936 ( 2.842 -5.389 7.120) 9.371 3.974 ( 11.520 -20.470 9.081) 25.183 4.434 ( -10.751 -8.022 4.046) 14.011 4.785 ( 0.767 -7.366 -1.913) 7.649 4.995 ( 6.303 -7.170 -7.922) 12.406 5.285 ( 0.029 -9.386 -11.918) 15.170 5.547 ( -4.985 -15.025 -16.389) 22.786 5.810 ( -8.693 -20.801 1.487) 22.593 6.129 ( -1.220 -7.900 -4.842) 9.345 6.501 ( 3.087 -13.406 5.244) 14.722 6.671 ( 0.157 -9.188 9.426) 13.164 6.908 ( -6.225 -12.577 5.602) 15.110 7.175 ( 1.640 -5.730 -2.155) 6.338 7.881 ( 0.414 -15.864 1.929) 15.987 8.206 ( -7.504 2.665 -3.663) 8.766 8.858 ( -1.047 0.796 -0.883) 1.584 9.086 ( -5.434 -0.847 -0.366) 5.512 9.589 ( 7.595 -5.634 0.229) 9.460 10.127 ( 8.421 4.059 17.488) 19.830 10.588 ( 6.133 2.681 -1.600) 6.881 11.568 ( 1.644 3.219 -6.476) 7.416 12.192 ( 17.806 5.182 1.362) 18.595 12.722 ( 3.655 14.267 -0.090) 14.728 13.452 ( -1.908 12.088 0.826) 12.266 13.771 ( 1.145 9.858 -2.532) 10.242 14.544 ( -6.108 12.910 -2.326) 14.470 15.150 ( -4.439 19.935 -2.191) 20.540 15.311 ( 2.463 18.590 -0.404) 18.756 15.734 ( 2.068 7.321 4.034) 8.610 16.352 ( 2.085 16.243 0.022) 16.376 17.482 ( 0.371 -9.519 0.178) 9.528 18.262 ( -11.733 -3.322 -0.693) 12.214 18.613 ( -4.942 -0.981 1.290) 5.201 19.119 ( -9.066 -9.915 0.305) 13.439 19.747 ( 2.177 -10.937 -4.569) 12.052 21.368 ( -6.353 -13.125 1.854) 14.699 22.065 ( -6.613 -11.846 -0.520) 13.577 22.984 ( 4.878 -18.884 1.478) 19.559 23.286 ( 3.035 -25.935 -2.720) 26.253 24.008 ( -4.174 -20.717 0.001) 21.133 24.797 ( 8.788 1.548 0.270) 8.928 ======================= Grid point 184 (55/231) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 5.677 -9.644 5.983) 12.690 2.505 ( 4.544 -8.866 8.462) 13.071 3.041 ( 3.017 -6.642 -7.015) 10.121 3.185 ( 1.959 -8.618 -16.136) 18.398 3.365 ( -2.758 0.005 5.202) 5.888 3.637 ( -3.159 -0.785 0.980) 3.399 3.901 ( 6.188 -6.197 5.999) 10.616 4.006 ( 3.918 -3.289 6.343) 8.148 4.418 ( 8.480 -12.503 6.425) 16.417 4.498 ( -8.546 -6.901 4.596) 11.907 4.899 ( 0.452 -3.947 -1.168) 4.141 5.212 ( 12.130 -8.518 -2.408) 15.016 5.437 ( 1.503 -5.579 -8.206) 10.036 5.715 ( -10.003 -8.027 -13.148) 18.368 6.048 ( -10.881 -10.919 -4.232) 15.985 6.240 ( -0.687 -4.728 -7.239) 8.674 6.738 ( 3.459 -7.136 7.310) 10.785 6.856 ( 1.163 -10.538 8.641) 13.677 7.128 ( -6.173 -12.912 6.150) 15.577 7.344 ( 4.451 -8.556 -1.064) 9.703 8.026 ( -6.897 6.777 -2.460) 9.978 8.152 ( -0.840 -10.197 -1.442) 10.332 8.887 ( -0.398 -1.817 0.612) 1.959 9.124 ( -3.855 -6.706 -0.726) 7.769 9.732 ( 7.354 -3.416 -0.521) 8.125 10.223 ( 6.274 -7.300 15.465) 18.216 10.655 ( 5.270 -3.121 -1.088) 6.221 11.455 ( -4.163 5.947 -3.869) 8.226 12.264 ( 9.140 4.956 -7.298) 12.703 12.618 ( 13.505 -3.003 4.710) 14.615 13.229 ( -3.158 8.445 1.665) 9.169 13.596 ( -1.278 7.825 0.112) 7.929 14.242 ( -8.125 13.071 -3.003) 15.681 14.645 ( -3.035 25.677 -1.010) 25.875 15.053 ( 0.789 10.250 -2.391) 10.554 15.627 ( 2.376 5.369 3.439) 6.804 16.069 ( 1.788 13.470 0.562) 13.600 17.625 ( 1.119 -4.720 -1.286) 5.019 18.251 ( -8.099 -2.865 -0.043) 8.591 18.611 ( -2.964 -1.545 1.477) 3.654 19.226 ( -4.976 -6.362 -0.033) 8.076 19.916 ( 0.568 -5.794 -4.422) 7.311 21.538 ( -3.912 -8.260 1.228) 9.222 22.229 ( -3.247 -8.404 -0.141) 9.011 23.299 ( 4.357 -10.421 -0.262) 11.298 23.749 ( 1.357 -18.962 -0.669) 19.022 24.331 ( -2.399 -14.417 0.414) 14.621 24.832 ( 5.495 0.378 0.921) 5.584 ======================= Grid point 185 (56/231) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( 0.809 -3.082 5.450) 6.313 2.643 ( 2.708 -2.506 7.175) 8.068 3.133 ( 0.016 -1.348 -4.233) 4.443 3.277 ( 0.477 -0.822 -7.354) 7.415 3.403 ( 0.041 -4.397 -3.608) 5.688 3.614 ( -1.706 0.661 -0.501) 1.897 3.987 ( 0.844 -1.072 6.209) 6.357 4.101 ( 3.930 -1.591 4.009) 5.835 4.506 ( -4.285 -1.984 5.357) 7.141 4.656 ( 3.475 -4.641 4.204) 7.162 4.948 ( -0.059 -0.946 -0.034) 0.948 5.434 ( 5.745 -3.966 -5.716) 9.023 5.537 ( 4.967 -2.830 -1.627) 5.944 5.734 ( -6.493 -2.467 -6.940) 9.819 6.102 ( -5.632 -2.059 -10.221) 11.850 6.296 ( -2.534 -2.047 -9.696) 10.228 6.847 ( 1.868 -2.404 13.477) 13.817 7.041 ( 3.880 -4.926 5.097) 8.081 7.266 ( -5.546 -4.903 5.861) 9.442 7.518 ( 2.796 -4.522 -1.467) 5.515 7.872 ( -2.223 3.295 -0.562) 4.014 8.287 ( -1.269 -4.309 -6.335) 7.766 8.888 ( 0.675 1.823 2.995) 3.571 9.239 ( -2.287 -5.766 0.189) 6.206 9.819 ( 4.057 -0.828 0.168) 4.144 10.432 ( 2.589 -7.465 13.639) 15.762 10.698 ( 0.491 1.434 1.472) 2.113 11.375 ( -1.848 -1.937 -4.403) 5.153 12.135 ( 2.730 8.336 -8.765) 12.400 12.898 ( 9.185 -4.882 -0.938) 10.444 13.148 ( 0.731 -5.910 5.642) 8.204 13.460 ( -4.711 3.555 3.046) 6.642 13.905 ( -7.261 13.453 -2.868) 15.554 14.257 ( 2.229 11.414 -0.951) 11.668 14.920 ( -1.132 3.249 -4.399) 5.584 15.567 ( 1.814 2.163 3.280) 4.327 15.891 ( 0.579 5.178 0.894) 5.287 17.688 ( 0.646 -1.266 -1.986) 2.442 18.249 ( -2.727 -0.939 -0.143) 2.888 18.620 ( -1.080 -0.758 1.891) 2.306 19.289 ( -1.715 -2.527 -0.213) 3.061 19.990 ( 0.014 -1.816 -4.108) 4.492 21.627 ( -1.325 -2.801 0.938) 3.237 22.327 ( -0.950 -3.025 -0.158) 3.175 23.454 ( 1.554 -3.362 -0.640) 3.759 24.012 ( 0.662 -7.002 0.199) 7.036 24.508 ( -0.825 -4.578 -0.262) 4.659 24.860 ( 1.887 -0.394 1.604) 2.508 ======================= Grid point 186 (57/231) ======================= q-point: (-0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -2.571 4.163 5.116) 7.079 2.640 ( 0.084 3.959 6.874) 7.933 3.097 ( -2.308 3.580 -5.089) 6.637 3.273 ( 0.032 1.834 -6.333) 6.593 3.474 ( 0.772 -2.360 -2.428) 3.473 3.607 ( 0.720 -0.504 -2.023) 2.206 3.977 ( -0.823 2.030 6.267) 6.639 4.094 ( -3.403 2.624 4.616) 6.307 4.491 ( 3.286 3.395 5.292) 7.094 4.675 ( -2.978 3.087 4.548) 6.251 4.938 ( 0.219 1.782 -0.795) 1.963 5.418 ( -9.000 3.957 -5.303) 11.170 5.515 ( -4.818 2.815 -4.399) 7.106 5.828 ( 18.458 0.091 -0.669) 18.471 6.064 ( -2.572 2.809 -13.861) 14.375 6.280 ( -1.025 2.271 -9.514) 9.835 6.855 ( 1.328 3.022 14.385) 14.759 7.077 ( 5.518 4.849 4.117) 8.421 7.222 ( -5.243 5.333 5.545) 9.310 7.496 ( -4.052 4.856 -1.939) 6.615 7.916 ( 6.835 -4.188 0.728) 8.048 8.308 ( -0.814 1.092 -6.749) 6.885 8.829 ( 1.412 4.635 2.494) 5.450 9.271 ( -0.324 1.782 0.850) 2.001 9.806 ( -1.197 3.459 -0.431) 3.685 10.388 ( -5.440 8.794 12.225) 16.012 10.724 ( -0.540 -2.704 1.553) 3.165 11.479 ( 2.086 -7.007 0.271) 7.316 12.074 ( 1.843 -1.739 -11.172) 11.455 12.794 ( -15.719 10.291 -2.417) 18.943 13.204 ( -2.324 1.216 6.615) 7.116 13.521 ( 7.642 -5.579 4.083) 10.305 13.906 ( 6.672 -16.207 -3.561) 17.885 14.222 ( 0.523 -5.815 -1.274) 5.976 14.915 ( -1.888 -4.036 -4.723) 6.493 15.581 ( 0.563 -2.561 3.722) 4.553 15.886 ( -0.826 -4.769 0.670) 4.886 17.685 ( -0.339 1.682 -2.043) 2.668 18.248 ( 3.120 0.995 -0.149) 3.278 18.620 ( 1.010 0.833 1.874) 2.286 19.296 ( 1.072 1.612 -0.019) 1.936 19.990 ( -0.197 1.668 -4.153) 4.480 21.627 ( 1.355 2.816 0.949) 3.265 22.325 ( 0.751 3.283 -0.219) 3.375 23.453 ( -1.572 3.370 -0.654) 3.776 24.020 ( 0.081 6.460 0.364) 6.470 24.488 ( 0.172 6.267 -0.574) 6.296 24.873 ( -1.796 -0.834 1.790) 2.669 ======================= Grid point 187 (58/231) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( -6.236 10.652 5.036) 13.331 2.499 ( -3.145 9.244 7.666) 12.414 2.971 ( -2.508 7.547 -8.264) 11.469 3.186 ( -1.614 6.598 -9.099) 11.355 3.511 ( 1.600 -0.753 0.893) 1.981 3.629 ( 1.290 0.085 -0.903) 1.577 3.892 ( -3.501 5.781 3.090) 7.431 3.968 ( -5.710 5.382 11.224) 13.695 4.380 ( -2.633 11.788 5.145) 13.129 4.527 ( 0.859 7.897 6.311) 10.146 4.890 ( 1.360 3.745 -3.317) 5.185 5.210 ( -9.468 8.168 -1.901) 12.648 5.412 ( -2.409 5.778 -10.468) 12.197 5.886 ( 11.039 7.311 -3.416) 13.674 5.945 ( 5.932 10.371 -12.077) 16.989 6.200 ( 1.139 5.437 -5.910) 8.111 6.760 ( 0.242 7.263 11.654) 13.734 6.945 ( 3.925 13.189 1.091) 13.804 7.012 ( -1.546 11.326 8.337) 14.148 7.340 ( -3.606 7.261 -0.995) 8.168 8.040 ( 6.249 -0.614 -1.491) 6.453 8.238 ( 1.497 4.687 -0.484) 4.944 8.761 ( 1.711 2.722 -1.273) 3.458 9.190 ( 2.630 6.177 0.465) 6.730 9.687 ( -5.736 4.933 -1.851) 7.788 10.172 ( -6.993 7.322 13.447) 16.832 10.707 ( -5.178 1.304 0.062) 5.340 11.654 ( 2.797 -9.029 3.981) 10.257 12.187 ( -5.305 -4.652 -14.179) 15.838 12.431 ( -14.577 6.163 3.126) 16.132 13.275 ( -0.709 -8.519 3.575) 9.266 13.700 ( 1.161 -10.209 1.880) 10.445 14.287 ( 10.023 -10.496 -2.354) 14.703 14.523 ( 2.590 -24.456 -3.127) 24.791 15.051 ( -2.295 -11.723 -2.866) 12.285 15.657 ( -0.569 -4.783 4.286) 6.448 16.061 ( -1.887 -13.840 0.215) 13.969 17.612 ( -0.345 5.722 -1.552) 5.939 18.263 ( 8.120 1.658 0.171) 8.289 18.606 ( 2.960 1.947 1.397) 3.809 19.242 ( 4.172 5.867 0.417) 7.211 19.920 ( -0.626 5.412 -4.481) 7.054 21.540 ( 4.027 8.025 1.326) 9.076 22.214 ( 2.872 9.348 -0.488) 9.792 23.306 ( -4.262 9.489 -0.091) 10.403 23.772 ( -1.097 18.187 -0.241) 18.222 24.272 ( 2.004 16.704 -0.656) 16.837 24.867 ( -5.223 -1.400 1.544) 5.623 ======================= Grid point 188 (59/231) ======================= q-point: (-0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -12.004 15.387 5.209) 20.199 2.243 ( -5.859 13.870 8.960) 17.521 2.770 ( -2.219 11.050 -12.119) 16.549 2.997 ( -3.516 10.622 -13.554) 17.576 3.512 ( -0.520 5.040 5.795) 7.698 3.559 ( -1.590 4.939 4.237) 6.699 3.733 ( -2.552 6.265 4.241) 7.984 3.867 ( -0.601 2.973 11.878) 12.259 3.970 ( -12.088 22.012 8.754) 26.595 4.420 ( 8.987 8.659 5.249) 13.539 4.807 ( 0.164 5.625 -5.252) 7.698 5.002 ( -3.094 8.590 -5.539) 10.678 5.249 ( -2.326 8.829 -14.995) 17.555 5.638 ( 1.541 19.833 -14.680) 24.723 5.776 ( 9.231 15.256 2.871) 18.061 6.096 ( 4.103 7.543 -4.698) 9.787 6.578 ( -2.808 12.134 7.211) 14.391 6.626 ( 1.143 17.383 5.954) 18.410 6.842 ( 4.538 8.392 5.303) 10.915 7.196 ( -1.669 4.870 -1.273) 5.303 7.894 ( -0.208 14.876 2.176) 15.036 8.245 ( 7.011 1.958 -3.029) 7.884 8.786 ( 1.781 -5.235 -1.612) 5.760 9.118 ( 4.625 3.168 0.138) 5.607 9.586 ( -6.389 0.227 -1.647) 6.602 10.018 ( -6.744 3.478 14.646) 16.495 10.680 ( -7.134 -5.497 1.699) 9.165 11.819 ( -8.028 -5.289 -1.138) 9.681 12.018 ( -14.922 -1.675 -1.819) 15.126 12.579 ( 1.092 -15.314 -3.001) 15.643 13.485 ( -0.726 -13.135 1.726) 13.267 13.914 ( -3.822 -12.231 0.750) 12.836 14.528 ( 6.744 -9.272 -3.548) 12.002 15.023 ( 4.317 -21.646 -2.794) 22.249 15.333 ( -1.836 -18.746 -1.594) 18.903 15.753 ( -0.619 -5.615 4.494) 7.218 16.357 ( -2.159 -17.113 0.075) 17.249 17.455 ( 1.198 10.846 -0.450) 10.921 18.299 ( 11.659 2.596 0.060) 11.945 18.602 ( 3.708 0.368 1.131) 3.894 19.135 ( 8.639 9.858 0.757) 13.130 19.759 ( -2.200 10.540 -4.505) 11.671 21.383 ( 6.482 11.895 2.398) 13.758 22.014 ( 6.386 14.540 -1.762) 15.978 23.011 ( -5.031 18.470 2.026) 19.250 23.346 ( -4.198 21.717 -1.484) 22.169 23.883 ( 5.344 25.727 -2.360) 26.382 24.860 ( -8.458 -3.246 1.375) 9.163 ======================= Grid point 189 (60/231) ======================= q-point: (-0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -18.569 17.419 6.169) 26.197 1.874 ( -8.056 19.121 9.865) 22.974 2.528 ( -1.799 11.623 -16.221) 20.036 2.736 ( -6.468 11.890 -17.927) 22.463 3.236 ( -6.210 24.538 12.091) 28.051 3.324 ( -7.181 18.189 15.524) 24.968 3.574 ( 4.411 3.941 6.363) 8.688 3.633 ( -4.525 3.876 13.452) 14.713 3.860 ( 3.072 0.797 2.821) 4.247 4.300 ( 7.027 9.854 5.290) 13.208 4.652 ( -2.589 10.164 -7.496) 12.891 4.806 ( 1.672 11.851 -13.257) 17.860 5.061 ( 0.308 8.928 -15.064) 17.514 5.203 ( 1.743 24.533 -12.336) 27.515 5.497 ( 1.939 16.593 4.095) 17.201 5.954 ( 3.430 9.798 -6.341) 12.164 6.223 ( -2.182 18.122 8.397) 20.092 6.397 ( 5.234 11.464 7.476) 14.653 6.744 ( 0.703 3.896 3.246) 5.120 7.139 ( 0.493 0.678 -2.583) 2.715 7.569 ( -1.652 16.703 5.320) 17.608 8.167 ( 5.581 10.113 -6.795) 13.401 8.995 ( 3.300 -12.194 0.026) 12.633 9.148 ( 1.774 -4.298 0.447) 4.671 9.548 ( -3.642 1.201 6.259) 7.340 9.981 ( -3.774 -5.408 13.094) 14.661 10.876 ( -5.359 -19.573 3.936) 20.672 11.746 ( -25.099 -6.785 -6.190) 26.727 12.156 ( -2.914 -12.503 3.195) 13.229 12.907 ( 1.068 -17.141 -4.434) 17.737 13.757 ( -0.371 -14.955 0.415) 14.965 14.105 ( -6.717 -11.531 -1.454) 13.424 14.753 ( 5.599 -9.148 -2.198) 10.949 15.388 ( 0.112 -14.625 -0.275) 14.628 15.721 ( 0.331 -20.355 -4.418) 20.831 15.870 ( 0.282 -6.935 4.826) 8.454 16.658 ( -1.881 -14.886 0.677) 15.020 17.215 ( 3.078 15.243 0.720) 15.567 18.299 ( 12.746 7.401 -1.154) 14.784 18.662 ( 3.727 -2.352 1.339) 4.606 19.006 ( 14.644 10.759 1.285) 18.217 19.466 ( -6.161 16.182 -3.506) 17.667 21.187 ( 7.877 13.629 4.557) 16.388 21.754 ( 12.595 19.327 -5.461) 23.706 22.489 ( -2.340 31.413 3.141) 31.656 22.929 ( -10.226 16.628 1.581) 19.585 23.391 ( 8.870 28.823 -9.697) 31.678 24.880 ( -12.102 -6.878 1.646) 14.017 ======================= Grid point 190 (61/231) ======================= q-point: (-0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -22.739 16.100 9.566) 29.458 1.392 ( -9.231 23.722 10.929) 27.701 2.316 ( -2.076 9.759 -16.189) 19.017 2.404 ( -8.924 25.079 5.753) 27.234 2.568 ( -6.882 20.783 -7.540) 23.155 3.101 ( 0.159 7.887 16.509) 18.297 3.492 ( 1.082 4.970 18.207) 18.905 3.608 ( 0.373 -0.361 4.587) 4.616 3.846 ( 3.080 3.971 0.665) 5.069 4.154 ( 3.398 8.877 4.303) 10.434 4.379 ( -2.891 14.805 -12.819) 19.796 4.554 ( 2.790 14.725 -13.857) 20.411 4.740 ( 3.250 21.515 -13.343) 25.524 4.956 ( 2.431 5.191 -5.199) 7.738 5.208 ( -4.116 11.428 -2.171) 12.339 5.779 ( -0.243 9.400 -0.938) 9.449 5.895 ( 0.911 14.492 4.241) 15.128 6.260 ( 7.753 7.403 6.573) 12.574 6.696 ( -2.227 0.618 3.943) 4.570 7.158 ( 0.853 -0.632 -2.347) 2.576 7.269 ( -0.877 11.638 4.939) 12.673 7.980 ( 3.012 11.299 -7.184) 13.724 9.155 ( -1.538 -4.761 4.435) 6.686 9.372 ( 0.627 -15.258 0.147) 15.271 9.557 ( 1.381 -6.543 20.945) 21.987 10.174 ( 5.404 -12.710 15.391) 20.679 11.280 ( -4.864 -21.467 2.797) 22.189 11.791 ( -25.257 -18.083 -2.801) 31.189 12.394 ( -3.691 -14.572 2.647) 15.264 13.245 ( 0.466 -16.898 -6.142) 17.986 14.046 ( 0.312 -14.459 -0.613) 14.475 14.276 ( -6.265 -11.524 -5.232) 14.122 14.958 ( 5.063 -7.808 1.412) 9.412 15.601 ( 0.489 -7.212 -0.274) 7.234 15.960 ( 2.599 -3.823 1.018) 4.734 16.143 ( -1.998 -19.881 -2.665) 20.158 16.842 ( -1.044 3.049 2.385) 4.009 16.976 ( 2.970 2.945 0.202) 4.187 18.177 ( 8.995 14.655 -1.309) 17.245 18.547 ( 12.775 22.698 2.123) 26.133 19.054 ( -2.680 -3.911 0.103) 4.742 19.144 ( 2.073 4.150 -1.246) 4.804 20.966 ( 5.510 14.771 6.825) 17.179 21.427 ( 22.931 30.046 -11.010) 39.368 21.864 ( 0.900 28.746 0.567) 28.766 22.494 ( -3.463 23.241 5.333) 24.095 22.956 ( 0.552 19.149 -20.918) 28.364 24.955 ( -18.183 -12.315 2.073) 22.059 ======================= Grid point 191 (62/231) ======================= q-point: (-0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -17.711 10.019 19.888) 28.454 0.867 ( -7.665 21.522 18.554) 29.431 1.604 ( -8.792 37.552 39.919) 55.507 2.233 ( -1.314 1.240 -22.579) 22.651 2.358 ( -4.288 3.797 -24.253) 24.920 2.995 ( 1.145 3.797 16.086) 16.567 3.441 ( -0.700 0.544 20.435) 20.454 3.612 ( 2.355 1.045 0.745) 2.682 3.741 ( 2.127 7.927 -2.490) 8.577 4.013 ( 0.106 6.605 0.901) 6.667 4.088 ( -2.394 11.294 -18.509) 21.814 4.338 ( 1.477 8.261 -4.909) 9.722 4.457 ( 5.351 9.929 -8.173) 13.929 4.889 ( 2.868 3.950 2.608) 5.535 5.015 ( -6.651 4.206 -11.998) 14.348 5.596 ( -0.791 7.751 14.450) 16.417 5.705 ( 0.964 6.196 -10.128) 11.912 6.218 ( 5.887 2.607 3.615) 7.384 6.685 ( -1.818 -0.907 6.585) 6.891 7.038 ( -1.265 6.921 6.288) 9.436 7.243 ( 1.739 -2.487 -4.340) 5.296 7.806 ( 0.656 7.347 -4.593) 8.690 9.270 ( -7.802 -10.104 3.704) 13.292 9.622 ( -0.384 -9.717 -1.023) 9.778 9.901 ( 2.968 -23.296 21.209) 31.643 10.680 ( 38.209 -38.019 51.850) 74.792 11.505 ( -15.013 -11.564 -0.072) 18.951 12.073 ( -19.171 -24.776 7.914) 32.311 12.668 ( -6.163 -16.874 6.412) 19.075 13.545 ( -1.417 -13.191 -7.059) 15.028 14.299 ( 2.956 -9.151 -3.578) 10.261 14.456 ( -2.822 -9.317 -9.556) 13.642 15.106 ( 3.873 -2.487 2.690) 5.331 15.673 ( 14.213 5.450 -2.972) 15.509 15.993 ( -0.951 0.796 2.099) 2.438 16.447 ( -2.264 -8.121 -7.365) 11.195 16.649 ( -1.847 4.180 -2.165) 5.057 17.056 ( 0.388 -0.438 8.059) 8.081 17.788 ( 1.303 26.194 -1.244) 26.256 18.215 ( 3.800 10.567 5.755) 12.619 18.970 ( 3.341 1.854 -3.131) 4.940 19.397 ( -5.686 -14.066 -5.416) 16.109 20.674 ( 5.026 21.013 0.658) 21.616 20.880 ( 21.348 37.705 -5.863) 43.724 21.430 ( 31.029 34.500 -14.152) 48.511 22.052 ( 6.791 20.397 0.535) 21.504 22.601 ( -25.454 9.597 -20.244) 33.909 25.070 ( -32.296 -16.766 -1.454) 36.417 ======================= Grid point 193 (63/231) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 8.027 0.000 29.261) 30.343 0.891 ( 21.198 0.000 28.486) 35.508 1.283 ( 33.717 0.000 39.240) 51.736 2.225 ( 1.262 0.000 -22.308) 22.343 2.323 ( 4.959 0.000 -25.052) 25.538 2.990 ( 1.312 0.000 15.792) 15.847 3.329 ( -7.753 -0.000 15.557) 17.382 3.613 ( -1.609 -0.000 -6.119) 6.327 3.719 ( 1.635 0.000 7.081) 7.267 3.919 ( -2.339 -0.000 2.127) 3.161 3.988 ( 5.748 0.000 -25.468) 26.108 4.243 ( -1.980 -0.000 0.361) 2.013 4.347 ( -8.716 -0.000 -3.634) 9.443 4.850 ( -2.367 -0.000 7.681) 8.037 4.914 ( 0.970 0.000 -19.220) 19.244 5.576 ( 5.870 0.000 15.483) 16.559 5.622 ( -2.422 -0.000 -13.021) 13.244 6.158 ( -8.010 -0.000 4.674) 9.274 6.746 ( 4.721 0.000 6.432) 7.978 6.979 ( 2.007 0.000 6.384) 6.692 7.233 ( -5.927 -0.000 -5.158) 7.857 7.738 ( 0.963 0.000 -1.770) 2.015 9.111 ( -13.562 -0.000 18.270) 22.753 9.707 ( -3.785 -0.000 3.345) 5.051 9.906 ( -15.904 -0.000 11.041) 19.361 11.108 ( -17.839 -0.000 16.532) 24.322 12.019 ( -14.864 -0.000 14.376) 20.679 12.566 ( -2.287 -0.000 -10.066) 10.323 13.291 ( 2.832 0.000 8.208) 8.683 13.978 ( -0.009 -0.000 5.693) 5.693 14.029 ( 11.046 0.000 -15.220) 18.806 14.552 ( 1.159 0.000 -2.943) 3.163 15.071 ( 0.046 0.000 -13.328) 13.328 15.440 ( -28.034 -0.000 28.656) 40.089 15.887 ( -10.990 -0.000 -10.595) 15.266 16.532 ( 15.603 0.000 -8.453) 17.746 16.773 ( 4.926 0.000 1.327) 5.102 16.958 ( -0.382 -0.000 17.511) 17.515 17.479 ( 3.451 0.000 -3.837) 5.160 18.334 ( 0.103 0.000 -17.804) 17.805 18.718 ( -12.090 -0.000 3.057) 12.470 19.168 ( -0.061 -0.000 8.590) 8.590 20.366 ( -16.843 -0.000 -5.025) 17.576 20.532 ( -0.005 -0.000 -0.702) 0.702 21.064 ( -15.881 -0.000 26.490) 30.885 21.850 ( -7.056 -0.000 -2.165) 7.381 22.804 ( 45.685 0.000 -33.676) 56.756 24.830 ( 21.369 0.000 -2.850) 21.558 ======================= Grid point 194 (64/231) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 12.578 -19.225 14.483) 27.158 1.254 ( 25.139 -12.456 18.363) 33.531 1.829 ( 29.366 -26.702 28.507) 48.867 2.268 ( 3.887 -4.130 -20.379) 21.153 2.399 ( 7.383 -3.463 -23.594) 24.964 3.040 ( 1.630 -4.171 16.119) 16.730 3.289 ( -6.396 -1.573 15.515) 16.855 3.618 ( -2.922 -0.875 -1.432) 3.369 3.768 ( -1.420 -4.606 4.613) 6.672 3.974 ( -3.667 -7.057 2.522) 8.344 4.134 ( 4.105 -9.762 -16.815) 19.872 4.283 ( -4.608 -7.589 -8.862) 12.544 4.433 ( -4.980 -14.704 -4.321) 16.114 4.865 ( -4.895 -3.543 3.090) 6.787 4.959 ( 2.908 -4.196 -15.138) 15.976 5.634 ( -1.291 -4.069 -8.655) 9.651 5.720 ( 4.791 -8.683 10.071) 14.134 6.131 ( -8.935 -4.128 8.175) 12.795 6.763 ( 4.112 1.464 4.891) 6.556 7.066 ( 2.718 -6.711 5.939) 9.364 7.155 ( -7.743 1.774 -4.677) 9.218 7.814 ( 0.184 -6.700 -3.787) 7.698 8.991 ( -4.383 1.675 21.365) 21.874 9.549 ( -7.318 9.831 7.212) 14.221 9.707 ( -5.321 10.261 5.845) 12.952 10.881 ( -4.524 12.443 23.452) 26.931 11.590 ( 2.747 27.998 6.147) 28.797 12.268 ( 7.425 22.326 -12.246) 26.524 12.873 ( 24.650 21.313 14.884) 35.825 13.605 ( 6.290 12.832 -7.909) 16.333 14.277 ( -6.819 10.479 -3.413) 12.960 14.429 ( 4.592 12.030 -6.505) 14.426 15.148 ( -0.786 -2.925 1.313) 3.301 15.596 ( -13.465 -14.026 6.032) 20.357 15.788 ( -12.731 -1.325 -5.069) 13.767 16.528 ( 0.869 11.118 -7.495) 13.437 16.672 ( 5.294 -0.959 3.318) 6.321 17.103 ( 1.110 -0.177 8.040) 8.118 17.771 ( -1.864 -27.393 -1.654) 27.506 18.139 ( -6.860 -0.352 5.989) 9.114 18.869 ( -18.171 -1.351 -15.154) 23.699 19.173 ( 4.279 -0.716 5.306) 6.854 20.314 ( -16.811 -16.772 -5.884) 24.465 21.090 ( 2.439 -33.534 1.614) 33.662 21.286 ( -21.850 -27.699 11.719) 37.175 21.911 ( -6.967 -13.111 -2.675) 15.086 23.077 ( 16.640 -4.778 -19.495) 26.072 24.954 ( 23.875 5.726 -7.959) 25.810 ======================= Grid point 195 (65/231) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 12.195 -22.208 7.278) 26.361 1.665 ( 25.610 -10.636 11.910) 30.181 2.381 ( 7.302 -10.982 -18.760) 22.932 2.541 ( 8.272 -8.081 -18.626) 21.924 2.710 ( 18.569 -32.756 17.651) 41.585 3.183 ( 2.713 -8.429 16.251) 18.507 3.311 ( -3.414 -4.790 13.652) 14.865 3.597 ( -4.046 -0.178 2.960) 5.016 3.845 ( -2.318 -4.090 2.632) 5.388 4.094 ( -7.039 -8.638 4.126) 11.882 4.360 ( -3.102 -13.370 -3.475) 14.158 4.526 ( 2.370 -16.694 -19.421) 25.720 4.781 ( -3.313 -22.001 -7.989) 23.640 4.919 ( -5.155 -6.781 -2.868) 8.987 5.123 ( 3.288 -10.151 -8.940) 13.920 5.739 ( -3.193 -8.493 -11.835) 14.913 5.973 ( 5.104 -12.755 11.889) 18.168 6.201 ( -8.623 -9.861 10.189) 16.596 6.760 ( 2.394 1.066 4.314) 5.047 7.073 ( -7.328 -0.047 -4.286) 8.490 7.279 ( 2.570 -12.502 4.842) 13.651 7.969 ( -2.083 -9.323 -4.622) 10.612 9.020 ( 0.909 -2.898 7.033) 7.661 9.297 ( -6.388 11.020 2.648) 13.010 9.472 ( -0.987 8.345 7.923) 11.549 10.609 ( 1.575 14.753 18.102) 23.406 11.139 ( 8.670 23.341 -1.624) 24.953 11.935 ( 9.343 17.591 -11.088) 22.797 12.702 ( 23.011 17.063 9.552) 30.197 13.365 ( 6.338 16.623 -6.640) 18.989 13.974 ( -3.804 14.356 -1.956) 14.979 14.208 ( 4.453 12.844 -3.366) 14.004 15.043 ( -1.735 11.337 0.532) 11.481 15.618 ( -4.358 3.868 -3.443) 6.768 15.778 ( -7.716 -2.329 5.897) 9.987 16.252 ( 5.890 18.122 -3.975) 19.465 16.768 ( -2.599 -3.232 0.037) 4.148 17.075 ( 3.119 -0.343 2.893) 4.268 18.089 ( -14.843 -5.170 0.894) 15.743 18.316 ( -16.605 -26.198 3.894) 31.260 18.712 ( -12.660 0.481 -3.508) 13.146 19.287 ( 6.917 -7.635 -2.851) 10.690 20.645 ( -10.910 -24.239 -1.530) 26.625 21.534 ( -12.520 -16.744 5.115) 21.524 21.811 ( 1.344 -34.530 1.537) 34.590 22.284 ( -4.955 -27.865 -3.228) 28.486 23.284 ( 2.261 -10.835 -7.122) 13.162 24.970 ( 17.253 7.342 -4.044) 19.182 ======================= Grid point 196 (66/231) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 11.725 -16.814 5.941) 21.342 2.041 ( 18.722 -11.194 9.688) 23.868 2.652 ( 6.740 -11.958 -16.259) 21.278 2.764 ( 5.204 -10.506 -16.950) 20.610 3.311 ( -3.831 -5.437 13.046) 14.644 3.409 ( 6.307 -16.237 10.005) 20.087 3.561 ( 12.719 -21.042 11.183) 27.011 3.601 ( 1.657 -6.812 7.244) 10.081 3.898 ( -1.461 -3.194 3.587) 5.021 4.196 ( -10.036 -8.318 4.159) 13.683 4.596 ( -1.740 -12.155 -2.368) 12.506 4.866 ( 6.279 -12.729 -13.227) 19.401 5.029 ( -6.635 -12.873 -6.041) 15.692 5.197 ( -3.192 -18.668 -10.114) 21.471 5.388 ( -0.466 -15.971 -5.353) 16.851 5.909 ( -4.168 -11.625 -13.452) 18.261 6.267 ( 5.009 -13.251 10.203) 17.458 6.391 ( -7.231 -15.506 10.204) 19.921 6.766 ( 0.172 -1.029 5.824) 5.917 7.066 ( -5.099 -4.387 -3.182) 7.441 7.575 ( 1.741 -15.759 3.068) 16.149 8.112 ( -4.237 -6.594 -3.855) 8.735 8.950 ( -3.421 9.144 -0.228) 9.766 9.079 ( -5.352 4.306 0.113) 6.870 9.496 ( 4.601 -7.152 5.732) 10.255 10.352 ( 2.501 12.211 12.645) 17.756 10.834 ( 13.035 15.725 0.351) 20.428 11.722 ( 5.568 10.566 -8.039) 14.397 12.540 ( 20.679 15.298 5.328) 26.268 13.070 ( 5.874 17.910 -3.485) 19.168 13.688 ( -1.498 13.184 -0.763) 13.290 14.005 ( 4.830 11.928 -2.511) 13.111 14.757 ( -5.983 13.964 -1.964) 15.318 15.420 ( -5.616 12.384 -3.445) 14.027 15.655 ( -2.276 12.514 2.148) 12.900 15.974 ( 8.590 14.434 3.609) 17.180 16.657 ( 1.734 12.154 -0.475) 12.287 17.245 ( -1.057 -13.342 0.376) 13.389 18.059 ( -18.536 -5.845 -0.258) 19.438 18.506 ( -11.702 -6.072 0.119) 13.184 18.780 ( -11.887 -14.838 3.368) 19.308 19.541 ( 5.046 -12.181 -6.412) 14.661 21.011 ( -5.943 -19.208 1.780) 20.185 21.760 ( -6.348 -14.676 0.896) 16.015 22.489 ( 0.696 -33.170 3.368) 33.348 22.817 ( 1.934 -26.567 -4.663) 27.043 23.560 ( -4.887 -19.011 -0.806) 19.645 24.945 ( 11.785 5.913 -1.626) 13.285 ======================= Grid point 197 (67/231) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 10.802 -10.518 5.310) 15.984 2.366 ( 11.663 -10.363 8.394) 17.717 2.908 ( 4.498 -9.608 -9.164) 14.019 3.011 ( 4.378 -10.970 -16.195) 20.044 3.338 ( -3.668 -1.086 7.456) 8.380 3.558 ( -4.615 -4.267 1.995) 6.594 3.791 ( 7.510 -10.182 8.280) 15.120 3.956 ( 0.711 -3.943 5.265) 6.616 4.173 ( 12.787 -20.765 8.764) 25.913 4.281 ( -9.045 -8.164 4.779) 13.088 4.787 ( -0.177 -7.919 -0.732) 7.955 5.104 ( 7.095 -10.010 -3.127) 12.662 5.279 ( 0.352 -12.359 -11.337) 16.775 5.445 ( -8.194 -11.674 -8.055) 16.380 5.699 ( -4.875 -16.895 -5.458) 18.411 6.095 ( -4.291 -9.785 -14.756) 18.219 6.551 ( 2.562 -12.749 7.882) 15.205 6.666 ( -0.574 -14.072 7.298) 15.863 6.835 ( -2.825 -8.441 9.929) 13.335 7.176 ( -1.857 -9.490 -1.875) 9.850 7.884 ( -0.160 -14.554 0.221) 14.556 8.108 ( -5.317 3.451 -2.184) 6.705 8.818 ( -4.547 -0.285 0.915) 4.647 9.021 ( -3.216 -1.614 -1.871) 4.056 9.683 ( 5.135 -6.784 1.289) 8.605 10.230 ( 5.164 2.637 12.232) 13.536 10.721 ( 11.208 5.679 -0.150) 12.566 11.568 ( -1.012 8.093 -3.527) 8.886 12.448 ( 13.834 7.929 -1.503) 16.016 12.803 ( 8.578 12.459 1.174) 15.172 13.432 ( -0.369 12.765 -0.481) 12.780 13.802 ( 2.713 12.200 -1.010) 12.539 14.444 ( -6.686 13.237 -2.979) 15.126 15.061 ( -6.776 19.722 -4.188) 21.271 15.329 ( -0.418 17.209 0.524) 17.222 15.806 ( 7.456 9.995 5.358) 13.572 16.388 ( 2.844 16.414 0.330) 16.662 17.487 ( -0.034 -10.969 -1.069) 11.021 18.062 ( -14.634 -7.032 0.122) 16.236 18.529 ( -6.528 -4.043 0.317) 7.685 18.983 ( -9.137 -13.244 2.461) 16.277 19.778 ( 2.014 -9.170 -6.315) 11.315 21.299 ( -2.655 -13.871 1.918) 14.252 22.004 ( -1.649 -12.975 0.109) 13.080 23.039 ( 2.515 -20.872 1.469) 21.075 23.323 ( 1.941 -24.519 -2.739) 24.747 23.935 ( -5.517 -22.438 1.006) 23.129 24.920 ( 7.377 3.899 -0.269) 8.348 ======================= Grid point 198 (68/231) ======================= q-point: ( 0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 7.305 -5.389 5.082) 10.403 2.601 ( 8.590 -5.890 7.336) 12.740 3.074 ( 1.263 -5.128 -5.205) 7.415 3.220 ( 3.037 -6.743 -12.722) 14.716 3.332 ( -1.704 -1.639 1.993) 3.093 3.587 ( -3.435 -1.908 0.596) 3.975 3.949 ( 0.490 -3.421 6.117) 7.026 4.063 ( 1.085 -4.490 4.648) 6.553 4.394 ( -0.373 -7.476 6.272) 9.765 4.533 ( 3.196 -10.458 4.972) 12.012 4.896 ( -0.923 -4.031 0.373) 4.152 5.349 ( 2.288 -7.616 -6.709) 10.405 5.452 ( -4.822 -6.298 -4.153) 8.953 5.603 ( 5.361 -10.096 -3.300) 11.898 5.943 ( -2.636 -10.753 -10.083) 14.975 6.202 ( -5.038 -5.289 -12.487) 14.467 6.758 ( -0.344 -7.530 10.763) 13.141 6.917 ( 5.333 -10.572 5.066) 12.880 7.047 ( -3.904 -13.042 7.921) 15.750 7.374 ( -1.075 -10.534 -1.483) 10.692 7.945 ( -3.317 5.775 -1.025) 6.738 8.135 ( -1.445 -9.690 -3.143) 10.289 8.837 ( -6.197 -3.991 3.212) 8.040 9.101 ( 0.361 -6.902 -3.403) 7.704 9.817 ( 4.282 -3.408 1.250) 5.614 10.316 ( 6.105 -6.107 11.976) 14.765 10.734 ( 5.054 0.999 0.256) 5.158 11.393 ( -4.069 6.554 -1.716) 7.903 12.326 ( 0.026 9.734 -5.796) 11.329 12.851 ( 16.004 -6.598 1.880) 17.412 13.193 ( -1.131 10.416 -0.289) 10.481 13.577 ( -1.971 10.583 1.475) 10.866 14.141 ( -4.108 14.468 -1.885) 15.158 14.609 ( -1.979 21.243 -3.585) 21.634 15.041 ( -2.371 10.914 -1.707) 11.298 15.683 ( 4.845 7.353 4.339) 9.816 16.098 ( 2.170 14.378 0.937) 14.571 17.646 ( 1.820 -4.598 -1.863) 5.285 18.117 ( -9.781 -7.796 0.204) 12.509 18.566 ( -3.115 -3.232 1.057) 4.611 19.151 ( -5.141 -9.286 1.077) 10.669 19.923 ( 0.525 -5.127 -5.343) 7.423 21.510 ( 0.155 -8.768 1.402) 8.880 22.217 ( 1.415 -8.621 -0.144) 8.738 23.341 ( 1.422 -9.714 -0.179) 9.819 23.763 ( 0.551 -18.622 -0.314) 18.633 24.292 ( -2.856 -16.325 0.448) 16.579 24.899 ( 3.436 2.441 0.735) 4.278 ======================= Grid point 199 (69/231) ======================= q-point: ( 0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 3.901 0.699 4.956) 6.345 2.709 ( 6.162 0.675 7.098) 9.424 3.118 ( -1.735 0.094 -4.269) 4.609 3.285 ( 0.407 -0.635 -4.986) 5.043 3.412 ( 1.368 -4.536 -4.895) 6.812 3.595 ( -0.878 -0.951 -1.426) 1.926 3.982 ( -1.585 -0.669 5.162) 5.441 4.091 ( -4.627 -0.015 5.396) 7.108 4.530 ( 6.181 -2.938 5.659) 8.881 4.654 ( -3.616 -2.643 3.682) 5.798 4.941 ( -0.356 -1.403 -0.490) 1.529 5.375 ( -11.361 -0.341 -3.389) 11.861 5.486 ( -4.489 -2.079 -7.339) 8.851 5.889 ( 15.295 -6.892 -1.698) 16.862 6.067 ( 3.687 -2.691 -10.793) 11.719 6.254 ( -2.377 -3.460 -7.997) 9.031 6.859 ( -0.875 -3.050 13.648) 14.012 7.110 ( 3.139 -4.890 4.014) 7.063 7.208 ( -0.928 -4.479 3.675) 5.867 7.488 ( -5.610 -2.343 -1.233) 6.204 7.895 ( 4.302 -1.573 0.049) 4.580 8.259 ( -2.132 -4.671 -6.994) 8.676 8.852 ( -5.541 -1.494 4.610) 7.361 9.236 ( 1.679 -5.019 -1.827) 5.599 9.863 ( 1.792 1.480 1.446) 2.738 10.473 ( 2.876 -1.820 11.929) 12.406 10.696 ( -0.787 2.644 2.638) 3.817 11.339 ( -2.842 -4.667 -3.197) 6.331 12.149 ( -1.033 6.855 -8.213) 10.747 12.883 ( -7.181 9.626 -3.257) 12.444 13.220 ( 3.785 -3.243 6.368) 8.087 13.462 ( 6.013 -6.024 2.320) 8.822 13.844 ( -0.579 11.195 -1.224) 11.277 14.295 ( 2.761 10.288 -2.358) 10.910 14.885 ( -3.283 2.972 -4.182) 6.091 15.600 ( 2.313 3.649 3.530) 5.579 15.902 ( 0.906 6.326 0.951) 6.461 17.699 ( 0.954 -0.276 -2.099) 2.322 18.206 ( -2.950 -5.777 -0.121) 6.488 18.604 ( -1.121 -2.233 1.875) 3.124 19.262 ( -1.841 -4.779 0.052) 5.122 19.989 ( 0.045 -1.614 -4.576) 4.852 21.638 ( 2.622 -3.251 1.150) 4.332 22.345 ( 3.167 -2.714 -0.278) 4.180 23.454 ( -1.384 -2.180 -0.529) 2.636 24.017 ( -0.028 -6.832 0.343) 6.840 24.494 ( -0.942 -5.586 -0.316) 5.674 24.872 ( -0.264 1.618 1.555) 2.259 ======================= Grid point 200 (70/231) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 1.477 7.738 5.174) 9.425 2.657 ( 1.837 7.680 7.570) 10.939 3.066 ( -1.401 3.722 -6.515) 7.633 3.268 ( -0.455 2.679 -6.393) 6.947 3.485 ( 0.575 -2.365 -1.502) 2.860 3.621 ( 1.146 -1.515 -2.544) 3.175 3.947 ( -4.061 2.668 3.330) 5.890 4.017 ( -4.848 3.420 8.463) 10.335 4.523 ( -6.134 5.839 3.927) 9.335 4.643 ( 5.122 1.976 6.662) 8.633 4.948 ( 1.235 1.213 -3.388) 3.804 5.254 ( -10.068 3.835 -1.681) 10.904 5.461 ( -3.976 1.663 -10.516) 11.365 5.977 ( -2.243 0.852 -9.228) 9.534 6.159 ( 14.922 2.527 -4.974) 15.931 6.297 ( 7.134 1.045 -1.287) 7.324 6.850 ( -3.050 2.825 13.391) 14.022 7.124 ( -1.147 4.437 4.104) 6.152 7.202 ( 3.259 5.297 -0.423) 6.234 7.422 ( -4.240 4.074 0.149) 5.881 8.014 ( 5.547 -5.004 -0.665) 7.500 8.296 ( -0.357 -0.219 -5.804) 5.819 8.811 ( -3.747 1.755 2.935) 5.073 9.289 ( 2.689 1.317 0.594) 3.052 9.775 ( -3.035 6.997 -0.652) 7.655 10.322 ( -3.509 11.829 13.179) 18.054 10.707 ( -1.579 -0.140 0.952) 1.849 11.484 ( -1.204 -10.029 0.445) 10.111 12.084 ( -0.673 -1.272 -13.119) 13.198 12.558 ( -14.115 14.552 1.415) 20.322 13.185 ( -0.594 -0.166 6.152) 6.183 13.628 ( 5.902 0.657 1.795) 6.204 14.017 ( 7.872 -24.730 -2.054) 26.034 14.249 ( 2.889 -2.805 -1.149) 4.187 14.875 ( -3.024 -4.398 -4.628) 7.065 15.591 ( 0.557 -1.619 3.076) 3.521 15.877 ( -0.313 -3.637 0.494) 3.684 17.682 ( -0.042 2.253 -1.750) 2.854 18.287 ( 2.073 -2.879 -0.144) 3.550 18.634 ( 0.831 -0.871 1.986) 2.323 19.308 ( 0.668 -0.509 -0.437) 0.946 19.987 ( -0.089 1.840 -4.245) 4.628 21.674 ( 4.568 2.301 1.223) 5.259 22.366 ( 4.564 3.439 -0.412) 5.730 23.410 ( -4.036 4.499 -0.563) 6.070 24.014 ( -0.888 6.896 0.191) 6.956 24.493 ( 0.465 5.309 -0.574) 5.360 24.832 ( -3.503 1.016 1.909) 4.117 ======================= Grid point 201 (71/231) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -1.858 15.983 5.772) 17.095 2.462 ( -2.219 11.759 8.257) 14.538 2.949 ( -0.030 7.898 -9.285) 12.190 3.160 ( -1.685 7.852 -11.244) 13.817 3.519 ( -0.766 -1.261 3.337) 3.649 3.642 ( 0.655 1.663 -0.727) 1.930 3.815 ( -5.605 5.696 3.434) 8.697 3.923 ( -1.408 3.740 10.364) 11.108 4.257 ( -9.691 14.807 6.686) 18.917 4.626 ( 8.187 5.518 7.501) 12.399 4.898 ( -0.723 4.337 -4.958) 6.626 5.111 ( -2.898 5.327 -4.927) 7.813 5.360 ( -4.398 5.247 -15.062) 16.545 5.889 ( -3.189 6.297 -11.301) 13.324 6.110 ( 8.569 11.236 -0.738) 14.150 6.295 ( 12.363 7.367 3.357) 14.778 6.712 ( -7.040 7.201 9.772) 14.032 6.936 ( -0.724 13.374 5.129) 14.342 7.089 ( 5.937 9.271 -2.219) 11.231 7.286 ( -2.679 6.778 0.315) 7.295 8.099 ( 1.994 3.135 -2.057) 4.247 8.278 ( 3.282 0.131 0.903) 3.406 8.763 ( -0.898 0.684 -2.336) 2.595 9.247 ( 5.060 4.990 1.495) 7.262 9.586 ( -7.816 6.605 -2.850) 10.623 10.089 ( -4.436 8.486 15.649) 18.346 10.634 ( -4.484 3.545 0.023) 5.716 11.663 ( -1.835 -8.363 1.316) 8.663 12.015 ( -12.796 9.367 -9.753) 18.617 12.355 ( 0.534 -6.619 1.434) 6.794 13.272 ( 0.230 -8.246 3.643) 9.018 13.709 ( 0.049 -6.662 0.482) 6.680 14.391 ( 3.947 -8.812 -1.921) 9.845 14.595 ( 6.660 -26.205 -1.636) 27.087 15.011 ( -2.795 -11.996 -3.023) 12.683 15.655 ( 0.053 -4.361 3.194) 5.405 16.039 ( -1.118 -13.110 -0.161) 13.158 17.610 ( -0.023 5.330 -0.667) 5.371 18.354 ( 4.290 -1.783 0.164) 4.649 18.648 ( 2.592 0.701 1.192) 2.938 19.296 ( 3.012 3.035 -0.559) 4.312 19.911 ( -0.467 6.072 -4.013) 7.293 21.617 ( 5.684 7.339 1.724) 9.441 22.286 ( 6.572 8.689 -0.997) 10.940 23.229 ( -6.006 10.217 -0.058) 11.852 23.745 ( -2.268 19.135 -0.334) 19.272 24.305 ( 2.498 14.899 -1.013) 15.141 24.783 ( -5.909 0.430 1.951) 6.238 ======================= Grid point 202 (72/231) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -6.495 21.679 7.045) 23.702 2.175 ( -3.554 15.988 9.073) 18.724 2.759 ( 0.936 11.813 -12.693) 17.365 2.938 ( -3.938 12.419 -16.785) 21.247 3.470 ( -2.968 8.079 12.825) 15.445 3.562 ( 0.259 2.360 1.283) 2.699 3.688 ( -3.728 7.325 7.064) 10.837 3.827 ( -5.166 18.515 12.207) 22.771 3.887 ( 0.911 2.470 5.043) 5.690 4.543 ( 6.827 8.902 8.085) 13.828 4.780 ( -2.960 6.130 -5.365) 8.667 4.991 ( 0.989 7.302 -11.820) 13.929 5.208 ( -2.178 7.174 -19.547) 20.936 5.651 ( -0.158 17.436 -14.076) 22.410 5.869 ( 4.507 18.119 7.521) 20.129 6.182 ( 6.045 10.966 3.510) 13.005 6.491 ( -6.291 10.589 5.452) 13.470 6.651 ( 1.098 14.248 7.153) 15.981 6.933 ( 6.141 11.274 -1.532) 12.929 7.162 ( -2.361 3.150 -1.391) 4.176 7.887 ( -0.715 15.965 4.230) 16.531 8.339 ( 5.028 1.293 -4.693) 6.998 8.802 ( 0.862 -6.303 -2.333) 6.776 9.194 ( 5.571 4.527 0.015) 7.179 9.474 ( -8.390 -1.883 -1.669) 8.759 9.944 ( -3.341 3.185 18.792) 19.350 10.597 ( -4.162 -5.242 1.470) 6.853 11.604 ( -14.601 6.241 -5.542) 16.818 11.937 ( -1.029 -8.398 1.484) 8.590 12.607 ( 2.287 -14.970 -2.426) 15.336 13.483 ( 0.219 -12.773 1.624) 12.877 13.858 ( -3.726 -9.594 -1.132) 10.354 14.603 ( 3.565 -9.934 -2.087) 10.758 15.072 ( 2.586 -18.345 -0.647) 18.537 15.314 ( -0.680 -20.595 -2.889) 20.808 15.756 ( 0.459 -5.791 3.418) 6.740 16.331 ( -1.254 -16.858 -0.205) 16.905 17.469 ( 0.766 9.583 1.085) 9.674 18.418 ( 4.552 -0.958 -0.166) 4.655 18.653 ( 3.106 0.393 0.195) 3.137 19.243 ( 5.559 5.361 -0.510) 7.740 19.727 ( -1.885 12.650 -3.155) 13.173 21.478 ( 5.341 11.090 2.965) 12.661 22.137 ( 9.513 12.435 -2.947) 15.932 22.929 ( -6.041 16.474 1.698) 17.629 23.273 ( -4.761 25.619 -1.141) 26.083 23.964 ( 5.430 22.913 -3.431) 23.797 24.737 ( -7.664 -0.984 2.315) 8.066 ======================= Grid point 203 (73/231) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -6.742 23.343 9.808) 26.202 1.788 ( -3.710 21.258 9.657) 23.641 2.521 ( 1.039 12.743 -16.816) 21.124 2.650 ( -4.080 13.096 -19.909) 24.177 3.165 ( -2.820 32.545 13.260) 35.256 3.279 ( -0.454 10.285 16.985) 19.861 3.562 ( -5.070 2.276 11.756) 13.003 3.628 ( 2.410 3.197 8.028) 8.971 3.899 ( 1.966 0.199 1.925) 2.758 4.385 ( 4.047 11.252 7.961) 14.365 4.608 ( -2.420 10.037 -9.113) 13.771 4.817 ( -0.326 10.985 -16.165) 19.547 5.065 ( 1.341 7.064 -21.262) 22.445 5.237 ( 2.292 24.106 -11.572) 26.838 5.501 ( -1.337 19.852 8.729) 21.727 5.982 ( 0.260 11.471 1.929) 11.635 6.204 ( -0.515 15.736 5.254) 16.598 6.453 ( 2.515 8.142 6.331) 10.616 6.769 ( 1.991 7.847 0.936) 8.150 7.134 ( -0.705 -0.937 -3.152) 3.363 7.547 ( -1.267 17.027 6.701) 18.342 8.238 ( 3.483 11.115 -9.086) 14.773 9.032 ( 1.395 -14.098 0.523) 14.177 9.160 ( 0.381 0.282 -0.688) 0.835 9.474 ( -5.811 -1.968 6.976) 9.290 9.984 ( 3.761 -8.786 20.169) 22.319 10.821 ( -3.109 -19.927 2.711) 20.350 11.455 ( -11.908 -2.520 -5.702) 13.441 12.132 ( -0.522 -11.430 0.920) 11.479 12.930 ( 1.948 -16.455 -3.526) 16.940 13.755 ( -0.108 -14.942 -0.047) 14.943 14.018 ( -4.905 -10.334 -3.251) 11.892 14.819 ( 3.294 -9.602 -0.503) 10.164 15.380 ( -0.031 -13.646 0.403) 13.652 15.730 ( 0.172 -20.651 -4.358) 21.107 15.882 ( 0.830 -6.627 3.734) 7.652 16.636 ( -1.088 -14.725 0.693) 14.781 17.249 ( 1.482 13.872 2.192) 14.122 18.415 ( 3.389 5.156 -1.475) 6.344 18.714 ( 2.961 -4.691 -0.515) 5.571 19.175 ( 6.641 7.068 -0.268) 9.702 19.374 ( -4.929 20.268 -0.817) 20.874 21.269 ( 2.258 13.572 4.947) 14.621 21.956 ( 12.338 14.217 -7.168) 20.143 22.462 ( -1.382 29.884 3.519) 30.122 22.767 ( -9.721 18.804 -0.936) 21.189 23.521 ( 8.410 27.290 -10.238) 30.337 24.715 ( -9.135 -3.176 3.556) 10.305 ======================= Grid point 204 (74/231) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 4.511 19.756 15.566) 25.552 1.309 ( -2.026 25.407 11.090) 27.796 2.289 ( -1.087 17.670 -8.304) 19.554 2.354 ( 1.529 19.128 -3.434) 19.494 2.507 ( -1.065 21.564 -8.318) 23.137 3.116 ( 1.354 7.430 17.495) 19.055 3.458 ( -4.810 3.266 17.823) 18.747 3.633 ( 1.615 -0.288 4.086) 4.403 3.874 ( 0.710 3.944 1.073) 4.149 4.187 ( 0.916 10.573 5.091) 11.770 4.350 ( -0.453 14.823 -14.103) 20.465 4.565 ( -0.757 13.575 -14.171) 19.638 4.793 ( 3.237 20.595 -12.448) 24.281 4.980 ( 1.297 4.447 -13.777) 14.535 5.143 ( -4.645 13.623 6.174) 15.661 5.769 ( -0.458 9.844 3.712) 10.531 5.911 ( 0.758 13.897 1.008) 13.954 6.334 ( 1.588 6.341 3.970) 7.648 6.684 ( 0.860 1.760 5.278) 5.630 7.157 ( -0.331 0.245 -1.424) 1.483 7.258 ( -0.770 9.791 3.976) 10.595 8.014 ( 1.195 12.431 -9.101) 15.453 9.095 ( -5.873 -0.540 7.434) 9.490 9.377 ( 0.246 -14.702 -0.144) 14.705 9.548 ( -2.916 -11.577 17.391) 21.094 10.328 ( 13.306 -19.604 27.721) 36.467 11.191 ( -7.854 -17.036 -1.815) 18.847 11.591 ( 0.750 -18.181 -0.916) 18.220 12.365 ( 0.355 -12.671 0.658) 12.693 13.260 ( 1.720 -15.877 -5.410) 16.861 14.050 ( -0.154 -15.351 -1.278) 15.405 14.199 ( -3.918 -11.967 -5.957) 13.930 15.019 ( 3.182 -8.374 1.804) 9.138 15.613 ( 1.702 -9.781 -0.431) 9.937 15.955 ( -3.442 -4.348 2.846) 6.233 16.142 ( 1.914 -17.803 -3.817) 18.308 16.820 ( -1.663 0.781 2.539) 3.134 17.017 ( 2.206 4.923 0.389) 5.409 18.248 ( 1.367 14.910 -1.269) 15.026 18.698 ( 3.870 27.873 1.290) 28.170 18.921 ( -7.918 -4.593 -0.216) 9.156 19.201 ( 1.083 -0.803 -0.919) 1.631 20.969 ( -5.234 16.665 4.926) 18.149 21.687 ( 8.692 30.964 -5.954) 32.708 21.897 ( 0.597 16.479 -3.385) 16.834 22.418 ( -5.094 11.807 0.413) 12.865 23.034 ( 10.822 30.687 -23.416) 40.089 24.723 ( -10.070 -4.608 6.047) 12.618 ======================= Grid point 207 (75/231) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 11.863 0.000 24.006) 26.778 1.171 ( 18.981 0.000 28.452) 34.202 1.947 ( 50.470 0.000 19.609) 54.146 2.253 ( 2.935 0.000 -21.494) 21.693 2.433 ( 9.841 0.000 -22.534) 24.589 3.013 ( 1.440 0.000 15.249) 15.317 3.228 ( -5.652 -0.000 13.740) 14.857 3.583 ( -2.359 -0.000 -6.678) 7.083 3.701 ( -3.692 -0.000 8.311) 9.094 3.873 ( -3.931 -0.000 2.139) 4.475 4.062 ( -1.112 -0.000 -14.192) 14.236 4.202 ( -3.609 -0.000 0.286) 3.620 4.215 ( -2.969 -0.000 -13.162) 13.493 4.794 ( -5.302 -0.000 8.830) 10.299 4.928 ( 0.427 0.000 -21.334) 21.338 5.577 ( -3.315 -0.000 -13.452) 13.854 5.687 ( 8.414 0.000 13.674) 16.055 6.024 ( -9.476 -0.000 10.814) 14.378 6.808 ( 2.932 0.000 3.064) 4.241 7.020 ( 3.243 0.000 6.407) 7.181 7.108 ( -10.896 -0.000 -4.394) 11.749 7.757 ( 1.671 0.000 -1.971) 2.584 8.986 ( -3.805 -0.000 26.481) 26.753 9.589 ( -10.012 -0.000 7.973) 12.798 9.771 ( -4.741 -0.000 3.248) 5.746 10.957 ( -5.589 -0.000 16.913) 17.813 11.886 ( -4.241 -0.000 6.816) 8.027 12.526 ( -1.656 -0.000 -12.827) 12.933 13.382 ( 8.639 0.000 8.979) 12.460 13.979 ( -0.014 -0.000 5.729) 5.729 14.101 ( 1.981 0.000 -13.056) 13.206 14.587 ( 1.973 0.000 -6.248) 6.552 15.069 ( -0.017 -0.000 -13.355) 13.355 15.152 ( -13.295 -0.000 29.273) 32.150 15.726 ( -9.510 -0.000 -12.529) 15.730 16.538 ( -7.959 -0.000 -1.226) 8.053 16.893 ( 7.288 0.000 5.091) 8.890 16.955 ( -0.438 -0.000 17.477) 17.482 17.519 ( 2.214 0.000 -3.130) 3.834 18.331 ( -0.036 -0.000 -17.703) 17.703 18.600 ( -4.741 -0.000 -8.933) 10.113 19.168 ( -0.049 -0.000 8.516) 8.517 20.156 ( -11.637 -0.000 -3.416) 12.128 20.532 ( 0.000 0.000 -0.697) 0.697 20.923 ( -4.762 -0.000 24.550) 25.007 21.756 ( -7.011 -0.000 -3.627) 7.894 23.146 ( 10.071 0.000 -14.535) 17.683 25.212 ( 23.207 0.000 -16.532) 28.493 ======================= Grid point 208 (76/231) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 15.238 -19.120 10.118) 26.460 1.536 ( 15.826 -18.074 21.513) 32.248 2.298 ( 10.669 -3.908 -17.753) 21.078 2.439 ( 37.773 -12.412 13.271) 41.917 2.526 ( 10.526 -2.706 -19.044) 21.927 3.071 ( 2.176 -4.809 14.931) 15.837 3.220 ( -2.515 -2.337 13.571) 13.998 3.558 ( -5.175 0.001 -1.699) 5.447 3.733 ( -3.320 -5.066 3.606) 7.049 3.904 ( -5.878 -5.713 2.833) 8.673 4.091 ( -8.963 -8.915 -0.549) 12.653 4.265 ( -0.054 -10.055 -11.019) 14.917 4.397 ( 2.574 -14.793 -14.764) 21.058 4.782 ( -6.394 -3.164 6.251) 9.485 4.985 ( 0.437 -6.205 -18.689) 19.697 5.590 ( -3.622 -4.044 -13.416) 14.473 5.823 ( 7.552 -7.281 12.058) 15.982 6.000 ( -8.215 -4.323 13.001) 15.975 6.805 ( 1.110 1.486 2.160) 2.847 7.006 ( -11.936 0.736 -3.270) 12.398 7.114 ( 3.253 -6.699 5.442) 9.223 7.822 ( 1.009 -5.165 -2.726) 5.927 8.981 ( 1.559 -1.463 18.570) 18.693 9.435 ( -7.759 8.026 5.337) 12.374 9.646 ( -4.008 8.855 3.491) 10.327 10.831 ( -3.533 8.883 12.655) 15.860 11.646 ( 5.069 19.869 3.216) 20.756 12.332 ( 3.884 16.329 -13.401) 21.478 13.217 ( 20.066 17.264 13.143) 29.554 13.723 ( 9.652 13.809 -9.761) 19.471 14.181 ( -5.841 8.255 -2.654) 10.455 14.500 ( 5.086 11.479 -4.110) 13.211 15.107 ( -5.430 -8.667 7.314) 12.573 15.415 ( -10.126 -17.703 5.504) 21.124 15.616 ( -9.907 0.948 -10.965) 14.808 16.468 ( -7.299 -0.076 -7.305) 10.327 16.757 ( 4.404 9.222 7.991) 12.973 17.117 ( 1.018 -4.039 9.990) 10.824 17.717 ( -5.642 -20.351 2.964) 21.325 18.060 ( -3.236 13.367 -2.671) 14.010 18.652 ( -9.948 0.198 -15.052) 18.043 19.243 ( 4.296 -2.998 4.832) 7.127 20.103 ( -12.103 -17.172 -5.982) 21.843 21.072 ( -9.031 -22.264 15.770) 28.739 21.127 ( 2.451 -34.997 0.798) 35.092 21.805 ( -7.931 -12.495 -2.860) 15.073 23.208 ( 4.420 -1.522 -7.944) 9.217 25.264 ( 16.764 8.286 -10.288) 21.343 ======================= Grid point 209 (77/231) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 15.015 -20.006 4.437) 25.404 1.967 ( 15.798 -13.334 12.096) 23.952 2.491 ( 7.644 -9.756 -17.631) 21.552 2.648 ( 6.819 -5.581 -15.495) 17.825 3.058 ( 22.782 -20.727 12.075) 33.083 3.203 ( 0.620 -6.998 15.199) 16.744 3.338 ( 8.507 -10.560 11.446) 17.745 3.533 ( -3.410 -1.799 2.835) 4.786 3.802 ( -3.726 -4.469 2.522) 6.342 3.978 ( -8.324 -7.080 4.053) 11.655 4.294 ( -4.562 -15.797 -2.352) 16.610 4.549 ( -1.367 -18.669 -9.717) 21.091 4.751 ( 1.202 -16.953 -11.150) 20.327 4.844 ( -4.771 -9.703 1.676) 10.942 5.164 ( 1.948 -10.747 -15.496) 18.959 5.675 ( -4.817 -7.996 -13.466) 16.385 6.053 ( -0.637 -12.080 11.377) 16.606 6.088 ( -0.818 -9.581 11.544) 15.024 6.780 ( -0.327 1.153 2.193) 2.499 6.934 ( -11.007 -2.592 -2.013) 11.486 7.320 ( 2.679 -11.921 4.096) 12.886 7.951 ( -0.327 -7.293 -2.915) 7.861 9.039 ( 1.135 -0.081 3.444) 3.628 9.193 ( -7.521 10.886 1.339) 13.299 9.464 ( -0.453 3.736 8.782) 9.555 10.592 ( -3.132 12.438 6.874) 14.552 11.312 ( 13.066 20.604 2.679) 24.544 12.041 ( 6.312 16.801 -9.567) 20.338 13.029 ( 18.635 18.192 9.765) 27.813 13.489 ( 11.291 18.231 -9.134) 23.309 13.928 ( -2.119 12.620 -1.809) 12.923 14.296 ( 7.349 13.185 -0.039) 15.095 14.999 ( -4.019 13.790 -0.518) 14.373 15.531 ( -6.647 2.781 -4.378) 8.431 15.652 ( -9.494 -10.428 5.605) 15.175 16.342 ( 5.872 13.818 -2.755) 15.264 16.719 ( -3.921 -4.583 -1.555) 6.229 17.137 ( 4.967 2.142 4.991) 7.360 17.806 ( -20.952 -1.043 1.437) 21.027 18.121 ( -11.082 -20.805 1.122) 23.599 18.552 ( -8.796 -0.422 -0.158) 8.807 19.376 ( 4.907 -8.417 -6.692) 11.820 20.523 ( -5.770 -27.022 -0.600) 27.638 21.394 ( -6.733 -18.459 7.948) 21.195 21.827 ( 0.421 -33.409 0.966) 33.426 22.204 ( -5.601 -32.869 -2.746) 33.455 23.294 ( -0.255 -6.565 -3.204) 7.309 25.187 ( 11.880 9.492 -4.435) 15.840 ======================= Grid point 210 (78/231) ======================= q-point: ( 0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 12.785 -15.105 4.170) 20.224 2.295 ( 15.220 -9.232 7.096) 19.163 2.749 ( 5.978 -10.471 -10.260) 15.833 2.842 ( 6.360 -9.722 -14.484) 18.568 3.254 ( -3.993 -4.765 9.378) 11.252 3.418 ( -4.652 -6.445 1.419) 8.074 3.638 ( 7.150 -10.785 10.377) 16.587 3.843 ( 14.167 -17.898 11.345) 25.490 3.865 ( 0.446 -9.077 1.236) 9.171 4.064 ( -6.677 -8.126 5.844) 12.032 4.579 ( 0.294 -13.855 -1.817) 13.977 4.887 ( -5.383 -16.086 -3.953) 17.418 4.974 ( -0.140 -14.005 -4.171) 14.613 5.157 ( 0.654 -16.370 -8.363) 18.394 5.399 ( 1.568 -12.261 -11.662) 16.994 5.826 ( -6.489 -11.676 -13.542) 19.021 6.270 ( -7.732 -15.659 9.879) 20.065 6.362 ( 5.790 -13.950 7.115) 16.696 6.770 ( -0.333 -0.797 3.825) 3.922 6.963 ( -8.264 -8.028 -0.230) 11.524 7.598 ( 1.229 -14.662 2.180) 14.874 8.068 ( -1.601 -4.422 -2.410) 5.284 8.882 ( -6.052 10.433 0.231) 12.063 9.008 ( -3.761 3.010 -0.931) 4.906 9.558 ( 3.491 -8.554 5.079) 10.543 10.359 ( -0.643 8.583 5.769) 10.361 11.050 ( 14.452 16.738 3.040) 22.322 11.782 ( 3.500 13.599 -4.313) 14.689 12.791 ( 10.742 16.864 3.423) 20.286 13.197 ( 12.226 19.825 -3.925) 23.620 13.683 ( 1.070 12.368 -1.414) 12.494 14.090 ( 5.982 13.918 0.069) 15.149 14.668 ( -4.982 14.838 -2.863) 15.911 15.317 ( -7.568 12.650 -4.783) 15.497 15.617 ( -2.836 10.468 2.141) 11.054 16.123 ( 10.774 13.951 5.983) 18.615 16.684 ( 1.962 9.369 -1.931) 9.765 17.209 ( -4.792 -11.176 -0.271) 12.163 17.797 ( -14.919 -9.879 0.627) 17.904 18.313 ( -14.447 -10.547 -2.756) 18.098 18.637 ( -7.676 -13.406 7.231) 17.057 19.603 ( 3.589 -10.549 -9.201) 14.451 20.958 ( -1.497 -20.174 2.600) 20.396 21.702 ( -1.805 -16.893 2.065) 17.114 22.486 ( -1.343 -34.465 2.486) 34.581 22.831 ( 0.555 -30.340 -3.484) 30.545 23.486 ( -4.951 -16.084 0.070) 16.829 25.090 ( 7.931 7.744 -1.692) 11.213 ======================= Grid point 211 (79/231) ======================= q-point: ( 0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 10.199 -9.006 4.196) 14.238 2.558 ( 13.368 -6.983 5.392) 16.017 2.959 ( 2.594 -7.881 -5.591) 10.005 3.085 ( 5.726 -9.672 -11.299) 15.937 3.290 ( -2.939 -1.805 3.028) 4.589 3.484 ( -5.059 -5.333 1.252) 7.456 3.860 ( 0.376 -6.225 5.770) 8.496 3.939 ( -3.815 -6.812 5.084) 9.316 4.227 ( 3.636 -10.999 6.643) 13.354 4.313 ( 5.283 -14.716 6.314) 16.863 4.781 ( -0.764 -7.090 1.088) 7.213 5.158 ( -3.097 -13.232 -5.680) 14.729 5.227 ( -4.453 -11.779 -5.617) 13.788 5.439 ( 8.906 -12.211 -4.300) 15.713 5.680 ( 2.288 -15.176 -8.200) 17.400 5.998 ( -7.166 -10.510 -12.199) 17.625 6.527 ( -6.375 -14.783 7.617) 17.810 6.688 ( 3.241 -15.308 3.640) 16.065 6.835 ( 1.482 -6.548 6.060) 9.045 7.119 ( -5.123 -12.469 0.629) 13.495 7.874 ( -1.195 -12.617 -0.846) 12.702 8.059 ( -1.168 3.507 -1.256) 3.904 8.725 ( -7.913 0.026 2.634) 8.340 8.992 ( -0.814 -3.574 -3.456) 5.038 9.740 ( 2.687 -6.941 2.018) 7.711 10.293 ( 3.502 -0.628 7.366) 8.181 10.883 ( 9.849 9.744 1.429) 13.928 11.553 ( -0.635 11.490 0.455) 11.516 12.540 ( -0.205 13.453 -2.379) 13.663 12.984 ( 14.303 9.513 0.826) 17.198 13.449 ( 2.709 13.649 -2.252) 14.096 13.822 ( -1.218 15.364 0.252) 15.414 14.389 ( 0.812 12.574 -2.464) 12.839 14.963 ( -6.203 17.745 -6.071) 19.753 15.301 ( -3.070 17.001 1.071) 17.309 15.935 ( 9.167 13.272 5.853) 17.159 16.434 ( 3.327 16.819 0.698) 17.159 17.462 ( -4.289 -16.121 -1.626) 16.761 17.874 ( -9.344 -6.834 0.544) 11.589 18.421 ( -8.087 -9.118 -2.206) 12.386 18.865 ( -6.763 -14.566 5.533) 16.986 19.803 ( 1.547 -7.903 -8.110) 11.429 21.290 ( 1.020 -14.478 2.644) 14.753 22.010 ( 2.152 -14.177 0.255) 14.341 23.060 ( 0.583 -22.430 1.299) 22.475 23.341 ( 0.625 -23.291 -2.002) 23.385 23.853 ( -5.414 -24.192 0.921) 24.808 25.006 ( 4.423 5.653 -0.260) 7.182 ======================= Grid point 212 (80/231) ======================= q-point: ( 0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 7.472 -2.932 4.216) 9.067 2.751 ( 11.020 -3.170 5.349) 12.653 3.076 ( -0.711 -3.275 -3.298) 4.701 3.249 ( 0.246 -3.634 -1.912) 4.114 3.332 ( 2.405 -4.563 -7.514) 9.114 3.544 ( -2.267 -3.435 -0.780) 4.189 3.927 ( -3.795 -3.222 3.490) 6.080 4.019 ( -4.817 -3.887 8.305) 10.358 4.468 ( 4.581 -7.765 4.072) 9.892 4.538 ( 1.377 -7.710 5.164) 9.381 4.880 ( -0.796 -4.407 0.146) 4.481 5.243 ( -12.298 -4.526 -1.244) 13.163 5.378 ( -2.966 -5.682 -12.140) 13.728 5.793 ( 10.127 -12.212 -2.270) 16.026 5.985 ( 9.338 -11.902 -6.025) 16.284 6.126 ( -1.450 -7.287 -7.312) 10.425 6.716 ( -6.507 -9.581 9.732) 15.127 6.954 ( 0.220 -10.966 5.867) 12.439 7.053 ( 2.502 -11.690 -0.283) 11.958 7.322 ( -4.078 -10.341 0.856) 11.149 7.929 ( 0.241 2.535 -2.359) 3.471 8.115 ( -0.602 -8.055 -2.885) 8.577 8.721 ( -9.211 -4.833 4.959) 11.523 9.119 ( 1.904 -7.939 -4.831) 9.486 9.860 ( 1.560 -3.500 2.948) 4.835 10.404 ( 5.389 -6.195 7.810) 11.332 10.794 ( 3.043 5.740 2.583) 6.991 11.341 ( -2.763 7.481 0.817) 8.017 12.281 ( -5.343 10.044 -3.869) 12.016 13.032 ( 7.488 1.173 -2.637) 8.025 13.216 ( 4.647 7.722 -0.368) 9.020 13.527 ( -4.474 10.725 2.127) 11.813 14.150 ( 4.935 15.394 -0.229) 16.167 14.583 ( -1.479 17.026 -6.464) 18.272 14.991 ( -4.098 11.108 -0.311) 11.844 15.757 ( 4.509 9.979 4.231) 11.739 16.131 ( 2.264 15.321 1.313) 15.543 17.676 ( 2.280 -4.943 -2.140) 5.849 17.976 ( -9.089 -11.999 0.185) 15.054 18.522 ( -2.722 -5.225 0.355) 5.902 19.082 ( -3.996 -11.472 2.432) 12.389 19.930 ( 0.518 -4.595 -6.519) 7.993 21.536 ( 2.868 -9.374 2.068) 10.019 22.262 ( 4.274 -8.927 -0.365) 9.904 23.345 ( -0.585 -8.542 0.015) 8.562 23.763 ( -0.556 -18.699 -0.023) 18.707 24.252 ( -2.449 -18.099 0.244) 18.265 24.932 ( 1.251 4.220 0.759) 4.467 ======================= Grid point 213 (81/231) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 4.408 2.930 4.753) 7.114 2.816 ( 7.418 4.345 6.205) 10.602 3.091 ( -1.475 -0.006 -4.376) 4.618 3.283 ( -0.542 -0.692 -2.144) 2.317 3.438 ( 1.997 -3.359 -6.160) 7.295 3.590 ( 0.289 -2.310 -2.654) 3.530 3.934 ( -5.103 -0.591 2.989) 5.944 4.023 ( -3.463 0.088 8.759) 9.419 4.519 ( -8.106 -0.280 2.461) 8.476 4.687 ( 8.328 -2.651 7.380) 11.439 4.950 ( 1.790 -2.205 -3.054) 4.171 5.211 ( -9.342 -0.882 -1.315) 9.475 5.419 ( -5.282 -2.126 -12.666) 13.887 5.934 ( -3.918 -2.545 -5.115) 6.927 6.226 ( 7.536 -4.274 -7.157) 11.237 6.336 ( 18.500 -6.819 2.823) 19.918 6.806 ( -6.983 -4.260 11.291) 13.942 7.107 ( -2.344 -4.686 4.644) 7.002 7.223 ( -0.964 -4.208 -3.107) 5.319 7.426 ( -0.182 -2.426 1.209) 2.717 7.957 ( 3.093 -3.662 -2.880) 5.592 8.234 ( -0.672 -4.916 -6.012) 7.795 8.746 ( -8.174 -3.730 6.540) 11.113 9.274 ( 2.980 -5.067 -3.475) 6.829 9.873 ( -0.383 3.231 3.027) 4.444 10.522 ( 3.530 4.214 10.278) 11.655 10.678 ( -1.675 1.906 3.967) 4.709 11.297 ( -2.605 -5.252 -1.623) 6.083 12.102 ( -4.669 4.180 -8.012) 10.172 12.779 ( -5.661 16.697 -3.534) 17.981 13.236 ( -0.133 4.484 7.383) 8.639 13.574 ( 6.718 -17.008 -1.203) 18.326 13.884 ( 4.964 13.029 1.134) 13.989 14.330 ( 1.872 8.583 -4.231) 9.751 14.833 ( -3.187 2.454 -2.933) 4.978 15.628 ( 1.201 5.066 2.807) 5.915 15.917 ( 1.006 7.299 1.091) 7.448 17.713 ( 0.866 0.817 -2.107) 2.420 18.166 ( -2.468 -10.195 -0.299) 10.494 18.590 ( -0.791 -3.324 2.004) 3.961 19.238 ( -1.269 -6.487 0.372) 6.621 19.990 ( 0.183 -1.435 -5.319) 5.512 21.691 ( 3.913 -3.873 1.772) 5.784 22.410 ( 5.109 -2.733 -0.654) 5.831 23.420 ( -2.938 -0.879 -0.255) 3.078 24.011 ( -0.719 -6.715 0.206) 6.757 24.482 ( -0.578 -6.568 -0.228) 6.597 24.858 ( -1.368 3.448 1.567) 4.027 ======================= Grid point 214 (82/231) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( 2.716 9.291 5.629) 11.198 2.684 ( 1.134 11.888 6.564) 13.627 3.062 ( 0.902 3.265 -6.432) 7.269 3.261 ( -0.326 3.049 -6.451) 7.143 3.484 ( -0.798 -1.318 -1.057) 1.868 3.640 ( 1.464 -1.978 -2.777) 3.710 3.866 ( -5.518 3.469 3.423) 7.362 3.979 ( -1.224 2.560 8.678) 9.130 4.398 ( -7.597 6.577 4.358) 10.953 4.748 ( 6.213 1.670 8.414) 10.591 4.962 ( -0.089 2.327 -4.218) 4.818 5.161 ( -1.890 1.327 -4.405) 4.973 5.384 ( -5.677 1.315 -15.205) 16.283 5.913 ( -4.541 0.859 -4.576) 6.504 6.301 ( 7.850 2.319 -2.090) 8.448 6.513 ( 16.427 2.874 3.731) 17.089 6.763 ( -8.578 3.071 10.208) 13.683 7.095 ( -3.201 3.560 2.800) 5.547 7.217 ( -1.090 2.949 -2.687) 4.136 7.418 ( 3.027 4.867 -0.342) 5.742 8.065 ( 1.652 -5.098 -3.344) 6.317 8.299 ( 0.565 -1.301 -3.797) 4.053 8.743 ( -4.456 -1.284 4.134) 6.213 9.339 ( 3.602 0.638 -0.403) 3.680 9.722 ( -3.943 10.281 0.420) 11.020 10.294 ( -0.630 14.007 13.563) 19.508 10.682 ( -1.628 2.010 0.834) 2.717 11.454 ( -2.418 -11.037 0.428) 11.307 12.045 ( -3.705 0.183 -14.723) 15.183 12.423 ( -4.124 13.602 4.191) 14.818 13.185 ( 0.239 -0.802 6.498) 6.551 13.687 ( 2.264 3.750 -0.444) 4.403 14.115 ( 5.047 -25.474 -0.013) 25.969 14.292 ( 2.346 -3.485 -2.248) 4.765 14.837 ( -1.653 -4.465 -3.805) 6.095 15.594 ( -0.337 -1.204 1.835) 2.220 15.876 ( 0.116 -2.819 0.521) 2.869 17.682 ( 0.009 2.578 -1.451) 2.958 18.308 ( 0.886 -5.208 -0.170) 5.286 18.644 ( 0.393 -2.232 2.023) 3.038 19.316 ( 0.423 -1.970 -0.643) 2.115 19.986 ( 0.068 2.000 -4.573) 4.992 21.741 ( 3.863 1.663 1.825) 4.585 22.444 ( 5.393 2.977 -0.962) 6.235 23.345 ( -4.357 5.684 -0.280) 7.167 23.998 ( -1.112 7.456 -0.061) 7.539 24.502 ( 0.814 4.258 -0.498) 4.363 24.781 ( -3.095 2.713 2.028) 4.588 ======================= Grid point 215 (83/231) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.787 20.012 6.348) 21.009 2.435 ( -1.450 12.739 7.823) 15.020 2.964 ( 1.729 7.851 -8.325) 11.573 3.137 ( -0.899 9.500 -14.139) 17.057 3.492 ( -2.721 -0.861 6.058) 6.697 3.651 ( 0.603 3.575 0.652) 3.683 3.756 ( -2.160 3.278 3.456) 5.230 3.916 ( 0.230 3.028 7.855) 8.422 4.154 ( -3.839 14.444 7.839) 16.877 4.721 ( 4.040 5.138 8.624) 10.822 4.871 ( -2.014 5.269 -3.646) 6.717 5.113 ( 0.717 4.367 -9.241) 10.246 5.297 ( -1.972 3.945 -18.823) 19.333 5.833 ( -3.165 4.992 -7.404) 9.474 6.226 ( 7.429 12.252 4.243) 14.944 6.460 ( 5.974 11.378 6.631) 14.461 6.594 ( -6.433 6.380 5.293) 10.493 6.924 ( -1.807 11.918 4.767) 12.962 7.132 ( 1.018 5.154 -4.945) 7.215 7.285 ( 1.678 9.854 -0.497) 10.008 8.118 ( 1.068 5.148 -1.035) 5.359 8.301 ( -0.985 -2.728 0.572) 2.956 8.758 ( 1.003 -1.476 -2.701) 3.237 9.331 ( 5.668 2.559 1.876) 6.495 9.469 ( -7.106 9.760 -2.296) 12.289 10.052 ( -0.950 9.826 16.029) 18.825 10.582 ( -2.460 4.614 0.169) 5.232 11.608 ( -4.622 -4.127 -1.802) 6.453 11.900 ( -2.442 8.115 -5.305) 9.998 12.380 ( 2.332 -8.716 0.278) 9.026 13.280 ( 0.517 -8.174 4.075) 9.148 13.699 ( -1.491 -4.242 -0.875) 4.581 14.419 ( 0.344 -10.170 -1.578) 10.297 14.685 ( 4.802 -25.263 -0.480) 25.719 14.979 ( -1.145 -11.577 -3.172) 12.058 15.652 ( -0.742 -4.700 2.120) 5.209 16.029 ( -0.196 -12.540 -0.274) 12.545 17.610 ( 0.016 5.065 -0.055) 5.065 18.392 ( 1.140 -2.988 0.278) 3.210 18.676 ( 0.993 -0.470 0.726) 1.317 19.326 ( 1.093 1.330 -0.994) 1.988 19.905 ( -0.183 6.613 -3.874) 7.666 21.682 ( 2.446 6.793 2.250) 7.562 22.381 ( 4.985 7.295 -1.700) 8.998 23.147 ( -4.156 11.180 0.094) 11.928 23.716 ( -1.309 20.114 -0.342) 20.159 24.341 ( 2.251 13.280 -1.322) 13.534 24.710 ( -3.501 2.027 2.332) 4.670 ======================= Grid point 216 (84/231) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 1.608 24.275 8.343) 25.719 2.145 ( -0.534 16.915 8.818) 19.083 2.783 ( 1.940 11.995 -11.620) 16.813 2.893 ( -1.036 13.787 -19.601) 23.987 3.447 ( -0.696 5.760 15.073) 16.151 3.556 ( -1.302 2.884 2.834) 4.248 3.654 ( 0.202 11.503 6.478) 13.203 3.788 ( -0.803 16.518 10.657) 19.674 3.907 ( 1.332 0.433 5.011) 5.203 4.607 ( 1.187 8.717 8.888) 12.506 4.746 ( -0.793 6.542 -4.896) 8.209 4.984 ( -2.224 7.653 -14.509) 16.554 5.208 ( 3.005 5.972 -20.416) 21.482 5.632 ( -1.619 14.810 -14.360) 20.692 5.922 ( 1.943 21.937 9.165) 23.854 6.214 ( -2.419 12.562 9.870) 16.158 6.446 ( 0.437 9.059 0.565) 9.088 6.657 ( -0.209 12.670 7.858) 14.910 6.994 ( 1.907 11.562 -4.073) 12.406 7.139 ( -0.517 3.190 -1.141) 3.427 7.878 ( -0.499 16.661 5.188) 17.458 8.369 ( -1.063 -0.686 -5.485) 5.629 8.822 ( 2.104 -5.700 -2.647) 6.627 9.255 ( -0.386 7.044 -2.720) 7.561 9.382 ( -0.585 -3.125 2.289) 3.917 9.934 ( 1.655 1.455 19.697) 19.820 10.554 ( -1.898 -5.080 0.967) 5.509 11.477 ( -2.130 8.125 -5.441) 10.008 11.938 ( 1.283 -8.390 0.795) 8.525 12.641 ( 2.392 -14.724 -1.739) 15.018 13.486 ( -0.058 -12.434 1.666) 12.545 13.807 ( -3.069 -8.254 -2.448) 9.140 14.631 ( 0.316 -11.111 -1.073) 11.167 15.111 ( 3.204 -15.391 0.134) 15.721 15.306 ( -0.603 -22.255 -3.336) 22.512 15.755 ( -0.907 -6.366 2.893) 7.051 16.321 ( -0.108 -16.538 -0.337) 16.542 17.477 ( 0.248 9.015 1.749) 9.187 18.442 ( -0.938 -1.585 -0.334) 1.871 18.683 ( 0.716 -0.252 -0.324) 0.826 19.283 ( -0.364 3.518 -0.985) 3.671 19.709 ( -0.227 13.901 -2.662) 14.155 21.516 ( -0.586 11.048 3.114) 11.493 22.238 ( 2.040 10.115 -3.308) 10.836 22.863 ( -1.428 15.951 1.362) 16.073 23.230 ( -0.857 28.273 -1.037) 28.305 24.030 ( 3.287 20.575 -3.655) 21.154 24.659 ( -2.182 0.857 2.769) 3.628 ======================= Grid point 217 (85/231) ======================= q-point: (-0.08 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 11.595 22.328 11.171) 27.527 1.772 ( 1.492 21.844 9.293) 23.785 2.540 ( 1.633 13.464 -17.473) 22.119 2.631 ( 2.235 12.738 -20.536) 24.268 3.172 ( 3.609 33.477 14.816) 36.786 3.297 ( 2.159 9.471 17.243) 19.791 3.490 ( -4.848 3.155 11.171) 12.580 3.648 ( 0.059 1.957 6.597) 6.882 3.916 ( 0.287 0.578 2.477) 2.559 4.406 ( -1.956 11.296 8.556) 14.304 4.592 ( 0.673 9.845 -8.758) 13.194 4.796 ( -1.439 10.578 -16.805) 19.909 5.094 ( 2.517 7.631 -20.450) 21.972 5.251 ( -0.435 21.824 -14.679) 26.304 5.468 ( -3.206 22.519 9.944) 24.825 5.972 ( -1.165 11.363 3.614) 11.981 6.203 ( 0.035 14.834 4.452) 15.487 6.480 ( 0.910 7.844 6.550) 10.260 6.784 ( -0.159 8.288 1.450) 8.415 7.125 ( -0.449 -0.988 -3.572) 3.733 7.538 ( 0.008 17.044 6.493) 18.239 8.248 ( -2.044 10.484 -9.005) 13.971 9.027 ( -1.859 -11.268 0.699) 11.442 9.169 ( 0.408 -0.211 -1.531) 1.599 9.412 ( -1.894 -1.075 8.415) 8.692 10.089 ( 9.652 -13.212 22.074) 27.477 10.764 ( -4.497 -17.572 0.014) 18.139 11.432 ( 7.840 -3.264 -6.016) 10.407 12.151 ( 3.692 -11.405 1.239) 12.052 12.961 ( 2.474 -16.271 -2.972) 16.724 13.746 ( -1.238 -14.660 -0.302) 14.715 13.965 ( -2.099 -10.036 -4.092) 11.039 14.846 ( 0.296 -10.748 0.127) 10.753 15.405 ( 3.364 -13.021 -0.224) 13.451 15.719 ( -1.480 -18.632 -2.304) 18.832 15.886 ( -0.289 -8.702 2.535) 9.069 16.628 ( -0.026 -14.283 0.517) 14.292 17.260 ( 0.064 13.337 2.400) 13.552 18.407 ( -4.257 3.787 -1.580) 5.912 18.726 ( -1.874 -4.764 -0.460) 5.140 19.143 ( -9.230 11.105 -0.761) 14.460 19.382 ( 4.737 17.840 -0.682) 18.471 21.243 ( -5.749 15.201 3.827) 16.696 22.018 ( -4.713 11.309 -5.718) 13.521 22.454 ( 0.529 29.416 4.528) 29.767 22.708 ( 1.980 21.569 -3.239) 21.901 23.613 ( 3.667 24.218 -8.865) 26.049 24.656 ( 1.948 -0.852 3.178) 3.824 ======================= Grid point 221 (86/231) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 12.449 0.000 19.613) 23.231 1.470 ( 20.852 0.000 21.966) 30.287 2.303 ( 4.281 0.000 -20.433) 20.876 2.572 ( 10.192 0.000 -15.576) 18.615 2.694 ( 47.637 0.000 8.491) 48.387 3.037 ( 1.587 0.000 14.250) 14.338 3.194 ( 2.048 0.000 12.194) 12.365 3.544 ( -2.763 -0.000 -7.018) 7.542 3.618 ( -7.837 -0.000 4.234) 8.907 3.807 ( -5.041 -0.000 2.235) 5.514 3.912 ( -13.030 -0.000 5.572) 14.171 4.140 ( -4.851 -0.000 0.145) 4.853 4.310 ( 10.759 0.000 -25.404) 27.589 4.704 ( -6.887 -0.000 9.829) 12.002 4.899 ( -4.168 -0.000 -21.608) 22.006 5.526 ( -3.187 -0.000 -13.520) 13.890 5.801 ( 4.450 0.000 10.795) 11.676 5.919 ( -2.520 -0.000 13.856) 14.083 6.812 ( -4.091 -0.000 -0.461) 4.117 6.927 ( -11.875 -0.000 -1.703) 11.997 7.072 ( 3.518 0.000 6.412) 7.313 7.784 ( 1.968 0.000 -2.217) 2.965 8.982 ( 1.629 0.000 22.154) 22.214 9.462 ( -7.422 -0.000 4.699) 8.785 9.705 ( -4.877 -0.000 2.529) 5.493 10.893 ( -4.305 -0.000 9.400) 10.339 11.869 ( 1.032 0.000 2.161) 2.395 12.529 ( 2.486 0.000 -12.189) 12.440 13.526 ( 10.037 0.000 7.513) 12.537 13.980 ( -0.030 -0.000 5.764) 5.764 14.123 ( 1.417 0.000 -12.648) 12.727 14.580 ( -2.096 -0.000 -3.065) 3.713 15.035 ( -4.086 -0.000 22.001) 22.377 15.066 ( -0.040 -0.000 -13.381) 13.381 15.615 ( -5.373 -0.000 -12.284) 13.407 16.383 ( -12.237 -0.000 -1.379) 12.314 16.951 ( -0.439 -0.000 17.456) 17.462 16.958 ( 1.852 0.000 10.890) 11.046 17.555 ( 2.688 0.000 -0.413) 2.720 18.327 ( -0.122 -0.000 -17.585) 17.586 18.560 ( -0.608 -0.000 -16.300) 16.311 19.169 ( -0.047 -0.000 8.407) 8.408 20.002 ( -9.661 -0.000 -1.914) 9.849 20.532 ( 0.007 0.000 -0.687) 0.687 20.900 ( 0.195 0.000 18.300) 18.301 21.637 ( -8.828 -0.000 -1.510) 8.956 23.227 ( 2.877 0.000 -6.635) 7.232 25.456 ( 11.126 0.000 -11.377) 15.914 ======================= Grid point 222 (87/231) ======================= q-point: ( 0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 13.309 -21.177 8.117) 26.296 1.772 ( 16.246 -13.994 18.692) 28.446 2.386 ( 5.485 -5.507 -18.553) 20.115 2.639 ( 7.286 -0.985 -13.415) 15.298 3.034 ( 25.231 -3.352 6.730) 26.327 3.106 ( 6.101 -4.984 11.938) 14.303 3.272 ( 12.856 -3.415 12.839) 18.488 3.478 ( -3.133 -0.396 -2.056) 3.769 3.675 ( -4.454 -6.080 0.422) 7.549 3.810 ( -6.199 -4.215 6.165) 9.706 3.958 ( -8.003 -12.877 1.631) 15.249 4.216 ( -4.906 -11.678 -1.437) 12.749 4.496 ( 8.843 -10.931 -21.105) 25.360 4.687 ( -6.454 -3.624 8.147) 11.007 4.954 ( -4.129 -9.115 -18.716) 21.223 5.537 ( -2.944 -3.533 -13.064) 13.850 5.858 ( -4.638 -5.230 11.565) 13.513 5.978 ( 6.259 -4.766 10.001) 12.724 6.750 ( -11.790 -0.495 -1.613) 11.910 6.849 ( -5.805 0.882 0.924) 5.944 7.162 ( 2.979 -6.419 5.543) 8.989 7.841 ( 1.516 -4.250 -2.438) 5.129 9.019 ( 2.826 -2.126 13.455) 13.912 9.331 ( -6.304 7.828 2.834) 10.442 9.582 ( -4.763 7.726 4.701) 10.222 10.773 ( -4.485 8.478 4.641) 10.655 11.731 ( 5.985 13.923 1.579) 15.237 12.402 ( 6.048 13.892 -10.151) 18.238 13.449 ( 10.903 12.707 8.819) 18.924 13.877 ( 11.157 10.986 -9.310) 18.217 14.113 ( -2.995 6.365 -1.733) 7.245 14.571 ( 4.575 6.239 -1.922) 7.972 15.000 ( -8.165 -11.703 13.521) 19.658 15.306 ( -5.564 -9.190 0.726) 10.767 15.510 ( -3.932 2.573 -14.252) 15.006 16.333 ( -10.606 -6.875 -6.918) 14.409 16.794 ( 0.692 11.810 10.595) 15.881 17.143 ( 2.240 -8.178 11.698) 14.448 17.621 ( -6.947 -8.336 6.000) 12.400 18.038 ( -0.102 19.468 -10.177) 21.968 18.565 ( -2.361 2.742 -13.772) 14.239 19.290 ( 1.769 -3.399 3.224) 5.008 19.953 ( -8.263 -19.976 -4.319) 22.045 20.989 ( -3.441 -20.087 12.539) 23.928 21.160 ( 1.817 -33.930 1.237) 34.001 21.681 ( -8.548 -12.834 -0.220) 15.422 23.243 ( 1.106 -0.540 -4.576) 4.739 25.440 ( 7.973 7.668 -6.990) 13.086 ======================= Grid point 223 (88/231) ======================= q-point: ( 0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 14.315 -19.477 1.409) 24.213 2.162 ( 11.440 -14.447 11.027) 21.475 2.588 ( 5.764 -10.288 -11.655) 16.581 2.744 ( 7.003 -5.216 -11.179) 14.185 3.133 ( -2.661 -3.931 9.491) 10.612 3.275 ( -0.901 -4.816 0.092) 4.901 3.476 ( 5.458 -10.228 9.638) 15.076 3.670 ( 19.845 -11.328 5.396) 23.479 3.736 ( -3.877 -4.310 1.289) 5.939 3.877 ( -3.519 -6.554 9.473) 12.045 4.255 ( 0.317 -19.323 -3.299) 19.605 4.484 ( -5.212 -17.922 -1.513) 18.726 4.758 ( -3.182 -8.688 3.953) 10.061 4.835 ( 4.974 -17.059 -11.889) 21.380 5.163 ( -1.509 -13.576 -16.655) 21.540 5.613 ( -2.567 -6.390 -10.909) 12.901 5.955 ( -7.202 -9.963 10.672) 16.280 6.171 ( 5.107 -10.030 4.393) 12.082 6.702 ( -11.030 -3.865 -0.764) 11.713 6.812 ( -3.855 -1.023 3.121) 5.064 7.355 ( 1.933 -11.291 4.086) 12.162 7.955 ( 0.739 -6.116 -2.290) 6.572 9.047 ( -0.521 4.050 0.487) 4.112 9.087 ( -6.316 11.050 0.301) 12.732 9.460 ( -0.350 -1.080 9.512) 9.579 10.542 ( -3.465 11.110 1.538) 11.739 11.486 ( 10.044 16.968 2.718) 19.904 12.135 ( 6.899 17.780 -5.183) 19.763 13.201 ( 4.570 18.423 5.042) 19.639 13.692 ( 15.132 18.033 -7.799) 24.799 13.923 ( 1.846 11.670 -1.504) 11.910 14.409 ( 7.169 13.374 2.717) 15.415 14.946 ( -2.047 14.809 -0.912) 14.977 15.434 ( -6.358 0.506 -2.081) 6.709 15.516 ( -8.672 -14.201 1.450) 16.702 16.409 ( 3.070 7.407 1.317) 8.125 16.660 ( -3.814 -7.046 -4.740) 9.309 17.199 ( 1.782 3.011 7.659) 8.421 17.551 ( -11.609 5.466 -2.400) 13.054 17.970 ( -9.755 -14.032 0.736) 17.105 18.452 ( -5.039 1.272 2.767) 5.888 19.425 ( 2.037 -9.940 -10.757) 14.787 20.471 ( -1.601 -29.490 1.617) 29.577 21.329 ( -2.746 -19.334 7.772) 21.017 21.815 ( -2.212 -30.848 1.231) 30.952 22.133 ( -3.642 -37.443 -1.188) 37.638 23.283 ( -1.149 -4.162 -2.519) 4.999 25.317 ( 6.188 9.550 -3.342) 11.861 ======================= Grid point 224 (89/231) ======================= q-point: ( 0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 12.496 -13.138 1.350) 18.182 2.489 ( 11.059 -10.629 4.663) 16.032 2.817 ( 3.738 -9.147 -4.657) 10.924 2.945 ( 7.311 -9.215 -9.076) 14.858 3.201 ( -3.243 -4.835 4.578) 7.406 3.329 ( -6.447 -5.576 -0.185) 8.526 3.705 ( -2.667 -8.611 5.105) 10.359 3.790 ( -2.336 -5.809 3.707) 7.276 4.018 ( 4.612 -13.169 5.108) 14.859 4.088 ( 8.779 -13.007 9.665) 18.429 4.605 ( 1.594 -12.127 -0.471) 12.240 4.792 ( -6.292 -18.202 -3.917) 19.653 4.973 ( 2.901 -14.133 0.989) 14.461 5.210 ( 3.397 -17.100 -8.366) 19.338 5.421 ( 2.124 -13.302 -11.603) 17.779 5.750 ( -1.951 -9.772 -7.097) 12.234 6.151 ( -8.835 -15.720 6.342) 19.116 6.427 ( 1.401 -13.854 -0.115) 13.925 6.733 ( -4.972 -4.750 0.366) 6.886 6.869 ( -2.870 -8.375 5.628) 10.491 7.610 ( 0.323 -13.521 2.006) 13.673 8.060 ( 0.238 -3.392 -1.836) 3.865 8.781 ( -7.095 11.210 1.056) 13.308 8.969 ( -1.790 2.470 -2.095) 3.700 9.598 ( 1.946 -9.077 3.986) 10.103 10.349 ( -0.720 5.745 2.869) 6.462 11.228 ( 9.480 16.751 2.898) 19.464 11.837 ( 4.268 16.689 0.496) 17.233 12.848 ( -1.367 18.281 -0.374) 18.335 13.401 ( 13.862 21.231 -1.505) 25.400 13.720 ( 3.762 11.474 -2.497) 12.330 14.139 ( -0.488 17.658 0.710) 17.679 14.659 ( 4.913 13.585 -2.080) 14.595 15.209 ( -7.058 13.017 -5.923) 15.948 15.579 ( -2.127 9.756 2.047) 10.193 16.272 ( 8.954 10.205 8.337) 15.932 16.711 ( 1.412 4.576 -4.307) 6.441 17.088 ( -10.948 -3.979 0.698) 11.670 17.671 ( -2.311 -15.390 -0.506) 15.571 18.090 ( -15.523 -11.040 -4.126) 19.490 18.555 ( -3.881 -12.598 9.555) 16.281 19.642 ( 1.921 -10.000 -11.579) 15.420 20.960 ( 1.239 -20.914 3.900) 21.311 21.696 ( 0.575 -19.078 2.348) 19.231 22.453 ( -2.948 -36.234 2.323) 36.428 22.840 ( 0.829 -32.801 -2.090) 32.878 23.418 ( -4.289 -13.209 -0.494) 13.897 25.178 ( 4.211 8.503 -1.334) 9.582 ======================= Grid point 225 (90/231) ======================= q-point: ( 0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 9.724 -7.134 2.175) 12.255 2.734 ( 9.800 -6.864 2.612) 12.246 2.989 ( 1.657 -6.028 -1.787) 6.502 3.149 ( 1.728 -6.906 0.351) 7.127 3.265 ( 0.805 -4.106 -7.256) 8.375 3.422 ( -3.144 -6.968 -0.467) 7.659 3.789 ( -8.176 -6.376 1.535) 10.481 3.899 ( -1.452 -5.470 10.326) 11.775 4.303 ( 1.204 -10.481 2.817) 10.920 4.388 ( 8.859 -12.392 7.300) 16.891 4.765 ( -1.154 -6.616 0.527) 6.736 5.006 ( -11.508 -10.611 -2.542) 15.858 5.241 ( 0.947 -7.711 -11.735) 14.073 5.571 ( 6.110 -17.047 -3.906) 18.525 5.739 ( 4.606 -16.697 -1.552) 17.390 5.969 ( 7.097 -11.355 -4.878) 14.251 6.391 ( -11.800 -15.702 4.281) 20.103 6.719 ( -0.997 -15.025 -1.312) 15.115 6.827 ( -2.861 -8.919 2.791) 9.774 7.078 ( 0.850 -12.555 3.706) 13.118 7.847 ( -2.288 -10.254 -1.875) 10.673 8.072 ( 2.597 1.763 -1.094) 3.324 8.599 ( -8.748 1.120 4.165) 9.754 8.990 ( 0.352 -5.261 -4.202) 6.743 9.765 ( 0.803 -6.649 2.091) 7.017 10.337 ( 2.346 -3.375 4.342) 5.979 10.997 ( 5.728 12.365 2.238) 13.810 11.555 ( 1.033 14.444 4.391) 15.132 12.491 ( -5.187 15.678 -2.515) 16.704 13.169 ( 10.064 9.952 0.877) 14.181 13.505 ( 4.755 14.516 -4.718) 15.987 13.762 ( -5.754 16.898 1.135) 17.887 14.469 ( 8.509 12.734 -1.893) 15.432 14.879 ( -5.114 15.408 -6.880) 17.632 15.252 ( -3.343 17.932 1.460) 18.300 16.056 ( 6.670 16.292 5.170) 18.348 16.483 ( 3.248 17.565 1.259) 17.907 17.357 ( -8.752 -25.047 -0.703) 26.542 17.805 ( -1.063 -1.249 -0.650) 1.765 18.302 ( -7.432 -16.046 -4.404) 18.224 18.791 ( -3.507 -14.122 8.185) 16.696 19.820 ( 1.021 -7.264 -9.638) 12.112 21.318 ( 2.218 -15.074 3.654) 15.668 22.053 ( 3.135 -15.592 0.171) 15.905 23.063 ( 0.076 -23.922 1.640) 23.978 23.341 ( -0.613 -21.330 -1.631) 21.401 23.783 ( -3.972 -25.911 0.406) 26.217 25.052 ( 2.032 6.819 -0.095) 7.116 ======================= Grid point 226 (91/231) ======================= q-point: ( 0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 5.756 -0.782 3.399) 6.730 2.898 ( 8.073 -2.674 2.893) 8.983 3.057 ( -1.865 -1.631 -0.853) 2.620 3.236 ( -1.355 -3.385 1.655) 4.004 3.383 ( 3.899 -4.511 -9.650) 11.343 3.525 ( -0.304 -4.701 -2.830) 5.496 3.845 ( -6.258 -4.505 2.886) 8.234 3.972 ( -1.899 -3.149 10.363) 10.997 4.422 ( -4.957 -4.273 2.475) 6.997 4.659 ( 8.957 -7.103 7.558) 13.704 4.889 ( 2.617 -5.731 -3.222) 7.077 5.076 ( -10.098 -5.783 -0.951) 11.676 5.321 ( -4.129 -3.556 -14.783) 15.756 5.814 ( -3.291 -7.428 -1.967) 8.359 6.109 ( 8.099 -13.478 -3.733) 16.161 6.299 ( 19.970 -11.540 1.388) 23.106 6.572 ( -12.690 -12.300 6.752) 18.919 6.931 ( -6.076 -10.028 0.990) 11.767 7.042 ( -1.478 -12.048 0.804) 12.165 7.317 ( 2.872 -9.632 1.027) 10.103 7.922 ( -1.478 -1.481 -5.828) 6.192 8.135 ( 3.470 -4.959 -1.991) 6.371 8.584 ( -8.936 -5.189 7.158) 12.571 9.147 ( 1.801 -8.946 -5.351) 10.579 9.869 ( -0.221 -3.368 3.805) 5.086 10.469 ( 3.131 -7.096 4.418) 8.926 10.827 ( 1.649 9.247 5.143) 10.709 11.316 ( -0.680 8.801 2.897) 9.290 12.194 ( -5.670 10.100 -3.057) 11.979 13.085 ( 1.325 12.832 -5.387) 13.980 13.297 ( 4.708 2.614 -1.072) 5.491 13.477 ( -1.534 7.367 4.345) 8.690 14.235 ( 4.422 16.777 -1.006) 17.379 14.569 ( 0.196 14.156 -7.778) 16.153 14.934 ( -3.118 10.782 1.295) 11.298 15.805 ( 1.781 12.062 3.321) 12.637 16.162 ( 1.645 16.126 1.716) 16.300 17.712 ( 2.580 -6.130 -1.948) 6.930 17.858 ( -6.859 -14.088 -0.480) 15.677 18.491 ( -1.435 -6.968 -0.047) 7.115 19.039 ( -1.898 -12.648 3.598) 13.286 19.936 ( 0.491 -4.273 -7.505) 8.650 21.579 ( 2.380 -10.013 2.879) 10.687 22.326 ( 3.862 -9.583 -0.700) 10.356 23.332 ( -0.890 -6.930 0.353) 6.996 23.749 ( -1.160 -19.171 -0.109) 19.206 24.224 ( -1.324 -19.340 0.130) 19.385 24.942 ( 0.211 5.495 0.857) 5.565 ======================= Grid point 227 (92/231) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 2.117 4.074 5.077) 6.845 2.896 ( 2.372 7.334 4.200) 8.779 3.083 ( 0.593 -1.646 -3.915) 4.288 3.272 ( -0.749 -1.038 -0.601) 1.414 3.461 ( 1.174 -1.485 -6.693) 6.955 3.600 ( 0.922 -3.005 -3.237) 4.513 3.861 ( -3.744 -0.717 3.316) 5.052 3.995 ( -0.971 -0.289 9.068) 9.125 4.422 ( -3.602 0.686 3.325) 4.950 4.788 ( 4.551 -1.676 8.377) 9.680 4.978 ( 0.519 -0.845 -3.586) 3.721 5.119 ( -3.034 -4.075 -3.645) 6.253 5.341 ( -3.259 -1.674 -15.775) 16.195 5.875 ( -2.808 -2.076 -1.575) 3.831 6.332 ( 7.128 -4.453 -1.704) 8.576 6.616 ( 15.061 -5.120 4.058) 16.416 6.673 ( -9.206 -5.861 8.463) 13.811 7.028 ( -8.177 -5.490 -1.478) 9.959 7.201 ( 0.329 -4.465 2.198) 4.988 7.464 ( 2.847 -2.807 -1.372) 4.227 7.972 ( -0.597 -4.477 -6.234) 7.698 8.245 ( 2.043 -4.049 -5.138) 6.853 8.640 ( -5.491 -5.431 8.758) 11.677 9.313 ( 2.201 -5.654 -4.147) 7.349 9.858 ( -1.528 4.555 4.012) 6.259 10.578 ( 3.686 10.105 9.446) 14.315 10.651 ( -2.108 -1.329 4.946) 5.538 11.270 ( -0.740 -4.535 -0.649) 4.641 12.033 ( -3.843 2.789 -7.987) 9.292 12.732 ( -0.495 19.008 -3.510) 19.335 13.237 ( 0.238 5.344 7.320) 9.066 13.646 ( 3.398 -17.903 -1.177) 18.261 13.936 ( 0.535 12.869 0.379) 12.886 14.346 ( 0.405 8.118 -5.345) 9.729 14.805 ( -0.126 1.878 -1.341) 2.311 15.633 ( -0.536 5.832 1.748) 6.112 15.929 ( 0.510 7.872 1.294) 7.994 17.721 ( 0.286 1.606 -2.082) 2.645 18.138 ( -1.190 -12.966 -0.561) 13.032 18.583 ( -0.214 -3.825 2.170) 4.403 19.228 ( -0.173 -7.334 0.668) 7.366 19.993 ( 0.261 -1.307 -5.855) 6.005 21.735 ( 1.590 -4.412 2.350) 5.246 22.474 ( 2.966 -3.184 -1.080) 4.484 23.382 ( -1.762 0.331 0.022) 1.793 24.000 ( -0.648 -6.697 -0.033) 6.728 24.478 ( -0.080 -7.282 -0.071) 7.283 24.841 ( -0.674 4.681 1.591) 4.990 ======================= Grid point 228 (93/231) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 1.114 8.699 6.648) 11.004 2.684 ( -1.364 14.175 4.749) 15.012 3.080 ( 1.265 3.100 -5.723) 6.630 3.261 ( 0.620 2.793 -6.755) 7.336 3.462 ( -2.014 0.310 -1.038) 2.287 3.658 ( 0.881 -2.197 -2.157) 3.202 3.818 ( -0.531 3.296 3.859) 5.103 3.974 ( 0.289 2.094 7.906) 8.184 4.343 ( 0.442 6.640 5.383) 8.560 4.809 ( 1.753 1.871 8.390) 8.773 4.943 ( -1.559 3.109 -3.399) 4.863 5.147 ( -2.791 0.005 -6.839) 7.387 5.345 ( 2.930 0.905 -16.281) 16.567 5.869 ( -0.931 1.114 -3.905) 4.166 6.402 ( 4.030 1.450 2.915) 5.181 6.619 ( -7.578 4.599 7.179) 11.407 6.697 ( 4.724 4.271 5.012) 8.104 7.032 ( -3.628 1.428 -0.773) 3.975 7.223 ( 2.334 2.782 0.180) 3.636 7.455 ( 1.019 5.129 -2.253) 5.694 8.070 ( -0.912 -6.067 -4.521) 7.621 8.298 ( -0.673 0.207 -2.890) 2.975 8.711 ( 0.609 -3.991 4.610) 6.128 9.378 ( 1.187 0.113 -0.846) 1.462 9.675 ( -1.693 11.849 1.328) 12.043 10.306 ( 1.734 15.032 13.878) 20.533 10.665 ( -0.575 3.048 0.803) 3.204 11.422 ( -1.774 -10.029 -0.588) 10.201 12.005 ( -0.553 0.269 -13.412) 13.426 12.419 ( 2.888 11.950 4.093) 12.957 13.191 ( 0.391 -0.980 6.932) 7.012 13.694 ( -1.377 5.029 -1.350) 5.386 14.155 ( 0.414 -23.957 0.143) 23.961 14.303 ( -1.030 -5.878 -2.779) 6.583 14.836 ( 1.591 -4.136 -2.810) 5.247 15.581 ( -1.283 -1.056 0.873) 1.878 15.879 ( 0.218 -2.603 0.664) 2.695 17.681 ( -0.047 2.669 -1.331) 2.983 18.314 ( -0.095 -6.068 -0.209) 6.073 18.646 ( -0.069 -2.654 1.992) 3.319 19.321 ( 0.176 -2.381 -0.637) 2.471 19.987 ( 0.156 2.118 -4.724) 5.180 21.770 ( -0.216 1.346 2.116) 2.517 22.494 ( 0.552 2.364 -1.244) 2.728 23.305 ( -0.287 6.494 -0.128) 6.502 23.987 ( -0.329 7.689 -0.216) 7.699 24.514 ( 0.659 3.410 -0.401) 3.496 24.754 ( -0.386 3.797 2.065) 4.340 ======================= Grid point 229 (94/231) ======================= q-point: (-0.15 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 1.205 20.001 6.569) 21.086 2.430 ( 0.665 12.257 8.029) 14.668 2.983 ( 1.016 7.590 -7.850) 10.967 3.138 ( 1.431 10.463 -16.216) 19.351 3.450 ( -2.968 -0.997 6.997) 7.665 3.664 ( 1.211 3.821 2.000) 4.480 3.751 ( 1.132 3.098 3.466) 4.784 3.931 ( 1.596 2.505 6.938) 7.547 4.156 ( 3.925 14.765 8.360) 17.415 4.737 ( -2.540 5.452 6.780) 9.063 4.860 ( 1.004 4.889 -2.600) 5.628 5.076 ( -3.565 4.261 -9.979) 11.421 5.335 ( 5.729 3.835 -16.183) 17.591 5.808 ( -0.085 5.567 -10.860) 12.204 6.301 ( 0.805 12.901 7.862) 15.130 6.390 ( -9.433 10.467 7.408) 15.919 6.608 ( 3.344 6.573 1.573) 7.541 6.888 ( -2.331 10.606 4.907) 11.917 7.159 ( 3.087 5.474 -4.473) 7.714 7.296 ( -0.745 10.568 0.143) 10.595 8.131 ( 0.624 6.198 -0.892) 6.293 8.250 ( -5.413 -3.761 -0.215) 6.595 8.797 ( 4.030 -2.191 -2.226) 5.098 9.316 ( -7.180 4.677 1.032) 8.631 9.478 ( 7.778 7.477 -0.940) 10.830 10.068 ( 2.724 10.363 16.179) 19.405 10.566 ( 0.317 5.078 -0.137) 5.089 11.553 ( -2.858 -3.254 -3.945) 5.858 11.931 ( 6.586 6.507 -3.653) 9.953 12.420 ( 3.139 -8.426 0.853) 9.032 13.284 ( -0.248 -7.986 4.217) 9.034 13.666 ( -2.757 -3.601 -1.561) 4.796 14.404 ( -2.339 -10.874 -2.003) 11.302 14.722 ( 0.030 -26.850 0.254) 26.851 14.984 ( 1.900 -10.048 -2.962) 10.646 15.634 ( -1.600 -4.855 1.653) 5.372 16.032 ( 0.625 -12.385 -0.125) 12.401 17.610 ( 0.080 4.943 -0.039) 4.944 18.390 ( -1.486 -2.671 0.210) 3.064 18.676 ( -0.976 -0.719 0.714) 1.407 19.325 ( -1.248 1.496 -1.016) 2.197 19.905 ( 0.181 6.765 -3.862) 7.792 21.679 ( -2.838 6.882 2.147) 7.748 22.393 ( -3.536 6.844 -1.412) 7.832 23.138 ( 3.248 11.590 -0.086) 12.036 23.711 ( 0.513 20.226 -0.443) 20.237 24.364 ( 0.657 12.432 -1.047) 12.493 24.694 ( 1.484 2.608 2.189) 3.714 ======================= Grid point 230 (95/231) ======================= q-point: (-0.08 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 8.868 20.573 8.456) 23.946 2.164 ( 2.899 16.642 9.031) 19.155 2.802 ( 1.616 11.763 -12.580) 17.298 2.911 ( 3.206 13.478 -19.235) 23.705 3.435 ( -2.032 1.616 13.266) 13.518 3.551 ( 1.796 7.755 5.797) 9.847 3.681 ( 1.404 6.258 4.717) 7.962 3.817 ( 5.768 21.817 10.391) 24.844 3.926 ( 1.160 0.918 6.017) 6.196 4.567 ( -6.635 8.431 5.857) 12.223 4.761 ( 2.234 6.911 -2.863) 7.808 4.952 ( -0.317 6.702 -12.948) 14.583 5.262 ( 3.456 7.226 -16.010) 17.901 5.602 ( -2.369 15.239 -17.756) 23.518 5.909 ( -4.134 23.353 6.257) 24.528 6.161 ( -3.506 9.067 7.940) 12.551 6.467 ( 1.692 11.561 0.555) 11.697 6.661 ( 0.644 10.027 9.376) 13.743 6.984 ( -3.298 12.689 -1.056) 13.152 7.147 ( 1.544 3.560 -1.411) 4.129 7.876 ( 0.089 16.628 4.113) 17.129 8.311 ( -6.153 -2.093 -5.020) 8.213 8.853 ( 1.591 -3.320 -2.105) 4.241 9.177 ( -6.850 2.286 -0.700) 7.255 9.466 ( 8.559 2.967 0.574) 9.077 10.002 ( 7.072 -1.551 19.495) 20.796 10.543 ( 0.634 -3.510 -0.451) 3.596 11.513 ( 5.198 3.990 -6.631) 9.322 11.997 ( 7.940 -6.932 1.782) 10.690 12.677 ( 2.674 -14.552 -1.038) 14.832 13.477 ( -1.296 -12.073 1.532) 12.239 13.773 ( -1.369 -8.439 -3.029) 9.070 14.612 ( -2.965 -12.147 -1.333) 12.574 15.161 ( 2.714 -15.933 0.084) 16.162 15.294 ( -0.575 -22.065 -2.721) 22.240 15.734 ( -1.472 -6.592 3.040) 7.407 16.328 ( 1.084 -16.286 -0.239) 16.323 17.479 ( 0.097 9.033 1.322) 9.130 18.392 ( -5.967 0.062 -0.738) 6.013 18.670 ( -2.580 -0.435 0.504) 2.664 19.234 ( -6.032 5.850 -0.752) 8.436 19.720 ( 1.543 12.880 -3.218) 13.365 21.464 ( -5.966 11.961 2.478) 13.594 22.181 ( -7.921 10.517 -1.889) 13.301 22.902 ( 5.523 16.837 1.151) 17.757 23.244 ( 2.406 27.766 -1.752) 27.926 24.048 ( -0.926 19.763 -2.081) 19.894 24.685 ( 5.461 0.620 1.673) 5.745 ======================= Grid point 235 (96/231) ======================= q-point: ( 0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 10.716 0.000 16.552) 19.718 1.776 ( 19.945 0.000 16.336) 25.781 2.368 ( 4.928 0.000 -19.398) 20.014 2.686 ( 6.402 0.000 -11.105) 12.818 3.063 ( 1.600 0.000 12.916) 13.015 3.168 ( 11.818 0.000 1.704) 11.940 3.393 ( 7.301 0.000 9.172) 11.723 3.502 ( -2.734 -0.000 -6.843) 7.369 3.549 ( 16.612 0.000 -2.618) 16.817 3.731 ( -5.124 -0.000 2.343) 5.634 3.760 ( -4.052 -0.000 15.700) 16.215 4.063 ( -5.404 -0.000 -0.081) 5.405 4.457 ( 8.049 0.000 -20.663) 22.175 4.605 ( -6.646 -0.000 10.470) 12.401 4.809 ( -6.019 -0.000 -18.347) 19.309 5.482 ( -2.426 -0.000 -13.223) 13.444 5.781 ( -3.754 -0.000 10.095) 10.771 5.982 ( 6.060 0.000 6.726) 9.054 6.634 ( -16.459 -0.000 0.099) 16.459 6.826 ( -4.613 -0.000 0.122) 4.615 7.121 ( 3.002 0.000 6.386) 7.056 7.812 ( 1.815 0.000 -2.435) 3.037 9.020 ( 2.613 0.000 16.577) 16.782 9.372 ( -4.897 -0.000 2.550) 5.521 9.626 ( -5.881 -0.000 3.514) 6.851 10.827 ( -4.810 -0.000 3.134) 5.741 11.901 ( 2.842 0.000 0.086) 2.843 12.592 ( 6.175 0.000 -9.441) 11.281 13.647 ( 5.265 0.000 3.336) 6.233 13.980 ( -0.055 -0.000 5.790) 5.790 14.126 ( -1.116 -0.000 -8.090) 8.167 14.580 ( 3.891 0.000 0.056) 3.891 15.006 ( -1.292 -0.000 12.415) 12.483 15.064 ( -0.019 -0.000 -13.400) 13.400 15.562 ( -1.655 -0.000 -9.035) 9.185 16.195 ( -13.025 -0.000 -2.874) 13.339 16.948 ( -0.385 -0.000 17.454) 17.458 16.969 ( -0.117 -0.000 13.392) 13.393 17.591 ( 1.975 0.000 1.155) 2.288 18.322 ( -0.132 -0.000 -17.478) 17.478 18.572 ( 2.327 0.000 -18.913) 19.056 19.170 ( -0.057 -0.000 8.288) 8.289 19.870 ( -8.339 -0.000 -0.894) 8.387 20.532 ( 0.014 0.000 -0.674) 0.674 20.911 ( 0.483 0.000 13.951) 13.959 21.512 ( -7.776 -0.000 1.779) 7.976 23.248 ( 0.417 0.000 -4.538) 4.557 25.560 ( 4.138 0.000 -6.778) 7.941 ======================= Grid point 236 (97/231) ======================= q-point: ( 0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 9.415 -22.933 8.016) 26.055 2.012 ( 15.557 -9.199 13.470) 22.541 2.461 ( 4.988 -6.079 -16.129) 17.944 2.734 ( 6.378 -1.148 -8.393) 10.604 3.083 ( -0.723 -0.368 10.714) 10.744 3.225 ( -2.715 0.242 -1.109) 2.943 3.360 ( 3.779 -4.659 3.355) 6.873 3.596 ( -2.001 -5.238 -1.560) 5.820 3.638 ( -0.659 -3.994 1.910) 4.476 3.824 ( 4.122 -5.481 8.984) 11.302 3.913 ( 12.027 -10.800 4.936) 16.902 4.170 ( 3.009 -12.896 -1.059) 13.284 4.571 ( -2.090 -7.495 -4.616) 9.047 4.626 ( 0.119 -7.401 -0.650) 7.430 4.890 ( -1.685 -10.659 -15.093) 18.554 5.504 ( -1.252 -3.862 -12.600) 13.238 5.786 ( -5.124 -3.491 8.116) 10.213 6.057 ( 2.056 -4.485 1.558) 5.173 6.540 ( -13.247 -2.500 3.196) 13.854 6.786 ( -4.429 0.321 0.657) 4.489 7.201 ( 2.228 -5.977 5.770) 8.601 7.863 ( 1.383 -3.821 -2.433) 4.736 9.059 ( 2.112 -1.525 8.702) 9.083 9.255 ( -3.931 8.443 1.358) 9.412 9.510 ( -5.058 6.005 6.291) 10.061 10.708 ( -4.346 8.070 0.263) 9.170 11.812 ( 4.924 10.477 0.509) 11.587 12.504 ( 7.954 13.044 -6.494) 16.601 13.531 ( 0.194 12.768 2.383) 12.990 14.001 ( 4.114 7.144 -3.600) 8.996 14.124 ( 5.453 -0.457 -1.981) 5.820 14.638 ( 4.897 0.332 0.320) 4.919 14.901 ( -5.279 -3.987 11.893) 13.608 15.243 ( -2.947 -3.586 -1.784) 4.973 15.491 ( 1.163 3.134 -13.795) 14.195 16.165 ( -11.910 -11.839 -6.779) 18.110 16.793 ( -0.708 13.319 11.573) 17.659 17.182 ( 2.552 -12.066 12.519) 17.574 17.527 ( -5.972 1.213 5.657) 8.315 18.044 ( 0.946 21.983 -11.717) 24.929 18.559 ( 1.249 5.115 -12.622) 13.677 19.294 ( -1.128 -1.404 0.090) 1.804 19.860 ( -4.397 -25.224 -1.849) 25.671 20.958 ( -1.475 -18.849 10.255) 21.509 21.178 ( 0.751 -33.665 1.171) 33.693 21.568 ( -6.530 -13.068 2.681) 14.853 23.246 ( -0.437 -0.122 -3.814) 3.841 25.515 ( 3.066 6.574 -4.552) 8.564 ======================= Grid point 237 (98/231) ======================= q-point: ( 0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 9.684 -21.443 -0.226) 23.529 2.318 ( 9.610 -12.410 7.871) 17.559 2.656 ( 3.796 -9.792 -7.429) 12.864 2.849 ( 6.889 -5.688 -5.808) 10.656 3.094 ( -2.356 -3.156 6.255) 7.392 3.200 ( -6.636 -2.483 -1.411) 7.224 3.529 ( -1.455 -6.967 2.559) 7.563 3.673 ( -0.691 -4.863 2.266) 5.409 3.787 ( 1.038 -12.944 2.936) 13.313 3.969 ( 7.019 -6.224 10.208) 13.864 4.274 ( -1.926 -20.347 -3.989) 20.823 4.495 ( 8.495 -12.341 2.378) 15.169 4.733 ( 1.638 -12.338 3.649) 12.970 4.884 ( 0.950 -16.101 -6.903) 17.544 5.149 ( 1.438 -15.186 -11.801) 19.286 5.606 ( 1.651 -6.325 -8.774) 10.941 5.850 ( -7.799 -8.556 4.680) 12.487 6.181 ( -4.957 -9.520 -3.143) 11.183 6.564 ( -5.376 -6.887 3.768) 9.515 6.768 ( -2.642 -1.862 3.372) 4.671 7.377 ( 1.112 -10.603 4.452) 11.553 7.966 ( 0.776 -5.614 -2.101) 6.045 8.992 ( -4.620 12.668 0.105) 13.485 9.051 ( -0.511 6.223 -1.475) 6.416 9.455 ( -0.540 -4.790 9.029) 10.235 10.495 ( -2.834 9.826 -0.496) 10.239 11.603 ( 5.990 14.985 1.992) 16.260 12.241 ( 7.566 19.159 -0.754) 20.613 13.194 ( -4.402 18.711 -0.211) 19.223 13.865 ( 7.375 11.439 -3.352) 14.018 13.996 ( 7.866 17.039 -2.298) 18.908 14.479 ( 2.176 16.073 2.047) 16.349 14.971 ( 5.531 11.774 0.666) 13.025 15.341 ( -6.954 -11.167 2.334) 13.360 15.415 ( -4.025 -5.441 -4.856) 8.330 16.425 ( -1.337 6.518 6.840) 9.542 16.615 ( -1.719 -16.383 -9.085) 18.812 17.155 ( -6.511 6.812 6.089) 11.220 17.502 ( 3.174 11.414 -3.909) 12.476 17.835 ( -8.441 -9.503 2.063) 12.877 18.403 ( -1.841 3.022 4.970) 6.101 19.434 ( -0.331 -11.932 -14.466) 18.755 20.467 ( 0.785 -31.301 3.664) 31.524 21.305 ( -0.998 -20.077 7.161) 21.339 21.770 ( -3.403 -28.665 2.249) 28.954 22.100 ( -1.027 -40.649 -0.300) 40.663 23.262 ( -1.508 -2.798 -2.750) 4.203 25.379 ( 2.743 9.048 -2.484) 9.775 ======================= Grid point 238 (99/231) ======================= q-point: ( 0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 8.615 -12.688 -1.932) 15.458 2.621 ( 6.891 -11.401 2.970) 13.649 2.859 ( 1.718 -8.617 -1.678) 8.945 3.019 ( 1.048 -7.384 2.764) 7.953 3.178 ( 1.461 -5.376 -3.370) 6.511 3.250 ( -3.427 -7.199 -2.473) 8.348 3.599 ( -7.956 -6.060 1.014) 10.052 3.785 ( -0.271 -5.926 7.282) 9.393 4.106 ( 5.545 -13.441 2.999) 14.846 4.183 ( 4.719 -12.462 8.839) 15.990 4.579 ( -3.820 -12.738 -4.089) 13.913 4.722 ( -3.293 -10.420 1.996) 11.109 5.066 ( 5.573 -13.296 -6.572) 15.844 5.224 ( 1.604 -19.587 -4.300) 20.117 5.466 ( 3.388 -15.375 -4.005) 16.245 5.791 ( 5.934 -11.270 0.838) 12.765 6.015 ( -8.459 -13.895 -2.201) 16.416 6.371 ( -8.039 -15.210 -4.998) 17.915 6.676 ( -2.269 -6.383 2.371) 7.177 6.869 ( 1.708 -9.532 5.465) 11.119 7.610 ( -0.163 -12.363 2.191) 12.557 8.068 ( 0.644 -3.726 -1.771) 4.175 8.692 ( -4.665 12.701 1.719) 13.640 8.951 ( -0.719 1.882 -2.719) 3.384 9.617 ( 0.629 -9.155 2.848) 9.608 10.338 ( -0.920 3.655 1.658) 4.117 11.330 ( 4.517 16.713 2.534) 17.497 11.907 ( 5.134 19.322 4.960) 20.598 12.791 ( -5.487 18.544 -3.507) 19.654 13.565 ( 7.720 22.306 1.644) 23.661 13.780 ( 3.929 10.145 -4.390) 11.732 14.100 ( -2.843 21.195 0.249) 21.387 14.782 ( 9.537 12.627 -1.267) 15.874 15.106 ( -6.763 13.139 -6.246) 16.043 15.566 ( 0.567 10.876 2.117) 11.095 16.373 ( 3.863 1.197 9.375) 10.210 16.706 ( -2.363 -0.897 -6.206) 6.701 16.953 ( -5.212 8.176 2.229) 9.949 17.686 ( 1.798 -25.566 -3.988) 25.937 17.882 ( -10.693 -3.965 -2.907) 11.769 18.521 ( -1.078 -12.175 10.990) 16.436 19.657 ( 0.479 -10.336 -13.401) 16.931 20.984 ( 1.645 -21.217 5.045) 21.871 21.708 ( 0.613 -20.874 2.290) 21.008 22.413 ( -2.058 -37.978 2.767) 38.134 22.854 ( 0.920 -33.958 -1.318) 33.996 23.363 ( -3.061 -11.049 -1.327) 11.541 25.220 ( 1.850 8.802 -1.032) 9.053 ======================= Grid point 239 (100/231) ======================= q-point: ( 0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 4.909 -5.895 -0.416) 7.683 2.834 ( 4.306 -7.220 1.294) 8.506 2.993 ( -2.260 -4.631 1.423) 5.346 3.133 ( -2.280 -5.813 4.314) 7.589 3.317 ( 4.945 -5.687 -8.864) 11.635 3.398 ( 0.213 -7.912 -3.491) 8.650 3.680 ( -5.703 -7.276 2.577) 9.597 3.887 ( -0.502 -4.711 9.954) 11.024 4.298 ( 0.024 -6.431 4.034) 7.591 4.517 ( 5.347 -14.029 6.749) 16.460 4.765 ( 1.947 -8.904 -4.472) 10.152 4.864 ( -7.187 -8.140 0.576) 10.874 5.227 ( -1.378 -4.361 -14.418) 15.127 5.589 ( -1.206 -14.181 -2.540) 14.457 5.844 ( 9.174 -19.418 2.061) 21.575 6.124 ( -1.582 -18.371 7.583) 19.937 6.236 ( 2.643 -12.138 -5.476) 13.575 6.615 ( -10.451 -15.289 -6.688) 19.690 6.819 ( 1.169 -10.166 6.569) 12.160 7.114 ( 2.337 -12.632 1.583) 12.944 7.816 ( -1.584 -8.259 -2.264) 8.709 8.120 ( 3.299 -1.204 -2.298) 4.197 8.490 ( -5.497 3.311 6.007) 8.790 8.996 ( 0.536 -6.317 -4.401) 7.717 9.768 ( -0.345 -6.232 1.888) 6.520 10.358 ( 0.273 -5.062 2.760) 5.772 11.054 ( 2.148 13.372 2.725) 13.815 11.584 ( 2.780 16.836 7.556) 18.662 12.414 ( -4.589 15.900 -3.604) 16.937 13.266 ( 2.822 10.920 1.859) 11.431 13.572 ( 3.959 16.014 -10.751) 19.690 13.697 ( -1.872 15.869 6.715) 17.333 14.565 ( 1.890 15.283 -4.787) 16.126 14.829 ( -0.352 11.921 -4.617) 12.789 15.217 ( -0.967 19.522 1.528) 19.606 16.117 ( 1.193 18.394 3.991) 18.860 16.522 ( 1.580 18.507 1.761) 18.658 17.251 ( -4.545 -30.717 0.131) 31.052 17.800 ( -0.754 2.129 -2.132) 3.107 18.228 ( -1.753 -21.016 -4.983) 21.670 18.762 ( -0.660 -13.445 9.647) 16.561 19.830 ( 0.491 -7.181 -10.583) 12.799 21.344 ( 0.911 -15.363 4.386) 16.002 22.088 ( 1.308 -16.832 0.029) 16.883 23.070 ( 0.980 -25.142 2.523) 25.288 23.326 ( -1.266 -19.049 -2.101) 19.206 23.741 ( -1.693 -27.367 0.037) 27.420 25.071 ( 0.750 7.453 0.062) 7.491 ======================= Grid point 240 (101/231) ======================= q-point: (-0.31 -0.69 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -0.341 0.236 2.937) 2.966 2.974 ( 1.030 -1.117 2.602) 3.014 3.017 ( -2.560 -3.629 -1.280) 4.622 3.219 ( -0.913 -3.848 1.117) 4.109 3.433 ( 2.991 -2.968 -7.550) 8.646 3.529 ( 0.709 -5.032 -4.102) 6.530 3.782 ( -1.325 -5.407 3.542) 6.598 3.958 ( -0.339 -2.847 10.005) 10.408 4.390 ( 1.202 -2.930 4.032) 5.127 4.737 ( 0.484 -6.740 6.450) 9.341 4.924 ( -4.097 -4.365 -1.876) 6.273 4.980 ( 3.024 -8.103 -2.909) 9.125 5.284 ( 0.665 -2.979 -15.799) 16.091 5.779 ( -0.474 -6.952 -1.454) 7.118 6.229 ( 5.073 -11.332 -0.762) 12.439 6.368 ( -12.056 -15.804 5.641) 20.662 6.563 ( 11.111 -11.358 3.709) 16.316 6.796 ( -7.280 -11.371 -3.504) 13.949 7.060 ( 3.068 -10.944 3.896) 12.015 7.349 ( 0.259 -9.789 -0.661) 9.814 7.894 ( -1.661 -2.695 -6.438) 7.174 8.197 ( 4.065 -3.316 -4.526) 6.928 8.486 ( -3.595 -5.547 9.917) 11.918 9.167 ( 0.939 -9.572 -5.254) 10.960 9.858 ( -1.284 -3.088 3.899) 5.137 10.490 ( -0.527 -7.776 3.013) 8.356 10.848 ( 0.950 10.313 6.215) 12.078 11.327 ( 2.285 10.016 4.542) 11.233 12.132 ( -2.378 10.053 -3.663) 10.960 13.093 ( 0.144 14.676 -5.266) 15.593 13.338 ( 1.594 3.984 -3.323) 5.427 13.485 ( 1.631 4.879 7.641) 9.211 14.235 ( -4.284 16.844 -4.252) 17.893 14.586 ( 1.264 14.616 -6.866) 16.198 14.919 ( 1.536 9.903 2.496) 10.328 15.808 ( -1.357 12.735 2.515) 13.052 16.175 ( 0.006 16.479 1.913) 16.589 17.734 ( -1.482 -7.161 -1.390) 7.444 17.796 ( 0.675 -14.571 -1.439) 14.658 18.483 ( 0.296 -7.441 -0.069) 7.447 19.030 ( 0.619 -12.925 4.194) 13.602 19.941 ( 0.307 -4.163 -7.887) 8.924 21.596 ( -0.276 -10.283 3.212) 10.777 22.358 ( 0.124 -10.138 -0.844) 10.174 23.327 ( 0.353 -5.666 0.610) 5.710 23.736 ( -0.475 -19.712 -0.334) 19.721 24.213 ( -0.180 -19.868 0.095) 19.869 24.945 ( 0.291 6.006 0.954) 6.088 ======================= Grid point 241 (102/231) ======================= q-point: (-0.23 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -1.476 3.581 5.306) 6.569 2.872 ( -5.691 6.989 3.158) 9.550 3.100 ( 1.578 -1.966 -3.557) 4.359 3.265 ( -0.152 -1.514 -0.521) 1.608 3.470 ( 0.312 0.414 -6.685) 6.705 3.608 ( 0.065 -3.168 -2.589) 4.092 3.852 ( 2.646 -0.947 3.162) 4.230 3.992 ( 0.323 -0.575 8.628) 8.654 4.434 ( 4.930 0.945 4.641) 6.836 4.812 ( -2.878 -2.077 6.722) 7.602 4.946 ( -3.156 -1.281 -3.238) 4.699 5.107 ( 2.195 -2.561 -3.760) 5.052 5.363 ( 5.580 -2.378 -14.151) 15.396 5.866 ( 1.653 -1.903 -4.719) 5.350 6.355 ( -7.740 -5.134 1.702) 9.442 6.569 ( -0.822 -6.486 7.227) 9.745 6.716 ( -4.764 -3.323 2.453) 6.305 6.974 ( 3.530 -6.386 0.939) 7.357 7.240 ( 5.117 -4.024 0.937) 6.577 7.472 ( -1.874 -3.170 -0.996) 3.815 7.947 ( -2.738 -4.614 -6.135) 8.150 8.276 ( 2.026 -2.341 -6.118) 6.857 8.612 ( 1.680 -7.012 9.092) 11.604 9.332 ( 0.374 -5.845 -3.779) 6.970 9.835 ( -1.444 4.799 3.913) 6.359 10.599 ( -2.618 6.520 9.393) 11.730 10.647 ( 2.894 1.756 5.215) 6.218 11.282 ( 2.482 -2.879 -0.295) 3.812 12.000 ( -0.355 2.324 -8.725) 9.036 12.763 ( 4.681 18.136 -2.950) 18.961 13.245 ( 0.554 5.473 7.584) 9.369 13.674 ( -0.077 -19.133 0.094) 19.133 13.887 ( -6.242 13.295 -1.792) 14.796 14.334 ( -2.103 9.002 -5.369) 10.691 14.832 ( 3.507 1.991 -0.598) 4.076 15.616 ( -1.628 5.809 1.293) 6.170 15.930 ( -0.439 7.800 1.349) 7.928 17.719 ( -0.523 1.454 -2.116) 2.620 18.134 ( 0.676 -13.029 -0.648) 13.063 18.584 ( 0.336 -3.751 2.163) 4.343 19.234 ( 0.958 -7.130 0.844) 7.244 19.995 ( 0.180 -1.266 -5.830) 5.968 21.732 ( -1.973 -4.438 2.290) 5.370 22.479 ( -2.461 -3.310 -0.984) 4.240 23.380 ( 1.645 0.485 -0.003) 1.715 23.995 ( 0.087 -6.690 -0.118) 6.691 24.479 ( 0.208 -7.555 -0.047) 7.558 24.843 ( 0.920 4.894 1.630) 5.240 ======================= Grid point 242 (103/231) ======================= q-point: (-0.15 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -1.184 8.276 6.053) 10.322 2.649 ( -2.944 11.287 5.935) 13.087 3.095 ( 1.263 3.272 -5.941) 6.899 3.273 ( 0.816 1.915 -6.762) 7.075 3.432 ( -1.867 1.920 -1.766) 3.208 3.660 ( -0.681 -2.316 -1.092) 2.649 3.855 ( 5.095 3.422 3.650) 7.141 3.989 ( 1.473 1.610 7.642) 7.948 4.410 ( 7.844 6.942 5.823) 11.984 4.779 ( -6.769 1.862 5.653) 9.014 4.932 ( 0.236 1.574 -3.385) 3.741 5.126 ( 3.103 2.176 -4.606) 5.965 5.425 ( 5.921 0.799 -11.875) 13.293 5.882 ( 2.171 1.729 -10.826) 11.176 6.344 ( -10.317 -0.554 4.734) 11.364 6.536 ( -7.835 6.315 3.534) 10.666 6.716 ( 2.397 1.892 5.198) 6.029 7.020 ( 0.576 3.625 3.511) 5.080 7.287 ( 6.230 3.309 -2.104) 7.361 7.440 ( -2.758 4.706 0.739) 5.505 8.028 ( -4.734 -6.691 -3.921) 9.085 8.292 ( 0.206 2.507 -3.478) 4.293 8.759 ( 5.111 -5.120 3.713) 8.132 9.361 ( -3.412 2.483 -0.032) 4.220 9.686 ( 3.081 8.831 0.702) 9.379 10.344 ( 2.906 14.408 14.446) 20.609 10.667 ( 0.772 2.599 0.655) 2.789 11.404 ( -0.751 -7.231 -2.499) 7.688 12.027 ( 3.418 -3.027 -11.962) 12.804 12.507 ( 9.157 12.707 4.076) 16.185 13.194 ( -0.401 -0.629 6.833) 6.874 13.646 ( -5.012 4.821 -1.141) 7.047 14.129 ( -4.105 -23.978 -1.205) 24.357 14.266 ( -3.104 -6.905 -2.080) 7.851 14.875 ( 3.290 -3.679 -2.568) 5.563 15.561 ( -1.246 -0.994 0.955) 1.858 15.882 ( 0.152 -3.068 0.761) 3.165 17.681 ( -0.017 2.496 -1.467) 2.895 18.306 ( -1.025 -5.444 -0.255) 5.545 18.643 ( -0.442 -2.067 1.973) 2.891 19.320 ( -0.320 -1.594 -0.528) 1.709 19.989 ( 0.155 2.129 -4.509) 4.989 21.738 ( -3.928 1.644 1.730) 4.596 22.455 ( -5.213 2.702 -0.729) 5.917 23.340 ( 4.421 5.883 -0.385) 7.369 23.989 ( 0.544 7.527 -0.231) 7.550 24.519 ( 0.086 3.221 -0.272) 3.234 24.772 ( 2.580 3.631 1.946) 4.861 ======================= Grid point 243 (104/231) ======================= q-point: (-0.08 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 2.667 15.349 6.387) 16.837 2.455 ( 2.398 11.133 8.761) 14.369 3.002 ( 2.140 7.420 -8.315) 11.348 3.162 ( 1.840 9.877 -16.441) 19.268 3.407 ( -3.025 -0.866 6.439) 7.167 3.670 ( -1.006 1.117 0.995) 1.803 3.800 ( 5.832 6.387 5.432) 10.214 3.962 ( 2.345 2.247 7.216) 7.913 4.265 ( 10.083 15.134 7.691) 19.745 4.645 ( -9.445 5.664 4.209) 11.790 4.885 ( 1.573 4.122 -2.240) 4.948 5.078 ( 5.076 5.545 -5.657) 9.408 5.406 ( 3.586 4.748 -11.183) 12.668 5.804 ( -1.681 7.581 -17.782) 19.404 6.218 ( -10.337 9.417 4.191) 14.598 6.279 ( -5.718 9.781 3.394) 11.827 6.666 ( 5.023 6.451 3.566) 8.920 6.865 ( -1.351 10.646 7.660) 13.185 7.194 ( -0.885 10.228 -2.315) 10.524 7.284 ( 1.556 8.056 2.424) 8.556 8.118 ( -3.876 -1.380 -3.643) 5.495 8.172 ( -3.346 4.415 0.921) 5.616 8.858 ( 3.694 -0.841 -1.249) 3.989 9.207 ( -7.008 6.692 0.780) 9.722 9.608 ( 9.186 4.381 -1.106) 10.237 10.132 ( 5.451 9.296 16.597) 19.789 10.591 ( 3.155 4.966 -0.951) 5.960 11.511 ( -3.178 -5.016 -4.751) 7.604 12.083 ( 13.380 3.869 -4.839) 14.745 12.482 ( 5.806 -5.392 2.872) 8.429 13.269 ( -1.980 -7.752 3.408) 8.696 13.625 ( -2.597 -5.004 -1.194) 5.763 14.347 ( -5.560 -11.507 -2.841) 13.092 14.694 ( -3.196 -27.964 0.213) 28.147 15.023 ( 2.954 -9.522 -2.570) 10.296 15.615 ( -0.599 -4.754 2.192) 5.269 16.046 ( 1.258 -12.745 0.180) 12.808 17.614 ( 0.446 4.865 -0.567) 4.918 18.346 ( -4.708 -0.866 -0.030) 4.787 18.650 ( -2.376 0.130 1.205) 2.668 19.290 ( -3.507 3.434 -0.713) 4.960 19.909 ( 0.485 6.428 -3.971) 7.571 21.613 ( -5.598 7.564 1.571) 9.540 22.307 ( -6.737 7.791 -0.529) 10.313 23.218 ( 6.334 10.976 -0.319) 12.677 23.727 ( 1.487 19.637 -0.664) 19.704 24.359 ( -1.260 12.896 -0.169) 12.959 24.749 ( 5.308 1.595 1.466) 5.733 ======================= Grid point 249 (105/231) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 7.088 0.000 14.554) 16.189 2.044 ( 15.835 0.000 12.400) 20.113 2.435 ( 4.460 0.000 -18.614) 19.140 2.772 ( 6.193 0.000 -7.067) 9.397 3.085 ( 0.897 0.000 11.348) 11.383 3.199 ( -10.175 -0.000 -0.905) 10.216 3.369 ( 5.703 0.000 -0.842) 5.764 3.464 ( -2.171 -0.000 -5.671) 6.072 3.605 ( -4.049 -0.000 11.467) 12.161 3.666 ( -3.449 -0.000 2.149) 4.063 3.988 ( -4.619 -0.000 -0.319) 4.630 4.149 ( 35.865 0.000 4.634) 36.163 4.464 ( -6.508 -0.000 -11.495) 13.210 4.521 ( -4.883 -0.000 10.725) 11.784 4.806 ( 7.062 0.000 -12.539) 14.391 5.452 ( -1.350 -0.000 -12.775) 12.846 5.717 ( -6.328 -0.000 3.714) 7.337 6.015 ( -2.945 -0.000 -1.691) 3.396 6.430 ( -9.034 -0.000 6.447) 11.099 6.753 ( -5.003 -0.000 0.550) 5.034 7.159 ( 1.955 0.000 6.343) 6.638 7.834 ( 1.276 0.000 -2.586) 2.884 9.058 ( 2.141 0.000 12.320) 12.505 9.321 ( -1.925 -0.000 1.351) 2.351 9.538 ( -6.025 -0.000 4.435) 7.482 10.759 ( -4.387 -0.000 -0.265) 4.395 11.945 ( 3.081 0.000 -0.291) 3.095 12.700 ( 8.506 0.000 -7.113) 11.088 13.657 ( -4.143 -0.000 -1.571) 4.431 13.980 ( -0.082 -0.000 5.801) 5.802 14.103 ( -1.005 -0.000 -1.054) 1.456 14.697 ( 10.547 0.000 0.454) 10.557 14.992 ( -0.355 -0.000 4.645) 4.658 15.061 ( 0.041 0.000 -13.406) 13.407 15.552 ( -0.252 -0.000 -4.045) 4.052 16.013 ( -11.184 -0.000 -5.519) 12.472 16.946 ( -0.291 -0.000 17.470) 17.472 16.965 ( -0.761 -0.000 14.125) 14.146 17.609 ( 0.440 0.000 1.062) 1.149 18.318 ( -0.065 -0.000 -17.405) 17.405 18.616 ( 3.977 0.000 -18.830) 19.245 19.170 ( -0.076 -0.000 8.187) 8.187 19.759 ( -6.684 -0.000 -0.788) 6.730 20.532 ( 0.019 0.000 -0.660) 0.661 20.916 ( 0.104 0.000 12.361) 12.361 21.419 ( -4.830 -0.000 4.121) 6.349 23.243 ( -0.873 -0.000 -4.075) 4.168 25.595 ( 1.275 0.000 -4.434) 4.614 ======================= Grid point 250 (106/231) ======================= q-point: ( 0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 4.636 -23.528 8.083) 25.306 2.214 ( 11.105 -6.334 8.911) 15.584 2.521 ( 3.282 -5.963 -14.218) 15.763 2.833 ( 7.307 -1.493 -4.879) 8.912 3.050 ( -5.566 1.265 2.091) 6.078 3.126 ( -5.560 -0.925 5.566) 7.921 3.436 ( 2.545 -3.491 0.283) 4.330 3.569 ( -1.900 -8.119 -0.087) 8.339 3.601 ( 0.781 -2.592 4.087) 4.902 3.802 ( -1.593 -13.975 1.208) 14.117 3.984 ( -2.829 -4.765 2.052) 5.909 4.422 ( 15.722 -5.316 1.697) 16.683 4.510 ( -4.227 -9.113 -1.658) 10.181 4.631 ( 5.527 -11.959 2.960) 13.502 4.941 ( 6.816 -7.589 -7.717) 12.791 5.495 ( 0.319 -5.175 -12.070) 13.137 5.686 ( -9.382 -3.059 0.165) 9.870 6.012 ( -5.819 -3.439 -2.519) 7.213 6.422 ( -3.968 -4.076 5.503) 7.915 6.726 ( -2.841 -0.570 2.427) 3.780 7.227 ( 1.168 -5.649 5.921) 8.266 7.879 ( 0.787 -3.610 -2.479) 4.449 9.082 ( 1.010 0.053 5.295) 5.391 9.222 ( -0.436 8.866 0.443) 8.888 9.440 ( -4.606 3.926 7.584) 9.703 10.649 ( -3.528 7.487 -1.617) 8.433 11.875 ( 3.617 9.018 0.559) 9.732 12.628 ( 8.922 13.173 -3.882) 16.377 13.470 ( -7.658 13.147 -1.430) 15.282 14.034 ( 1.656 5.361 -0.810) 5.669 14.208 ( 4.287 -11.264 -0.144) 12.053 14.706 ( 2.584 1.215 1.569) 3.258 14.861 ( 0.680 5.063 7.775) 9.303 15.220 ( -0.217 -1.578 -2.656) 3.097 15.532 ( 4.549 3.103 -12.550) 13.705 15.991 ( -11.184 -15.583 -7.197) 20.486 16.781 ( -1.222 14.583 11.710) 18.742 17.218 ( 1.997 -15.970 12.810) 20.570 17.450 ( -4.472 7.406 4.521) 9.762 18.059 ( 1.410 23.378 -10.802) 25.792 18.586 ( 2.440 6.772 -11.740) 13.771 19.262 ( -2.954 1.275 -3.412) 4.690 19.820 ( -1.222 -30.396 0.484) 30.425 20.944 ( -0.715 -18.564 9.098) 20.686 21.187 ( 0.626 -33.036 1.718) 33.086 21.496 ( -3.503 -13.338 4.220) 14.422 23.233 ( -1.189 -0.010 -3.817) 3.998 25.543 ( 1.233 5.837 -3.320) 6.828 ======================= Grid point 251 (107/231) ======================= q-point: ( 0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 2.889 -23.624 0.081) 23.800 2.438 ( 6.114 -10.297 3.602) 12.505 2.691 ( 0.344 -9.267 -6.580) 11.371 2.908 ( -0.157 -3.234 4.997) 5.954 3.087 ( 2.085 -6.148 -2.244) 6.869 3.125 ( -2.222 -2.846 -0.653) 3.669 3.471 ( -3.559 -2.077 0.038) 4.122 3.674 ( 0.073 -5.286 5.539) 7.657 3.826 ( 1.947 -16.251 0.933) 16.394 4.021 ( 1.370 -8.297 7.495) 11.265 4.224 ( -2.392 -19.297 -4.692) 20.002 4.565 ( 0.303 -6.006 6.579) 8.914 4.783 ( 1.734 -17.198 -5.729) 18.210 4.952 ( 9.415 -12.979 -1.380) 16.094 5.172 ( -1.050 -14.215 -2.258) 14.432 5.637 ( -0.263 -7.124 -3.716) 8.040 5.742 ( -3.251 -10.229 -6.695) 12.650 6.084 ( -4.353 -8.346 -2.106) 9.645 6.514 ( -4.168 -7.631 0.453) 8.707 6.756 ( 1.522 -3.643 5.905) 7.104 7.389 ( 0.383 -10.144 4.756) 11.210 7.973 ( 0.172 -5.404 -2.107) 5.802 8.947 ( -1.381 13.689 0.200) 13.759 9.048 ( 0.250 7.735 -2.314) 8.078 9.446 ( -0.871 -7.125 8.241) 10.929 10.458 ( -2.294 8.893 -1.278) 9.273 11.667 ( 2.886 14.620 1.983) 15.034 12.352 ( 7.346 20.556 2.968) 22.030 13.099 ( -7.724 17.672 -3.820) 19.661 13.933 ( 2.608 7.052 -1.507) 7.668 14.088 ( 3.197 21.379 -2.055) 21.714 14.504 ( 2.252 18.931 0.821) 19.083 15.061 ( 3.804 7.638 4.243) 9.530 15.228 ( -6.978 -13.048 -3.400) 15.182 15.418 ( 4.451 -4.248 -2.491) 6.638 16.373 ( -5.266 8.767 6.327) 12.026 16.614 ( 1.619 -27.407 -7.632) 28.496 17.067 ( -4.781 13.641 2.300) 14.636 17.557 ( 1.720 18.108 -4.773) 18.805 17.746 ( -2.124 -11.725 4.988) 12.917 18.399 ( 1.146 4.121 6.863) 8.087 19.415 ( -1.748 -13.811 -17.108) 22.057 20.486 ( 1.444 -32.107 4.825) 32.500 21.295 ( -0.703 -20.327 6.748) 21.429 21.732 ( -1.311 -27.902 3.140) 28.109 22.095 ( 0.079 -41.955 0.020) 41.955 23.240 ( -1.378 -2.212 -3.156) 4.092 25.406 ( 1.190 8.760 -2.010) 9.066 ======================= Grid point 252 (108/231) ======================= q-point: (-0.38 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 0.379 -13.399 -3.108) 13.760 2.693 ( 2.862 -11.198 1.262) 11.627 2.838 ( -5.708 -7.378 -0.942) 9.376 2.991 ( -2.261 -6.497 6.031) 9.149 3.202 ( -0.065 -7.337 3.098) 7.965 3.276 ( 6.902 -7.160 -10.654) 14.574 3.519 ( -2.153 -5.430 1.110) 5.946 3.786 ( 0.472 -5.557 7.334) 9.214 4.152 ( 0.502 -12.727 2.697) 13.019 4.214 ( -1.755 -13.875 8.217) 16.221 4.558 ( 2.395 -14.568 -6.078) 15.966 4.689 ( -1.245 -7.072 5.010) 8.756 5.094 ( 1.835 -10.648 -11.580) 15.839 5.264 ( -0.516 -17.149 -3.500) 17.510 5.505 ( 1.710 -20.260 3.320) 20.601 5.758 ( -9.083 -10.798 4.381) 14.775 6.030 ( 6.837 -15.355 -9.308) 19.214 6.276 ( -0.432 -12.900 -3.089) 13.272 6.640 ( -3.119 -8.693 1.012) 9.291 6.903 ( 2.309 -9.568 5.226) 11.144 7.610 ( 0.091 -11.738 2.385) 11.978 8.071 ( -0.229 -4.405 -1.932) 4.816 8.657 ( 0.163 14.006 2.068) 14.159 8.946 ( 0.163 1.551 -2.888) 3.282 9.620 ( -0.237 -9.110 2.307) 9.400 10.320 ( -1.669 2.617 1.092) 3.291 11.367 ( 0.535 16.976 2.496) 17.167 11.985 ( 5.159 21.024 8.571) 23.282 12.708 ( -5.241 17.356 -6.509) 19.263 13.610 ( -1.859 22.636 1.991) 22.799 13.824 ( 2.209 8.978 -4.060) 10.098 14.098 ( 3.024 23.127 0.801) 23.338 14.857 ( -2.301 14.021 -2.144) 14.370 15.040 ( 0.251 11.215 -5.621) 12.547 15.600 ( 3.886 14.216 2.101) 14.887 16.358 ( -6.369 -9.648 7.543) 13.804 16.685 ( 1.693 3.428 -4.051) 5.570 16.934 ( 0.847 12.546 2.006) 12.734 17.620 ( -8.362 -28.472 -7.422) 30.588 17.875 ( 7.795 -3.085 -0.837) 8.425 18.524 ( 1.039 -11.520 12.115) 16.750 19.654 ( -0.500 -11.184 -14.409) 18.247 21.001 ( 0.366 -20.832 5.591) 21.572 21.708 ( -0.838 -21.813 2.047) 21.925 22.404 ( 0.934 -38.894 3.270) 39.043 22.863 ( 0.362 -34.195 -1.032) 34.212 23.331 ( -1.304 -10.181 -1.967) 10.451 25.237 ( 0.527 8.969 -0.832) 9.023 ======================= Grid point 253 (109/231) ======================= q-point: (-0.31 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -5.062 -5.375 0.092) 7.384 2.885 ( -0.698 -7.348 1.832) 7.605 2.907 ( -5.922 -5.208 -0.876) 7.935 3.110 ( -1.131 -6.454 2.088) 6.877 3.359 ( 0.909 -7.163 -1.957) 7.481 3.439 ( 4.654 -5.064 -7.457) 10.144 3.651 ( 2.282 -7.724 3.125) 8.639 3.888 ( 0.465 -4.412 9.213) 10.226 4.323 ( 3.255 -6.018 5.983) 9.089 4.487 ( -8.984 -15.159 2.770) 17.837 4.789 ( -1.054 -6.573 3.620) 7.578 4.862 ( 8.509 -9.994 -3.461) 13.574 5.230 ( 2.070 -3.994 -15.290) 15.938 5.578 ( -0.507 -14.520 -5.155) 15.416 5.915 ( -13.448 -17.509 4.024) 22.441 5.966 ( 2.770 -19.482 5.858) 20.531 6.354 ( -0.651 -14.034 -8.064) 16.199 6.547 ( 6.533 -12.472 1.348) 14.144 6.844 ( 2.447 -12.985 2.121) 13.383 7.124 ( -1.126 -11.865 2.486) 12.175 7.806 ( 0.314 -7.140 -2.184) 7.473 8.145 ( -0.157 -3.889 -2.632) 4.699 8.466 ( 2.483 5.354 6.008) 8.422 9.002 ( 0.402 -6.631 -4.166) 7.842 9.757 ( -1.062 -5.718 1.728) 6.067 10.344 ( -2.196 -5.570 2.520) 6.496 11.062 ( -1.209 13.095 2.613) 13.408 11.638 ( 4.332 17.986 9.738) 20.907 12.366 ( -1.656 14.760 -5.548) 15.855 13.247 ( -5.329 10.759 0.493) 12.016 13.601 ( 0.184 15.588 -7.469) 17.286 13.733 ( 6.287 16.534 6.370) 18.801 14.507 ( -7.757 16.235 -6.457) 19.117 14.857 ( 2.417 11.274 -4.154) 12.256 15.234 ( 3.249 20.182 1.730) 20.515 16.090 ( -4.795 17.515 3.681) 18.529 16.523 ( -1.414 18.550 1.727) 18.683 17.241 ( 3.028 -30.303 -0.082) 30.454 17.777 ( -1.720 -0.788 -2.650) 3.256 18.254 ( 4.941 -18.213 -4.451) 19.390 18.773 ( 1.799 -13.438 10.023) 16.860 19.831 ( -0.046 -7.429 -10.689) 13.017 21.342 ( -1.236 -15.178 4.395) 15.850 22.084 ( -1.874 -17.185 -0.073) 17.287 23.093 ( 1.954 -25.192 3.507) 25.509 23.310 ( -0.555 -18.260 -2.918) 18.500 23.732 ( 0.333 -27.962 -0.156) 27.964 25.077 ( 0.026 7.522 0.182) 7.524 ======================= Grid point 254 (110/231) ======================= q-point: (-0.23 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -5.552 -1.320 3.673) 6.787 2.869 ( -11.607 -0.244 1.639) 11.725 3.042 ( 2.304 -5.333 -1.157) 5.923 3.210 ( -0.318 -4.206 -1.185) 4.381 3.459 ( 0.715 -2.482 -4.598) 5.274 3.543 ( 1.467 -3.521 -3.878) 5.439 3.817 ( 5.279 -5.581 3.241) 8.338 3.963 ( 0.779 -2.755 9.090) 9.530 4.453 ( 6.458 -3.500 5.488) 9.169 4.648 ( -11.414 -9.389 2.077) 14.925 4.878 ( -0.745 -3.827 1.551) 4.196 5.088 ( 10.366 -4.983 -0.900) 11.537 5.331 ( 4.745 -4.482 -14.350) 15.765 5.798 ( 1.624 -7.612 -8.996) 11.896 6.089 ( -14.372 -12.435 3.149) 19.264 6.346 ( -3.379 -15.767 5.161) 16.931 6.554 ( -1.191 -8.946 -2.922) 9.486 6.835 ( 5.185 -11.351 6.619) 14.126 7.137 ( 7.510 -11.632 -1.819) 13.965 7.320 ( -3.646 -9.588 2.333) 10.519 7.874 ( -1.009 -1.319 -5.055) 5.321 8.230 ( 0.657 -4.304 -4.336) 6.145 8.503 ( 5.275 -5.096 7.796) 10.704 9.172 ( -0.003 -9.637 -4.575) 10.668 9.834 ( -1.987 -2.907 3.408) 4.900 10.456 ( -3.947 -7.628 4.116) 9.524 10.853 ( -0.550 8.806 4.800) 10.044 11.386 ( 5.589 10.461 6.015) 13.298 12.124 ( 1.218 9.823 -5.608) 11.377 13.076 ( -3.228 7.860 -4.754) 9.736 13.353 ( -0.024 6.155 -1.041) 6.242 13.518 ( 3.336 8.202 6.836) 11.187 14.142 ( -6.843 15.952 -5.030) 18.072 14.580 ( -1.894 16.354 -6.469) 17.689 14.974 ( 5.081 9.806 1.889) 11.204 15.772 ( -3.373 11.695 2.662) 12.460 16.162 ( -1.723 16.167 1.733) 16.350 17.687 ( -3.353 -8.190 -2.276) 9.137 17.861 ( 6.652 -12.816 -0.579) 14.451 18.497 ( 1.622 -6.422 0.094) 6.625 19.057 ( 2.872 -12.394 4.048) 13.351 19.942 ( -0.024 -4.235 -7.503) 8.616 21.574 ( -2.608 -10.024 2.804) 10.730 22.327 ( -3.959 -9.942 -0.672) 10.722 23.342 ( 1.415 -5.787 0.576) 5.985 23.738 ( 0.801 -19.726 -0.349) 19.745 24.217 ( 0.607 -19.770 -0.017) 19.779 24.951 ( 0.401 5.639 1.037) 5.747 ======================= Grid point 255 (111/231) ======================= q-point: (-0.15 -0.62 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -3.336 1.674 5.560) 6.697 2.754 ( -9.203 3.904 3.620) 10.632 3.123 ( 1.273 -1.566 -3.121) 3.716 3.264 ( 0.097 -1.663 -2.533) 3.031 3.470 ( -0.109 1.495 -5.871) 6.059 3.604 ( -0.368 -2.589 -1.768) 3.157 3.923 ( 5.695 -0.976 3.283) 6.645 4.009 ( 2.159 -0.844 7.791) 8.129 4.540 ( 7.989 0.454 5.180) 9.533 4.694 ( -10.798 -4.007 2.819) 11.858 4.930 ( 0.294 -1.630 -0.724) 1.808 5.210 ( 11.744 0.277 -1.010) 11.790 5.444 ( 4.734 -2.727 -10.150) 11.527 5.895 ( -0.173 -2.142 -13.895) 14.061 6.185 ( -10.776 -6.945 3.493) 13.287 6.471 ( -12.811 -4.426 -1.867) 13.682 6.720 ( 6.211 -4.802 8.586) 11.635 7.020 ( 0.945 -4.699 5.152) 7.037 7.343 ( 5.940 -3.535 -2.892) 7.493 7.429 ( -1.504 -3.484 3.727) 5.319 7.892 ( -4.054 -3.139 -3.935) 6.463 8.302 ( 1.548 -1.874 -6.334) 6.784 8.678 ( 6.314 -7.209 6.228) 11.429 9.322 ( -1.550 -4.925 -2.381) 5.686 9.820 ( -0.638 3.205 2.719) 4.251 10.544 ( -4.680 -1.123 9.786) 10.906 10.692 ( 2.590 6.002 4.555) 7.968 11.341 ( 5.303 -0.266 -0.013) 5.309 12.013 ( 1.926 2.239 -9.986) 10.414 12.857 ( 7.398 13.638 -2.389) 15.698 13.255 ( 0.703 5.902 8.238) 10.158 13.606 ( -9.809 -15.258 0.821) 18.158 13.816 ( -1.550 10.396 -2.733) 10.861 14.287 ( -3.723 9.568 -4.529) 11.221 14.889 ( 3.617 2.755 -1.637) 4.833 15.592 ( -1.481 5.088 1.965) 5.652 15.918 ( -1.123 7.088 1.198) 7.276 17.707 ( -0.961 0.394 -2.195) 2.428 18.157 ( 2.407 -10.284 -0.493) 10.574 18.593 ( 0.711 -3.221 1.981) 3.848 19.253 ( 1.576 -5.893 0.789) 6.151 19.996 ( 0.002 -1.335 -5.264) 5.430 21.686 ( -3.823 -3.957 1.693) 5.756 22.415 ( -5.355 -2.936 -0.534) 6.130 23.419 ( 3.069 -0.647 -0.276) 3.148 24.002 ( 0.707 -6.571 0.029) 6.609 24.483 ( 0.283 -7.414 -0.210) 7.422 24.864 ( 1.608 4.074 1.675) 4.689 ======================= Grid point 256 (112/231) ======================= q-point: (-0.08 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -2.452 7.681 5.202) 9.596 2.625 ( -0.261 5.319 7.411) 9.126 3.118 ( 1.777 2.961 -5.249) 6.283 3.277 ( -0.062 1.005 -7.284) 7.353 3.410 ( -0.981 3.417 -2.780) 4.513 3.641 ( -1.704 -1.873 -0.412) 2.565 3.944 ( 5.419 2.753 4.402) 7.505 4.025 ( 3.976 1.631 6.603) 7.878 4.538 ( 7.382 5.903 5.348) 10.860 4.646 ( -8.853 1.687 3.670) 9.730 4.941 ( 0.806 0.974 -1.402) 1.888 5.251 ( 13.074 4.916 -1.525) 14.050 5.487 ( 2.920 1.216 -7.710) 8.333 5.875 ( -5.539 2.246 -15.980) 17.061 6.199 ( -7.727 -1.191 0.877) 7.867 6.379 ( -10.019 4.351 -3.819) 11.571 6.790 ( 5.492 1.956 10.711) 12.195 7.019 ( -0.345 4.887 4.889) 6.922 7.340 ( -2.996 4.868 1.138) 5.829 7.435 ( 5.738 4.477 1.515) 7.434 7.943 ( -6.170 -6.004 -2.611) 8.997 8.296 ( 0.067 3.717 -4.932) 6.177 8.840 ( 5.159 -4.290 2.770) 7.259 9.296 ( -4.824 5.173 0.770) 7.115 9.750 ( 5.010 4.233 -0.089) 6.560 10.390 ( 2.891 11.821 14.585) 18.995 10.684 ( 1.262 0.815 0.759) 1.683 11.394 ( -0.751 -2.717 -4.158) 5.023 12.084 ( 4.158 -6.862 -10.277) 13.038 12.689 ( 15.145 12.721 3.008) 20.006 13.176 ( -2.215 0.799 5.888) 6.341 13.554 ( -7.084 1.213 0.354) 7.195 14.031 ( -8.712 -19.422 -2.823) 21.473 14.239 ( -0.157 -10.104 -0.759) 10.134 14.915 ( 1.827 -3.402 -3.481) 5.199 15.552 ( 0.106 -1.247 2.091) 2.437 15.885 ( 0.268 -4.019 0.829) 4.112 17.682 ( 0.232 2.023 -1.746) 2.682 18.284 ( -1.982 -3.078 -0.237) 3.668 18.634 ( -0.791 -0.793 1.951) 2.250 19.310 ( -1.068 0.205 -0.393) 1.156 19.990 ( 0.089 2.009 -4.156) 4.617 21.672 ( -4.400 2.274 1.174) 5.090 22.373 ( -4.961 3.153 -0.255) 5.883 23.410 ( 4.357 4.584 -0.598) 6.352 24.000 ( 0.883 7.234 -0.076) 7.288 24.517 ( -0.410 3.723 -0.206) 3.751 24.819 ( 3.359 2.285 1.750) 4.424 ======================= Grid point 263 (113/231) ======================= q-point: ( 0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 2.043 0.000 13.393) 13.548 2.226 ( 7.991 0.000 10.683) 13.341 2.486 ( 2.712 0.000 -18.226) 18.427 2.871 ( 6.577 0.000 -6.925) 9.550 3.027 ( -10.026 -0.000 -0.925) 10.068 3.085 ( -1.443 -0.000 9.739) 9.846 3.423 ( 0.040 0.000 7.098) 7.098 3.445 ( 0.158 0.000 -3.561) 3.565 3.602 ( 2.109 0.000 1.615) 2.656 3.636 ( -0.749 -0.000 1.618) 1.783 3.938 ( -1.884 -0.000 -0.472) 1.942 4.330 ( -4.539 -0.000 -7.348) 8.637 4.469 ( -2.358 -0.000 10.660) 10.918 4.583 ( 17.216 0.000 0.448) 17.222 4.932 ( 5.656 0.000 -3.653) 6.733 5.439 ( -0.133 -0.000 -12.382) 12.382 5.584 ( -8.435 -0.000 -3.924) 9.303 5.955 ( -1.659 -0.000 -1.008) 1.941 6.350 ( -5.143 -0.000 4.289) 6.697 6.708 ( -0.156 -0.000 3.347) 3.351 7.179 ( 0.613 0.000 6.309) 6.339 7.847 ( 0.483 0.000 -2.658) 2.702 9.086 ( 1.547 0.000 10.224) 10.341 9.318 ( 1.343 0.000 0.796) 1.561 9.457 ( -4.895 -0.000 4.690) 6.779 10.701 ( -3.497 -0.000 -1.847) 3.954 11.988 ( 2.733 0.000 0.428) 2.766 12.833 ( 9.697 0.000 -5.797) 11.298 13.543 ( -10.413 -0.000 -3.030) 10.845 13.980 ( -0.105 -0.000 5.794) 5.795 14.102 ( 0.367 0.000 0.663) 0.758 14.820 ( 4.149 0.000 1.123) 4.298 15.035 ( 7.346 0.000 1.775) 7.557 15.060 ( 0.126 0.000 -13.400) 13.400 15.524 ( -4.324 -0.000 -0.099) 4.326 15.891 ( -4.283 -0.000 -9.231) 10.176 16.945 ( -0.177 -0.000 17.501) 17.502 16.951 ( -1.545 -0.000 14.134) 14.218 17.604 ( -1.029 -0.000 0.038) 1.030 18.315 ( 0.066 0.000 -17.383) 17.383 18.677 ( 4.666 0.000 -17.658) 18.264 19.170 ( -0.100 -0.000 8.126) 8.126 19.676 ( -4.683 -0.000 -0.917) 4.771 20.533 ( 0.023 0.000 -0.650) 0.650 20.928 ( 1.451 0.000 12.554) 12.637 21.370 ( -2.110 -0.000 4.869) 5.307 23.225 ( -1.427 -0.000 -4.229) 4.464 25.608 ( 0.930 0.000 -3.396) 3.521 ======================= Grid point 264 (114/231) ======================= q-point: (-0.46 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -0.683 -23.592 7.914) 24.894 2.323 ( 3.081 -5.597 7.768) 10.058 2.540 ( -0.833 -4.661 -13.733) 14.527 2.898 ( -4.041 1.324 0.764) 4.321 2.986 ( 4.770 -3.674 -7.413) 9.550 3.085 ( -1.624 -1.077 8.171) 8.400 3.455 ( 1.784 -1.224 4.093) 4.630 3.531 ( -2.692 -7.390 4.115) 8.877 3.634 ( 0.507 -3.672 -3.041) 4.795 3.794 ( 0.393 -15.282 0.088) 15.287 3.950 ( -0.834 -4.662 1.310) 4.913 4.468 ( -0.285 -7.182 3.544) 8.014 4.499 ( 2.729 -9.912 -0.591) 10.297 4.772 ( 2.856 -10.323 0.272) 10.715 4.969 ( -6.008 -4.496 -1.977) 7.760 5.500 ( -0.835 -5.720 -11.394) 12.776 5.592 ( 2.160 -3.956 -4.450) 6.334 5.985 ( 3.949 -2.625 -0.679) 4.790 6.348 ( -7.276 -4.549 1.935) 8.797 6.730 ( 3.211 -1.194 4.693) 5.810 7.236 ( -0.068 -5.563 5.965) 8.156 7.884 ( -0.027 -3.481 -2.517) 4.296 9.095 ( 0.916 1.783 4.026) 4.498 9.242 ( 2.877 8.930 -0.090) 9.382 9.381 ( -3.431 2.162 8.333) 9.267 10.604 ( -2.753 6.955 -2.541) 7.900 11.918 ( 2.188 8.827 1.267) 9.182 12.760 ( 8.927 14.101 -1.730) 16.778 13.331 ( -10.512 12.223 -3.498) 16.497 14.051 ( 0.353 4.532 -1.141) 4.687 14.247 ( 1.448 -17.256 1.532) 17.385 14.687 ( -3.849 5.563 1.596) 6.950 14.912 ( 3.387 9.002 5.573) 11.116 15.234 ( 2.220 1.660 -0.878) 2.907 15.609 ( 5.693 -0.836 -11.998) 13.307 15.857 ( -5.706 -17.474 -8.848) 20.401 16.761 ( -1.801 15.109 11.715) 19.204 17.238 ( 0.012 -18.330 13.245) 22.615 17.403 ( -1.683 10.413 3.088) 10.991 18.079 ( 1.352 23.690 -9.892) 25.708 18.623 ( 2.833 7.089 -10.773) 13.203 19.218 ( -2.560 3.521 -5.139) 6.735 19.816 ( 0.444 -33.686 1.397) 33.718 20.937 ( -0.644 -19.101 8.197) 20.796 21.204 ( 1.862 -31.313 2.882) 31.500 21.466 ( -0.670 -13.828 4.500) 14.557 23.213 ( -1.410 -0.102 -4.196) 4.428 25.558 ( 1.111 5.695 -2.763) 6.427 ======================= Grid point 265 (115/231) ======================= q-point: (-0.38 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -3.590 -23.990 0.507) 24.262 2.485 ( -0.583 -9.977 4.156) 10.824 2.635 ( -7.354 -7.686 -7.349) 12.930 2.883 ( -1.596 -2.975 3.265) 4.696 3.089 ( -0.465 -4.065 7.055) 8.156 3.186 ( 7.646 -7.292 -9.998) 14.546 3.461 ( 1.948 -0.491 1.562) 2.544 3.684 ( 0.850 -6.594 5.910) 8.895 3.799 ( -4.941 -15.023 0.766) 15.833 4.026 ( -0.855 -8.879 7.417) 11.601 4.229 ( 2.845 -20.359 -4.862) 21.124 4.557 ( -1.079 -5.831 7.319) 9.420 4.843 ( 7.350 -16.558 -8.338) 19.943 4.942 ( -15.130 -12.338 -0.522) 19.529 5.137 ( 0.509 -15.932 -0.094) 15.940 5.581 ( -3.361 -4.367 -4.742) 7.270 5.777 ( 2.905 -11.904 -7.645) 14.442 6.135 ( 11.692 -7.061 -0.877) 13.687 6.425 ( -7.096 -8.851 0.340) 11.350 6.804 ( 3.948 -3.619 5.723) 7.838 7.390 ( -0.304 -10.223 4.797) 11.296 7.970 ( -0.565 -5.256 -2.225) 5.735 8.952 ( 1.913 13.223 0.326) 13.365 9.062 ( 1.971 9.517 -2.274) 9.982 9.433 ( -1.037 -8.384 8.202) 11.774 10.426 ( -2.126 8.487 -1.834) 8.939 11.688 ( -0.171 15.386 2.264) 15.553 12.451 ( 5.913 22.003 6.657) 23.737 12.983 ( -7.567 15.482 -7.582) 18.827 13.932 ( -3.580 8.790 -3.568) 10.140 14.099 ( -0.324 20.838 0.946) 20.862 14.550 ( 3.680 18.251 0.547) 18.626 14.998 ( -10.504 -0.985 3.637) 11.159 15.211 ( 3.432 -2.457 -3.542) 5.510 15.526 ( 9.298 -7.480 -1.868) 12.078 16.294 ( -5.106 9.920 4.192) 11.918 16.650 ( 3.198 -31.659 -4.800) 32.180 17.021 ( -1.565 17.277 -0.094) 17.348 17.520 ( -4.781 17.570 -1.548) 18.275 17.796 ( 7.152 -10.696 2.702) 13.148 18.437 ( 3.834 4.907 8.628) 10.640 19.383 ( -2.049 -15.035 -18.219) 23.710 20.506 ( 1.050 -31.783 4.885) 32.173 21.281 ( -1.654 -19.898 6.265) 20.927 21.742 ( 2.686 -28.123 3.609) 28.480 22.100 ( 0.592 -42.075 0.175) 42.080 23.222 ( -1.118 -2.284 -3.644) 4.443 25.417 ( 0.467 8.998 -1.760) 9.181 ======================= Grid point 266 (116/231) ======================= q-point: (-0.31 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -7.888 -12.912 -1.048) 15.167 2.666 ( -10.201 -10.082 5.497) 15.360 2.742 ( -2.558 -9.033 -7.290) 11.886 2.971 ( -1.430 -6.390 1.918) 6.824 3.210 ( 1.436 -7.814 3.822) 8.817 3.379 ( 6.858 -6.001 -8.332) 12.348 3.543 ( 4.538 -5.716 2.204) 7.624 3.805 ( 2.029 -4.962 7.097) 8.894 4.074 ( -10.238 -17.835 3.262) 20.822 4.198 ( -0.127 -9.241 8.693) 12.687 4.617 ( 2.937 -13.473 -2.404) 13.998 4.702 ( 4.273 -10.848 2.941) 12.024 5.082 ( -10.512 -12.961 -6.396) 17.872 5.227 ( 4.355 -16.468 -10.099) 19.803 5.502 ( -2.246 -20.360 -1.610) 20.546 5.662 ( -3.828 -8.830 4.381) 10.574 6.054 ( 0.102 -15.143 -8.395) 17.315 6.400 ( 10.974 -10.053 1.186) 14.930 6.599 ( -0.518 -12.794 -0.724) 12.825 6.928 ( 0.894 -7.278 6.127) 9.555 7.614 ( 0.321 -12.117 2.361) 12.349 8.061 ( -0.923 -4.388 -2.055) 4.933 8.696 ( 4.726 13.876 1.804) 14.770 8.955 ( 1.205 1.915 -2.571) 3.425 9.613 ( -0.742 -9.022 2.704) 9.447 10.289 ( -2.674 2.665 0.827) 3.865 11.345 ( -3.591 17.450 2.439) 17.982 12.056 ( 4.157 21.438 11.019) 24.460 12.643 ( -3.326 15.095 -9.214) 17.995 13.517 ( -10.505 21.504 -1.592) 23.985 13.844 ( 0.379 10.831 0.997) 10.884 14.177 ( 7.033 21.831 0.261) 22.938 14.743 ( -10.331 14.177 -2.099) 17.667 15.086 ( 4.058 10.571 -6.006) 12.818 15.670 ( 5.218 18.062 1.485) 18.859 16.226 ( -10.416 -7.218 6.682) 14.327 16.743 ( 4.522 4.716 -2.883) 7.141 16.950 ( 1.475 6.473 0.863) 6.694 17.534 ( -1.986 -22.931 -4.957) 23.545 18.029 ( 12.464 -8.231 -2.435) 15.133 18.552 ( 2.440 -10.617 12.844) 16.842 19.640 ( -1.032 -12.074 -14.330) 18.767 20.997 ( -0.933 -19.888 5.370) 20.622 21.683 ( -2.587 -21.856 1.583) 22.065 22.442 ( 4.013 -38.454 3.671) 38.837 22.866 ( 0.241 -33.632 -1.047) 33.650 23.322 ( -0.053 -10.877 -2.404) 11.140 25.236 ( -0.663 9.120 -0.691) 9.170 ======================= Grid point 267 (117/231) ======================= q-point: (-0.23 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -9.434 -6.394 2.801) 11.736 2.716 ( -14.358 -5.256 1.278) 15.343 2.916 ( -0.418 -8.613 -3.176) 9.190 3.095 ( -0.930 -7.017 -2.008) 7.358 3.371 ( 1.379 -6.640 0.349) 6.791 3.505 ( 4.411 -3.105 -4.353) 6.931 3.725 ( 6.004 -7.843 2.813) 10.270 3.908 ( 2.413 -3.923 8.359) 9.544 4.312 ( -13.160 -15.126 3.063) 20.282 4.382 ( 3.524 -8.170 7.506) 11.641 4.777 ( -0.732 -6.206 3.065) 6.961 5.026 ( 13.060 -11.258 -1.301) 17.291 5.242 ( -2.106 -8.297 -11.870) 14.634 5.525 ( -7.018 -15.026 -10.685) 19.728 5.795 ( 0.000 -12.410 -1.611) 12.514 5.943 ( -6.219 -19.870 3.421) 21.100 6.350 ( 3.770 -13.811 -5.379) 15.294 6.643 ( 2.349 -10.565 8.002) 13.460 6.911 ( 5.821 -15.498 -3.823) 16.991 7.096 ( -1.481 -10.240 6.336) 12.133 7.821 ( 1.632 -6.891 -1.770) 7.300 8.128 ( -1.280 -4.187 -1.038) 4.500 8.546 ( 7.326 4.946 3.244) 9.415 9.008 ( 0.613 -6.186 -3.488) 7.128 9.737 ( -1.713 -5.034 1.663) 5.571 10.296 ( -4.332 -5.119 3.479) 7.555 11.019 ( -4.799 11.786 2.055) 12.890 11.711 ( 5.106 17.375 10.528) 20.948 12.361 ( 0.816 12.812 -7.641) 14.940 13.113 ( -13.119 9.559 -1.734) 16.325 13.584 ( -2.246 14.353 0.080) 14.528 13.855 ( 9.286 18.113 2.658) 20.528 14.385 ( -7.425 14.689 -5.310) 17.294 14.879 ( 1.021 14.170 -6.057) 15.444 15.297 ( 4.593 19.410 1.305) 19.989 15.991 ( -8.148 13.847 4.550) 16.698 16.488 ( -3.101 18.039 1.297) 18.350 17.318 ( 6.387 -24.626 -1.580) 25.489 17.778 ( 2.958 -5.605 -1.236) 6.457 18.349 ( 7.438 -11.609 -3.458) 14.214 18.818 ( 4.113 -14.234 9.106) 17.391 19.825 ( -0.576 -7.800 -9.880) 12.601 21.315 ( -2.138 -14.620 3.733) 15.240 22.039 ( -3.992 -16.617 -0.193) 17.090 23.120 ( 1.069 -23.104 3.845) 23.446 23.315 ( 1.455 -19.786 -3.195) 20.095 23.747 ( 1.529 -27.873 -0.352) 27.918 25.070 ( -1.117 7.063 0.284) 7.156 ======================= Grid point 268 (118/231) ======================= q-point: (-0.15 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -7.251 -3.737 4.987) 9.561 2.685 ( -12.325 -2.321 2.359) 12.761 3.051 ( -1.130 -5.845 -2.654) 6.518 3.210 ( 0.236 -4.641 -4.559) 6.510 3.464 ( 0.538 -2.199 -2.198) 3.156 3.571 ( 2.282 -1.362 -2.671) 3.768 3.895 ( 3.552 -5.223 4.969) 8.036 3.997 ( 4.203 -2.824 6.773) 8.457 4.463 ( -11.618 -9.914 3.283) 15.622 4.552 ( 5.086 -5.652 5.730) 9.521 4.874 ( -0.113 -4.191 1.200) 4.361 5.278 ( 14.511 -4.212 0.989) 15.142 5.386 ( 2.816 -6.323 -11.429) 13.362 5.709 ( -13.032 -11.672 -9.177) 19.756 6.005 ( 1.871 -7.835 -5.011) 9.487 6.211 ( -9.163 -12.974 -4.171) 16.422 6.628 ( 7.532 -9.822 5.702) 13.628 6.862 ( -0.560 -10.866 7.581) 13.262 7.190 ( -3.964 -11.344 0.551) 12.029 7.314 ( 5.105 -10.314 1.949) 11.672 7.874 ( 1.732 1.327 -2.559) 3.363 8.232 ( 0.019 -6.070 -2.571) 6.592 8.607 ( 7.664 -4.304 3.231) 9.365 9.168 ( -0.307 -8.993 -3.279) 9.577 9.801 ( -2.656 -3.106 2.286) 4.683 10.381 ( -6.317 -7.151 6.722) 11.672 10.830 ( -2.595 5.745 2.478) 6.773 11.484 ( 7.216 9.978 6.721) 14.028 12.156 ( 2.863 9.769 -8.149) 13.040 12.967 ( -12.351 -2.539 -3.950) 13.213 13.329 ( -2.706 8.112 2.676) 8.960 13.595 ( 6.327 13.787 4.073) 15.707 14.075 ( -0.854 14.571 -4.055) 15.149 14.543 ( -2.530 18.065 -5.828) 19.149 15.042 ( 3.550 10.500 -0.196) 11.086 15.719 ( -3.587 9.289 3.729) 10.632 16.130 ( -2.521 15.440 1.271) 15.696 17.646 ( -2.154 -7.092 -2.596) 7.853 17.979 ( 9.283 -10.778 0.070) 14.225 18.527 ( 2.328 -4.700 0.460) 5.265 19.111 ( 4.225 -10.995 3.168) 12.197 19.938 ( -0.366 -4.464 -6.528) 7.917 21.532 ( -2.664 -9.393 2.039) 9.974 22.258 ( -4.731 -9.476 -0.451) 10.601 23.359 ( 0.537 -7.020 0.309) 7.047 23.756 ( 1.451 -19.057 -0.170) 19.113 24.229 ( 1.061 -19.192 -0.215) 19.223 24.951 ( -0.597 4.573 1.126) 4.747 ======================= Grid point 269 (119/231) ======================= q-point: (-0.08 -0.54 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -6.560 -0.155 4.984) 8.240 2.657 ( -2.894 -0.720 5.595) 6.341 3.125 ( -1.033 -2.604 -3.358) 4.373 3.269 ( 0.562 -1.301 -5.262) 5.450 3.468 ( 0.086 1.895 -4.111) 4.528 3.601 ( 0.135 -1.085 -1.647) 1.977 3.975 ( 1.195 -1.602 6.309) 6.618 4.073 ( 5.165 -0.933 4.418) 6.860 4.528 ( -7.871 -4.163 4.252) 9.867 4.658 ( 4.521 -1.224 4.406) 6.430 4.936 ( 0.297 -1.949 0.096) 1.974 5.412 ( 11.650 0.270 -2.546) 11.928 5.502 ( 5.528 -2.129 -4.723) 7.576 5.779 ( -12.037 -5.103 -9.004) 15.874 6.114 ( -2.173 -3.515 -7.740) 8.774 6.316 ( -5.955 -3.953 -7.887) 10.644 6.811 ( 4.762 -3.831 13.210) 14.555 7.025 ( 1.038 -4.791 4.726) 6.809 7.308 ( -5.981 -4.589 4.399) 8.729 7.498 ( 4.601 -3.851 -1.104) 6.101 7.855 ( 0.346 0.573 -0.887) 1.111 8.315 ( 0.271 -1.712 -6.593) 6.817 8.773 ( 5.740 -6.394 3.624) 9.325 9.292 ( -2.144 -3.161 -0.453) 3.847 9.815 ( -0.283 0.099 0.975) 1.020 10.469 ( -5.640 -5.231 10.991) 13.416 10.720 ( 1.032 4.962 2.849) 5.814 11.423 ( 5.246 3.151 0.223) 6.124 12.044 ( 2.323 2.206 -10.748) 11.215 12.928 ( -0.509 2.213 -3.102) 3.844 13.252 ( -2.685 1.425 7.770) 8.343 13.469 ( -3.997 -0.124 2.916) 4.949 13.833 ( 3.301 8.139 -3.149) 9.331 14.238 ( -2.508 8.771 -2.860) 9.560 14.924 ( 0.926 3.489 -3.559) 5.069 15.578 ( -0.389 3.872 3.206) 5.042 15.901 ( -1.188 5.987 0.939) 6.175 17.694 ( -0.782 -0.798 -2.197) 2.465 18.200 ( 3.318 -5.810 -0.270) 6.696 18.605 ( 0.933 -2.260 1.840) 3.060 19.277 ( 1.509 -3.905 0.461) 4.212 19.994 ( -0.157 -1.488 -4.548) 4.787 21.636 ( -2.479 -3.319 1.135) 4.295 22.346 ( -3.473 -2.921 -0.269) 4.546 23.454 ( 1.346 -2.098 -0.533) 2.549 24.013 ( 0.750 -6.408 0.277) 6.458 24.486 ( 0.195 -6.975 -0.435) 6.991 24.882 ( 0.469 2.602 1.717) 3.152 ======================= Grid point 277 (120/231) ======================= q-point: (-0.46 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -3.454 -0.000 13.037) 13.487 2.261 ( -4.019 -0.000 12.017) 12.672 2.504 ( 0.050 0.000 -18.392) 18.392 2.844 ( -6.193 -0.000 -6.407) 8.910 3.046 ( -3.712 -0.000 9.092) 9.821 3.052 ( 10.170 0.000 -3.270) 10.683 3.409 ( -2.107 -0.000 7.997) 8.270 3.472 ( 3.296 0.000 -2.367) 4.058 3.585 ( -4.313 -0.000 1.435) 4.545 3.642 ( 1.491 0.000 1.599) 2.186 3.938 ( 2.006 0.000 -0.481) 2.063 4.345 ( 4.725 0.000 -8.142) 9.414 4.456 ( 0.410 0.000 10.362) 10.370 4.627 ( -14.112 -0.000 2.371) 14.310 4.875 ( -5.748 -0.000 -4.661) 7.400 5.444 ( 1.120 0.000 -12.144) 12.195 5.596 ( 6.282 0.000 -3.676) 7.279 6.013 ( 10.161 0.000 -2.214) 10.400 6.246 ( -7.965 -0.000 4.577) 9.187 6.750 ( 4.809 0.000 3.852) 6.161 7.179 ( -0.825 -0.000 6.302) 6.356 7.847 ( -0.400 -0.000 -2.652) 2.682 9.109 ( 1.487 0.000 10.950) 11.050 9.347 ( 1.220 0.000 4.111) 4.288 9.413 ( 0.297 0.000 0.755) 0.811 10.654 ( -2.956 -0.000 -2.866) 4.117 12.022 ( 1.801 0.000 1.379) 2.269 12.975 ( 9.463 0.000 -4.331) 10.407 13.378 ( -11.212 -0.000 -3.657) 11.793 13.979 ( -0.119 -0.000 5.771) 5.772 14.097 ( -1.350 -0.000 -1.258) 1.845 14.838 ( -0.167 -0.000 1.827) 1.835 15.061 ( 0.215 0.000 -13.382) 13.383 15.136 ( 1.018 0.000 4.673) 4.782 15.469 ( 1.300 0.000 -0.719) 1.486 15.883 ( 2.444 0.000 -11.133) 11.398 16.924 ( -2.361 -0.000 13.884) 14.083 16.946 ( -0.068 -0.000 17.540) 17.540 17.582 ( -1.881 -0.000 -0.923) 2.095 18.314 ( 0.227 0.000 -17.418) 17.419 18.746 ( 5.061 0.000 -16.336) 17.102 19.170 ( -0.123 -0.000 8.119) 8.120 19.622 ( -2.573 -0.000 -0.828) 2.702 20.533 ( 0.023 0.000 -0.645) 0.645 20.964 ( 2.869 0.000 12.850) 13.166 21.359 ( 0.683 0.000 4.733) 4.782 23.202 ( -1.622 -0.000 -4.818) 5.084 25.627 ( 1.717 0.000 -2.996) 3.453 ======================= Grid point 278 (121/231) ======================= q-point: (-0.38 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -5.611 -23.601 7.734) 25.461 2.282 ( -9.615 -7.059 12.168) 17.039 2.502 ( -2.974 -1.505 -16.274) 16.612 2.829 ( -3.200 -1.510 -3.724) 5.137 3.038 ( -0.592 -1.453 8.267) 8.415 3.136 ( 9.017 -2.866 -5.530) 10.960 3.451 ( -8.671 -6.596 -0.874) 10.930 3.503 ( 4.062 -0.598 8.584) 9.516 3.644 ( 2.979 -5.931 0.963) 6.707 3.809 ( 1.522 -14.262 0.090) 14.343 3.954 ( -0.477 -4.058 1.377) 4.312 4.429 ( -13.182 -6.179 3.637) 15.006 4.554 ( -6.953 -11.189 2.457) 13.401 4.641 ( 4.498 -10.028 -5.502) 12.291 4.917 ( -1.300 -7.150 -3.498) 8.065 5.494 ( 0.575 -3.580 -11.197) 11.769 5.656 ( 2.721 -3.289 -2.762) 5.084 6.123 ( 7.333 -3.973 -4.429) 9.443 6.252 ( 1.113 -3.965 6.863) 8.004 6.796 ( 4.877 -0.971 3.710) 6.204 7.227 ( -1.283 -5.755 5.911) 8.349 7.877 ( -0.835 -3.419 -2.527) 4.333 9.115 ( 1.766 2.336 4.913) 5.719 9.294 ( 2.937 7.066 4.415) 8.834 9.354 ( 0.774 3.644 4.296) 5.686 10.564 ( -2.689 6.499 -3.356) 7.793 11.936 ( 0.168 9.612 1.925) 9.804 12.880 ( 7.020 15.711 2.154) 17.342 13.178 ( -9.678 10.893 -7.032) 16.180 14.030 ( -3.725 4.696 -3.516) 6.949 14.263 ( 1.158 -18.590 1.840) 18.717 14.622 ( -4.788 8.862 3.230) 10.578 14.916 ( -2.648 9.073 3.492) 10.076 15.276 ( 2.678 2.094 1.829) 3.861 15.674 ( 3.485 -4.706 -9.268) 10.963 15.861 ( 6.662 -15.589 -12.091) 20.822 16.734 ( -1.954 14.700 11.764) 18.928 17.218 ( -2.838 -13.630 12.861) 18.954 17.408 ( 2.123 5.639 2.604) 6.564 18.093 ( 0.722 22.949 -9.851) 24.985 18.665 ( 3.299 5.767 -9.696) 11.754 19.194 ( -0.417 5.798 -4.268) 7.211 19.829 ( 1.206 -35.381 0.699) 35.409 20.922 ( -1.734 -19.441 7.132) 20.781 21.239 ( 2.397 -29.827 3.901) 30.176 21.483 ( 3.364 -14.107 4.314) 15.131 23.190 ( -1.649 -0.306 -4.903) 5.182 25.577 ( 1.440 6.274 -2.587) 6.938 ======================= Grid point 279 (122/231) ======================= q-point: (-0.31 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -8.694 -22.782 0.591) 24.391 2.376 ( -13.777 -10.626 10.957) 20.562 2.552 ( -3.108 -6.855 -13.362) 15.336 2.856 ( -2.596 -3.712 -0.941) 4.627 3.104 ( 2.588 -4.666 6.790) 8.635 3.299 ( 6.948 -7.243 -7.691) 12.645 3.485 ( -1.116 -3.332 1.693) 3.901 3.657 ( -3.072 -11.549 6.869) 13.784 3.777 ( 2.778 -5.524 3.993) 7.361 3.982 ( -7.125 -9.830 8.574) 14.863 4.274 ( 2.159 -22.548 -5.604) 23.335 4.502 ( -8.698 -10.380 5.344) 14.559 4.704 ( -7.145 -12.147 2.785) 14.365 4.997 ( 10.317 -16.540 -13.839) 23.906 5.123 ( -2.217 -14.911 -4.133) 15.632 5.548 ( -1.231 -2.615 -4.790) 5.594 5.807 ( 2.263 -10.733 -3.655) 11.562 6.257 ( -4.366 -9.378 1.131) 10.406 6.426 ( 14.460 -7.160 0.902) 16.161 6.856 ( 2.903 -2.278 4.855) 6.098 7.382 ( -1.031 -10.798 4.544) 11.761 7.957 ( -1.036 -5.269 -2.396) 5.881 8.994 ( 3.463 11.163 0.113) 11.689 9.110 ( 4.614 11.952 -1.137) 12.862 9.421 ( -0.632 -8.631 9.300) 12.703 10.391 ( -2.711 8.426 -2.471) 9.190 11.660 ( -3.757 17.091 2.488) 17.675 12.517 ( 2.561 23.067 10.220) 25.360 12.883 ( -5.776 12.953 -11.204) 18.074 13.811 ( -12.609 14.982 -6.593) 20.662 14.098 ( -0.054 16.486 3.928) 16.947 14.600 ( 2.608 15.443 1.872) 15.773 14.836 ( -10.140 -1.001 0.513) 10.202 15.277 ( 5.404 2.309 -2.695) 6.465 15.664 ( 9.029 -11.046 -0.753) 14.286 16.236 ( -2.784 12.818 2.875) 13.428 16.698 ( 3.160 -28.449 -3.958) 28.896 17.016 ( 0.455 15.725 -0.533) 15.741 17.465 ( -1.529 13.280 1.018) 13.406 17.921 ( 9.407 -11.919 0.490) 15.192 18.511 ( 5.885 6.007 9.827) 12.934 19.353 ( -1.642 -15.260 -17.582) 23.338 20.521 ( 1.124 -30.542 4.053) 30.830 21.246 ( -3.109 -19.559 5.431) 20.535 21.807 ( 5.468 -28.912 3.686) 29.655 22.118 ( 2.307 -41.120 0.346) 41.186 23.203 ( -1.505 -2.801 -4.298) 5.347 25.417 ( -0.528 9.895 -1.661) 10.047 ======================= Grid point 280 (123/231) ======================= q-point: (-0.23 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -12.124 -12.612 1.602) 17.567 2.467 ( -15.367 -9.075 4.629) 18.437 2.709 ( -2.977 -10.615 -8.833) 14.127 2.939 ( -2.796 -6.996 -2.980) 8.102 3.252 ( 4.197 -7.325 4.545) 9.588 3.471 ( 5.544 -4.622 -3.996) 8.250 3.599 ( 1.219 -8.482 2.003) 8.800 3.834 ( -0.140 -7.236 8.577) 11.222 3.937 ( -5.311 -12.288 5.601) 14.511 4.166 ( -5.855 -13.575 9.266) 17.447 4.623 ( -1.008 -9.652 0.410) 9.713 4.773 ( 1.087 -21.807 -2.763) 22.009 4.933 ( -1.718 -14.188 0.022) 14.291 5.332 ( 6.444 -8.725 -16.567) 19.802 5.428 ( -7.779 -20.066 -8.935) 23.302 5.655 ( 3.987 -10.022 1.336) 10.868 6.087 ( 4.225 -15.282 -1.911) 15.970 6.433 ( -4.105 -11.730 5.250) 13.491 6.698 ( 9.951 -10.427 -2.080) 14.563 6.941 ( 1.764 -5.558 6.549) 8.769 7.616 ( -0.141 -13.199 2.279) 13.395 8.050 ( -0.336 -4.461 -2.258) 5.011 8.782 ( 6.503 12.797 1.007) 14.390 8.983 ( 2.756 3.139 -1.677) 4.501 9.601 ( -0.939 -8.660 4.030) 9.598 10.241 ( -4.007 3.353 0.817) 5.289 11.262 ( -7.718 17.967 2.564) 19.722 12.105 ( 2.138 20.242 11.157) 23.211 12.600 ( -2.936 12.467 -10.035) 16.271 13.310 ( -17.285 20.777 -3.854) 27.300 13.833 ( -1.745 13.106 2.627) 13.481 14.282 ( 5.994 18.667 2.195) 19.728 14.602 ( -7.397 13.105 -3.096) 15.364 15.148 ( 5.051 11.607 -6.587) 14.270 15.740 ( 3.931 20.761 0.134) 21.131 16.075 ( -10.074 -1.386 7.376) 12.563 16.770 ( -1.148 12.256 -1.582) 12.411 17.003 ( 5.795 -10.049 -2.411) 11.848 17.577 ( 8.190 -17.327 -1.181) 19.201 18.229 ( 14.646 -9.083 -3.518) 17.590 18.596 ( 3.175 -10.032 12.940) 16.678 19.619 ( -1.450 -12.692 -12.973) 18.207 20.985 ( -0.438 -18.680 4.620) 19.248 21.639 ( -3.109 -21.479 0.801) 21.718 22.508 ( 4.021 -36.560 3.889) 36.985 22.882 ( 2.525 -32.575 -1.054) 32.689 23.320 ( -0.395 -12.755 -2.958) 13.099 25.213 ( -2.599 9.287 -0.574) 9.661 ======================= Grid point 281 (124/231) ======================= q-point: (-0.15 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -11.381 -8.308 4.184) 14.699 2.501 ( -13.886 -6.513 3.190) 15.666 2.883 ( -3.622 -9.438 -6.095) 11.804 3.077 ( -1.605 -8.281 -6.515) 10.658 3.409 ( 3.659 -4.904 1.858) 6.395 3.564 ( 3.435 -2.024 -0.945) 4.097 3.784 ( 1.356 -8.261 3.171) 8.952 3.950 ( 0.694 -4.843 9.693) 10.858 4.152 ( -5.919 -13.503 3.824) 15.231 4.394 ( -3.342 -12.530 8.310) 15.402 4.769 ( -0.025 -6.428 1.246) 6.547 5.152 ( -6.864 -16.749 -7.115) 19.449 5.214 ( 9.691 -12.012 -1.694) 15.526 5.470 ( 2.001 -5.746 -7.628) 9.757 5.747 ( -8.087 -17.927 -11.190) 22.627 5.947 ( 7.548 -12.437 -7.291) 16.273 6.436 ( 6.734 -15.548 2.232) 17.090 6.638 ( -1.686 -11.361 8.230) 14.129 6.924 ( -4.211 -10.890 4.010) 12.345 7.135 ( 5.560 -10.832 1.785) 12.306 7.852 ( 2.482 -8.633 -0.881) 9.026 8.122 ( 0.687 -3.487 -0.574) 3.600 8.656 ( 7.050 4.367 0.968) 8.350 9.024 ( 1.676 -5.086 -2.350) 5.848 9.707 ( -2.554 -4.043 1.420) 4.989 10.221 ( -6.067 -4.190 5.537) 9.221 10.925 ( -7.830 9.594 1.693) 12.499 11.784 ( 4.461 15.288 9.388) 18.487 12.373 ( 0.052 9.802 -9.059) 13.347 12.866 ( -19.629 9.090 -2.482) 21.773 13.544 ( -2.920 14.002 1.891) 14.428 13.964 ( 3.920 18.123 3.489) 18.868 14.331 ( 1.411 11.857 -5.254) 13.045 14.900 ( 2.486 17.725 -6.426) 19.017 15.350 ( 2.212 18.886 0.030) 19.015 15.872 ( -7.596 9.789 5.661) 13.623 16.440 ( -3.340 17.665 0.791) 17.996 17.396 ( 3.865 -17.464 -2.857) 18.113 17.884 ( 11.596 -8.659 0.584) 14.484 18.456 ( 6.760 -5.329 -1.574) 8.751 18.896 ( 6.426 -14.956 6.572) 17.555 19.811 ( -1.122 -8.265 -8.317) 11.779 21.292 ( -0.586 -13.840 2.872) 14.147 21.982 ( -3.159 -15.878 -0.441) 16.195 23.116 ( -1.676 -20.728 3.080) 21.022 23.349 ( 2.856 -20.852 -2.507) 21.195 23.774 ( 2.242 -27.844 -0.650) 27.941 25.039 ( -3.306 6.204 0.428) 7.043 ======================= Grid point 282 (125/231) ======================= q-point: (-0.08 -0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -10.176 -5.977 4.264) 12.548 2.558 ( -5.440 -6.213 5.888) 10.142 3.016 ( -3.088 -6.821 -5.596) 9.347 3.206 ( -0.798 -5.544 -7.167) 9.096 3.482 ( 1.881 -0.734 -0.508) 2.082 3.604 ( 2.082 -0.068 -1.540) 2.590 3.915 ( -0.276 -4.857 6.434) 8.067 4.041 ( -1.365 -4.471 6.296) 7.841 4.354 ( -1.048 -9.520 4.242) 10.475 4.580 ( -2.368 -8.423 6.424) 10.854 4.875 ( 0.444 -4.290 -0.304) 4.323 5.347 ( -6.288 -9.192 -6.312) 12.802 5.442 ( -0.955 -7.350 -4.196) 8.517 5.643 ( 12.653 -6.100 -1.294) 14.106 5.974 ( -4.870 -10.000 -14.270) 18.093 6.180 ( 2.550 -7.572 -10.138) 12.908 6.724 ( 4.420 -8.621 10.375) 14.195 6.868 ( 2.950 -11.931 6.038) 13.693 7.098 ( -7.187 -11.239 6.890) 15.014 7.367 ( 0.677 -9.572 -1.502) 9.713 7.937 ( 6.675 2.361 -0.874) 7.134 8.231 ( -0.046 -6.530 -1.884) 6.797 8.707 ( 5.538 -3.740 0.483) 6.700 9.168 ( 0.550 -7.672 -1.426) 7.823 9.755 ( -3.751 -3.802 0.401) 5.355 10.279 ( -7.521 -6.903 10.007) 14.295 10.779 ( -4.402 2.065 0.784) 4.925 11.586 ( 6.105 9.234 6.001) 12.591 12.194 ( 2.151 9.820 -10.491) 14.530 12.717 ( -20.504 -8.471 -2.075) 22.282 13.293 ( -1.926 8.961 3.640) 9.862 13.670 ( 3.250 13.696 2.977) 14.388 14.136 ( 8.833 13.158 -3.011) 16.132 14.514 ( -0.903 20.578 -4.646) 21.115 15.069 ( 0.189 11.225 -2.107) 11.423 15.676 ( -2.220 6.571 4.604) 8.325 16.093 ( -2.424 14.625 0.724) 14.843 17.622 ( -1.073 -6.255 -2.291) 6.747 18.125 ( 10.173 -6.599 0.270) 12.129 18.564 ( 2.688 -3.126 1.012) 4.245 19.177 ( 4.573 -8.740 1.804) 10.028 19.930 ( -0.594 -4.852 -5.380) 7.269 21.510 ( 0.036 -8.675 1.452) 8.796 22.207 ( -1.796 -9.378 -0.374) 9.556 23.351 ( -1.775 -8.447 0.037) 8.631 23.774 ( 0.753 -18.241 -0.106) 18.256 24.247 ( 1.430 -18.190 -0.418) 18.251 24.927 ( -2.843 3.103 1.274) 4.397 ======================= Grid point 291 (126/231) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -8.225 -0.000 13.620) 15.911 2.113 ( -15.630 -0.000 14.357) 21.224 2.481 ( -2.637 -0.000 -19.082) 19.263 2.795 ( -0.625 -0.000 -6.545) 6.575 2.992 ( -3.490 -0.000 9.945) 10.540 3.196 ( 5.552 0.000 -4.286) 7.014 3.346 ( -3.080 -0.000 -1.227) 3.315 3.527 ( 3.755 0.000 -2.900) 4.745 3.554 ( 0.945 0.000 13.774) 13.806 3.682 ( 3.928 0.000 2.200) 4.502 3.991 ( 4.788 0.000 -0.307) 4.798 4.080 ( -38.133 -0.000 0.135) 38.133 4.484 ( 3.192 0.000 9.817) 10.323 4.590 ( 9.285 0.000 -14.322) 17.069 4.839 ( -0.112 -0.000 -3.139) 3.141 5.467 ( 2.305 0.000 -12.064) 12.282 5.640 ( 0.009 0.000 -0.692) 0.693 6.053 ( -8.327 -0.000 1.180) 8.410 6.320 ( 19.412 0.000 3.453) 19.716 6.826 ( 5.039 0.000 2.442) 5.600 7.158 ( -2.167 -0.000 6.324) 6.685 7.835 ( -1.200 -0.000 -2.571) 2.837 9.136 ( 1.922 0.000 15.301) 15.421 9.344 ( -0.160 -0.000 6.679) 6.681 9.477 ( 6.768 0.000 -3.062) 7.429 10.607 ( -3.540 -0.000 -3.838) 5.221 12.038 ( 0.122 0.000 1.967) 1.971 13.081 ( 2.360 0.000 0.189) 2.368 13.247 ( -3.839 -0.000 -6.676) 7.701 13.978 ( -0.120 -0.000 5.737) 5.738 14.056 ( -4.152 -0.000 -5.420) 6.828 14.832 ( -1.379 -0.000 3.988) 4.220 15.033 ( -10.713 -0.000 6.277) 12.417 15.062 ( 0.291 0.000 -13.356) 13.359 15.605 ( 13.836 0.000 -0.550) 13.847 15.937 ( 5.091 0.000 -11.515) 12.590 16.888 ( -2.726 -0.000 13.238) 13.516 16.949 ( 0.012 0.000 17.580) 17.580 17.554 ( -1.733 -0.000 -1.355) 2.200 18.315 ( 0.381 0.000 -17.502) 17.506 18.820 ( 5.513 0.000 -15.193) 16.162 19.169 ( -0.139 -0.000 8.167) 8.169 19.600 ( -0.566 -0.000 -0.481) 0.743 20.533 ( 0.019 0.000 -0.646) 0.646 20.998 ( 0.766 0.000 12.537) 12.560 21.403 ( 5.609 0.000 4.279) 7.055 23.174 ( -2.140 -0.000 -5.792) 6.175 25.658 ( 2.584 0.000 -3.087) 4.025 ======================= Grid point 292 (127/231) ======================= q-point: (-0.31 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -9.317 -23.733 7.737) 26.645 2.070 ( -18.088 -8.105 14.716) 24.686 2.455 ( -3.411 -0.926 -17.980) 18.324 2.794 ( -2.169 -0.713 -4.308) 4.876 3.039 ( 0.720 -4.795 9.047) 10.265 3.208 ( -4.393 -3.280 -2.765) 6.140 3.363 ( 2.328 -3.122 -3.923) 5.528 3.564 ( 2.595 -2.465 14.369) 14.808 3.716 ( -1.022 -4.912 0.466) 5.038 3.742 ( -18.637 -3.490 3.411) 19.265 3.875 ( 0.865 -16.271 -0.967) 16.323 4.188 ( -4.755 -12.565 0.198) 13.436 4.556 ( 3.893 -4.448 8.344) 10.225 4.740 ( -1.070 -10.944 -17.565) 20.723 4.937 ( 8.390 -7.480 -6.493) 12.980 5.507 ( 1.336 -1.736 -9.991) 10.228 5.674 ( 0.718 -4.518 1.297) 4.755 6.045 ( -8.787 -5.912 5.392) 11.884 6.481 ( 19.367 -1.601 0.213) 19.434 6.861 ( 3.883 -0.161 2.750) 4.760 7.202 ( -2.301 -6.208 5.725) 8.753 7.859 ( -1.443 -3.469 -2.507) 4.516 9.148 ( 2.427 2.090 8.553) 9.133 9.311 ( 0.940 2.241 11.823) 12.070 9.424 ( 7.102 9.373 -2.605) 12.045 10.517 ( -3.914 6.005 -4.143) 8.280 11.921 ( -2.385 11.249 2.307) 11.729 12.934 ( -1.655 15.164 8.844) 17.632 13.073 ( -2.947 12.777 -12.259) 17.951 13.931 ( -9.473 7.215 -7.316) 13.976 14.288 ( 2.139 -15.847 1.851) 16.098 14.548 ( -5.550 7.948 3.856) 10.433 14.871 ( -2.192 7.949 4.583) 9.434 15.303 ( 1.195 -5.704 -0.462) 5.847 15.731 ( 4.587 2.195 -6.435) 8.202 16.014 ( 13.264 -15.833 -11.394) 23.589 16.711 ( -1.357 13.236 11.255) 17.427 17.170 ( -3.657 -8.189 12.067) 15.034 17.457 ( 4.240 -0.423 2.597) 4.990 18.096 ( 0.078 21.101 -10.089) 23.389 18.717 ( 3.957 2.958 -8.818) 10.108 19.207 ( 2.208 8.589 -1.153) 8.943 19.854 ( 2.405 -36.570 -1.334) 36.674 20.886 ( -3.295 -18.297 6.642) 19.742 21.260 ( 0.061 -30.009 3.988) 30.273 21.576 ( 9.163 -14.348 3.844) 17.453 23.159 ( -2.663 -0.513 -5.966) 6.554 25.597 ( 1.255 7.762 -2.835) 8.358 ======================= Grid point 293 (128/231) ======================= q-point: (-0.23 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -12.305 -20.859 1.159) 24.246 2.144 ( -17.200 -11.783 11.378) 23.752 2.502 ( -3.958 -7.079 -15.272) 17.291 2.807 ( -3.942 -3.620 -4.438) 6.953 3.155 ( 2.704 -6.040 7.176) 9.762 3.311 ( -5.965 -11.288 0.720) 12.788 3.460 ( -1.660 -5.448 0.103) 5.696 3.660 ( -2.809 -7.163 10.423) 12.955 3.689 ( -13.591 -11.231 9.881) 20.211 3.912 ( 4.633 -7.185 2.707) 8.967 4.294 ( 2.642 -22.133 -5.586) 22.979 4.430 ( 0.199 -13.941 1.110) 13.986 4.718 ( 4.779 -9.358 4.467) 11.417 4.980 ( -8.521 -17.910 -13.253) 23.854 5.205 ( 9.176 -10.814 -18.029) 22.939 5.553 ( 2.883 -3.561 -2.541) 5.239 5.851 ( 3.807 -11.694 1.789) 12.427 6.155 ( -7.201 -11.259 7.467) 15.309 6.656 ( 13.036 -3.592 -1.661) 13.624 6.898 ( 3.705 -1.474 4.317) 5.877 7.361 ( -1.881 -11.534 4.200) 12.418 7.941 ( -0.970 -5.725 -2.659) 6.387 9.046 ( 3.562 9.351 0.101) 10.007 9.192 ( 6.282 13.170 0.917) 14.621 9.423 ( 0.871 -7.261 11.159) 13.342 10.340 ( -4.437 8.372 -2.920) 9.915 11.581 ( -6.916 19.513 2.998) 20.918 12.525 ( -1.740 22.548 10.062) 24.752 12.798 ( -6.720 11.939 -10.524) 17.276 13.580 ( -17.560 18.660 -7.409) 26.673 14.090 ( -1.209 14.986 3.091) 15.349 14.598 ( -4.408 9.998 7.263) 13.120 14.747 ( -0.446 4.080 -5.759) 7.072 15.370 ( 7.337 4.206 -3.333) 9.090 15.781 ( 6.696 -11.632 1.940) 13.561 16.212 ( -0.673 16.545 0.415) 16.564 16.739 ( 2.650 -19.765 -3.956) 20.331 17.016 ( -1.062 12.073 1.301) 12.189 17.508 ( 8.059 4.247 1.614) 9.252 18.067 ( 10.467 -16.472 -0.223) 19.517 18.611 ( 7.670 7.749 9.725) 14.610 19.328 ( -1.548 -14.448 -15.069) 20.934 20.551 ( 3.432 -28.760 2.630) 29.083 21.197 ( -3.491 -20.235 4.295) 20.978 21.876 ( 2.936 -31.001 3.028) 31.286 22.186 ( 7.501 -38.261 0.966) 39.001 23.170 ( -3.176 -3.481 -5.427) 7.187 25.395 ( -2.682 11.503 -1.718) 11.935 ======================= Grid point 294 (129/231) ======================= q-point: (-0.15 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -14.053 -13.251 3.058) 19.555 2.232 ( -16.406 -9.918 6.082) 20.113 2.649 ( -4.756 -10.716 -11.655) 16.532 2.891 ( -3.641 -8.017 -8.120) 11.978 3.323 ( 4.400 -7.737 5.444) 10.433 3.499 ( -3.415 -8.668 4.208) 10.223 3.586 ( -0.625 -9.621 0.203) 9.644 3.804 ( -1.704 -7.250 15.039) 16.782 3.863 ( -11.603 -16.087 8.052) 21.407 4.097 ( 2.106 -10.071 3.235) 10.785 4.623 ( 1.753 -10.017 -1.525) 10.283 4.773 ( 1.260 -18.908 -3.756) 19.319 4.996 ( 5.343 -14.708 -1.827) 15.755 5.299 ( -7.946 -20.706 -13.074) 25.745 5.394 ( 3.121 -5.848 -11.494) 13.268 5.766 ( 9.448 -12.263 -9.168) 17.992 6.163 ( 5.860 -16.333 4.721) 17.983 6.363 ( -4.772 -14.158 8.452) 17.165 6.773 ( 0.231 -3.463 2.916) 4.533 7.014 ( 7.291 -6.211 1.736) 9.734 7.609 ( -0.935 -14.590 2.563) 14.843 8.056 ( 1.426 -5.599 -2.889) 6.460 8.872 ( 5.416 11.451 0.021) 12.668 9.037 ( 4.480 5.080 -0.335) 6.781 9.588 ( -0.813 -7.534 5.847) 9.571 10.168 ( -5.948 4.024 1.614) 7.360 11.128 ( -10.132 18.478 3.325) 21.334 12.119 ( -0.577 17.684 8.039) 19.434 12.514 ( -10.809 10.087 -7.617) 16.631 13.049 ( -15.456 20.622 -5.067) 26.265 13.801 ( -2.416 14.372 1.756) 14.679 14.302 ( -3.958 15.767 5.353) 17.115 14.572 ( 3.774 11.290 -6.376) 13.504 15.239 ( 7.354 13.260 -5.575) 16.155 15.775 ( 0.380 22.699 -1.909) 22.783 15.943 ( -7.463 2.322 8.007) 11.189 16.733 ( -3.062 14.472 -0.453) 14.799 17.090 ( 5.543 -16.839 -3.252) 18.023 17.771 ( 17.584 -13.313 0.699) 22.066 18.445 ( 14.024 -5.780 -4.014) 15.691 18.654 ( 5.054 -11.523 11.918) 17.331 19.591 ( -2.340 -13.137 -10.351) 16.888 20.998 ( 2.640 -17.244 3.815) 17.857 21.605 ( -0.976 -21.305 -0.437) 21.331 22.541 ( 0.261 -34.111 3.601) 34.302 22.948 ( 6.030 -29.905 -0.032) 30.507 23.304 ( -1.554 -16.166 -4.513) 16.856 25.154 ( -5.702 9.364 -0.380) 10.970 ======================= Grid point 295 (130/231) ======================= q-point: (-0.08 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -14.422 -10.025 3.590) 17.927 2.344 ( -8.296 -10.748 7.444) 15.484 2.821 ( -4.152 -10.198 -9.539) 14.568 3.044 ( -2.632 -9.363 -10.114) 14.031 3.471 ( 4.284 -3.252 2.337) 5.864 3.591 ( -0.451 -3.373 3.095) 4.600 3.771 ( -2.551 -9.111 0.420) 9.470 3.899 ( -4.549 -5.451 15.845) 17.362 4.128 ( -5.158 -16.332 5.639) 18.031 4.327 ( -0.073 -11.950 5.688) 13.235 4.785 ( 1.977 -5.911 -2.184) 6.604 5.066 ( -4.854 -12.605 -2.966) 13.829 5.273 ( -0.275 -10.238 -10.163) 14.428 5.594 ( 12.045 -10.789 -1.138) 16.211 5.654 ( -2.477 -18.433 -13.388) 22.916 6.046 ( 4.721 -9.536 -12.498) 16.414 6.532 ( 5.917 -15.007 6.801) 17.507 6.626 ( 0.115 -15.221 6.462) 16.536 6.847 ( -4.771 -7.321 9.131) 12.639 7.196 ( 2.073 -8.081 -0.862) 8.387 7.885 ( 1.622 -12.473 0.336) 12.582 8.157 ( 4.405 -2.217 -1.356) 5.114 8.742 ( 4.405 4.404 -0.580) 6.256 9.060 ( 3.311 -3.719 -0.935) 5.066 9.660 ( -3.940 -2.469 0.345) 4.663 10.123 ( -7.325 -3.482 9.192) 12.258 10.800 ( -8.857 7.131 1.730) 11.501 11.837 ( 2.183 12.431 6.181) 14.054 12.292 ( -14.418 1.963 -8.568) 16.886 12.618 ( -9.532 13.813 -2.194) 16.925 13.506 ( -2.115 13.594 1.947) 13.895 13.965 ( -2.698 15.553 2.822) 16.036 14.414 ( 8.216 9.907 -4.730) 13.713 14.953 ( 4.710 21.053 -5.101) 22.169 15.358 ( -1.013 18.592 -0.890) 18.641 15.785 ( -4.137 6.800 5.682) 9.780 16.394 ( -2.878 17.357 0.396) 17.598 17.434 ( 1.743 -13.050 -2.132) 13.338 18.092 ( 15.450 -7.004 0.704) 16.978 18.541 ( 4.852 -1.420 0.494) 5.079 19.007 ( 8.380 -13.697 3.242) 16.381 19.789 ( -1.731 -9.055 -6.367) 11.204 21.310 ( 3.105 -12.911 2.319) 13.480 21.962 ( 0.821 -15.384 -0.911) 15.433 23.076 ( -3.730 -19.705 2.381) 20.196 23.377 ( 0.241 -20.313 -1.890) 20.403 23.816 ( 3.664 -27.579 -1.281) 27.851 24.969 ( -6.238 4.984 0.735) 8.019 ======================= Grid point 305 (131/231) ======================= q-point: (-0.31 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -11.498 -0.000 15.348) 19.177 1.840 ( -21.141 -0.000 16.896) 27.063 2.425 ( -4.263 -0.000 -19.977) 20.427 2.788 ( -2.192 -0.000 -9.473) 9.723 2.953 ( -1.989 -0.000 11.394) 11.566 3.135 ( -6.704 -0.000 1.885) 6.964 3.347 ( -31.747 -0.000 4.885) 32.120 3.471 ( 0.470 0.000 1.974) 2.030 3.573 ( 2.696 0.000 -3.620) 4.514 3.684 ( 1.926 0.000 7.474) 7.719 3.754 ( 5.479 0.000 2.475) 6.012 4.068 ( 5.526 0.000 0.014) 5.526 4.551 ( 5.546 0.000 8.959) 10.537 4.598 ( -7.760 -0.000 -20.514) 21.932 4.941 ( 12.382 0.000 -11.578) 16.952 5.506 ( 3.246 0.000 -12.078) 12.507 5.628 ( -0.810 -0.000 6.182) 6.235 5.925 ( -7.841 -0.000 9.500) 12.318 6.609 ( 17.661 0.000 -1.291) 17.708 6.894 ( 4.637 0.000 1.734) 4.951 7.119 ( -3.208 -0.000 6.358) 7.122 7.812 ( -1.753 -0.000 -2.415) 2.984 9.177 ( 3.633 0.000 23.104) 23.387 9.365 ( 2.906 0.000 6.079) 6.738 9.586 ( 7.844 0.000 -3.451) 8.569 10.543 ( -5.340 -0.000 -4.476) 6.968 12.024 ( -2.087 -0.000 1.967) 2.868 13.012 ( -8.029 -0.000 -0.183) 8.031 13.293 ( 6.196 0.000 -2.331) 6.620 13.977 ( -0.110 -0.000 5.700) 5.701 13.981 ( -5.447 -0.000 -11.609) 12.823 14.738 ( -11.416 -0.000 4.115) 12.135 14.953 ( 0.516 0.000 9.373) 9.387 15.065 ( 0.337 0.000 -13.328) 13.333 15.793 ( 10.008 0.000 -1.823) 10.173 16.048 ( 11.253 0.000 -9.073) 14.456 16.850 ( -2.822 -0.000 11.547) 11.887 16.952 ( 0.044 0.000 17.610) 17.610 17.535 ( -0.643 -0.000 -1.203) 1.365 18.319 ( 0.492 0.000 -17.615) 17.622 18.902 ( 5.876 0.000 -14.133) 15.306 19.169 ( -0.145 -0.000 8.260) 8.262 19.605 ( 1.317 0.000 -0.008) 1.317 20.533 ( 0.013 0.000 -0.653) 0.653 20.980 ( -3.399 -0.000 12.302) 12.763 21.525 ( 10.565 0.000 3.332) 11.078 23.132 ( -3.678 -0.000 -7.232) 8.113 25.699 ( 2.932 0.000 -4.019) 4.974 ======================= Grid point 306 (132/231) ======================= q-point: (-0.23 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -11.721 -23.703 8.028) 27.635 1.786 ( -20.566 -9.933 16.918) 28.423 2.392 ( -4.538 -1.112 -19.802) 20.345 2.743 ( -5.419 0.117 -8.286) 9.901 2.975 ( -18.999 -5.401 8.913) 21.670 3.140 ( -22.698 -10.644 11.982) 27.786 3.162 ( -4.373 -3.320 4.583) 7.152 3.502 ( 6.421 -2.203 -3.596) 7.682 3.632 ( 2.881 -1.475 10.101) 10.607 3.832 ( 7.725 -6.925 0.181) 10.376 3.942 ( 6.417 -15.897 -1.646) 17.222 4.203 ( 3.402 -9.283 -0.544) 9.901 4.610 ( -5.278 -7.222 -11.885) 14.875 4.650 ( 0.779 -7.152 0.078) 7.194 5.095 ( 9.484 -6.693 -19.244) 22.474 5.535 ( 3.133 -0.885 -6.650) 7.404 5.694 ( 1.796 -6.787 6.021) 9.249 5.936 ( -5.371 -5.991 12.054) 14.493 6.716 ( 10.694 0.041 -2.204) 10.919 6.926 ( 6.317 0.381 2.293) 6.731 7.163 ( -3.025 -6.750 5.440) 9.182 7.836 ( -1.644 -3.722 -2.500) 4.776 9.191 ( 3.462 2.675 14.417) 15.066 9.349 ( 4.174 2.858 13.527) 14.442 9.533 ( 7.392 10.149 -2.799) 12.864 10.444 ( -5.864 5.515 -4.164) 9.063 11.869 ( -4.633 13.262 2.555) 14.279 12.851 ( -7.812 10.627 1.095) 13.235 13.050 ( -3.088 20.886 -0.821) 21.129 13.772 ( -10.856 12.926 -10.633) 19.950 14.315 ( 0.633 -6.188 4.037) 7.415 14.472 ( -3.690 -1.168 -2.364) 4.535 14.875 ( 2.475 6.448 7.495) 10.192 15.320 ( 1.603 -12.837 -3.345) 13.362 15.803 ( 5.471 4.704 -3.951) 8.226 16.218 ( 13.874 -11.541 -9.313) 20.308 16.698 ( -0.679 10.407 9.543) 14.136 17.121 ( -3.148 -4.686 11.400) 12.721 17.530 ( 5.725 -5.275 2.223) 8.096 18.095 ( 0.173 17.270 -9.018) 19.484 18.779 ( 4.700 -1.046 -8.389) 9.673 19.256 ( 4.305 12.486 3.179) 13.584 19.907 ( 5.219 -39.037 -4.645) 39.657 20.831 ( -4.090 -16.296 7.131) 18.252 21.247 ( -1.594 -31.449 3.616) 31.696 21.737 ( 11.986 -14.765 2.881) 19.235 23.104 ( -4.904 -0.636 -7.703) 9.154 25.606 ( -0.193 10.547 -3.831) 11.223 ======================= Grid point 307 (133/231) ======================= q-point: (-0.15 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -14.436 -19.441 2.919) 24.390 1.878 ( -19.663 -12.716 10.412) 25.626 2.433 ( -4.821 -6.990 -17.717) 19.647 2.733 ( -6.510 -4.305 -10.443) 13.037 3.040 ( -21.256 -19.830 13.019) 31.852 3.224 ( -12.930 -13.290 9.908) 21.023 3.326 ( 3.661 -8.751 10.420) 14.091 3.611 ( 2.437 -3.898 1.908) 4.977 3.716 ( 3.910 -4.476 8.455) 10.335 4.004 ( 6.418 -5.936 2.134) 8.998 4.360 ( 5.716 -19.621 -5.394) 21.136 4.454 ( 2.043 -14.437 -4.029) 15.127 4.782 ( 0.502 -11.798 -4.981) 12.816 4.864 ( -3.069 -16.103 -8.397) 18.418 5.278 ( 1.198 -7.207 -18.112) 19.530 5.641 ( 8.168 -7.040 -6.976) 12.843 5.908 ( 2.685 -13.293 7.086) 15.301 6.078 ( -2.054 -11.207 12.206) 16.697 6.754 ( 1.029 0.230 0.637) 1.232 6.998 ( 9.014 -1.902 0.482) 9.225 7.328 ( -2.614 -12.235 4.271) 13.221 7.932 ( -0.040 -6.907 -3.258) 7.637 9.098 ( 3.434 8.449 1.098) 9.187 9.280 ( 5.239 12.237 3.679) 13.810 9.456 ( 3.259 -3.357 12.883) 13.706 10.259 ( -6.328 8.376 -1.979) 10.683 11.469 ( -7.942 22.017 4.025) 23.749 12.471 ( -6.569 21.078 2.226) 22.190 12.636 ( -15.886 13.443 -1.673) 20.878 13.352 ( -11.351 19.733 -7.922) 24.104 14.068 ( -1.698 14.631 1.397) 14.796 14.498 ( -8.003 8.184 2.549) 11.727 14.793 ( 5.191 7.224 -2.957) 9.374 15.483 ( 7.665 3.655 -2.778) 8.935 15.858 ( 3.931 -6.085 3.053) 7.861 16.205 ( -0.763 19.421 -1.962) 19.535 16.781 ( 3.400 -14.222 -3.169) 14.962 16.985 ( -2.755 9.930 2.852) 10.692 17.701 ( 17.390 -6.585 1.412) 18.649 18.221 ( 10.371 -21.206 0.327) 23.608 18.743 ( 10.389 9.524 7.766) 16.092 19.294 ( -3.022 -12.911 -10.876) 17.150 20.638 ( 8.826 -26.245 1.120) 27.712 21.159 ( -1.143 -22.732 2.457) 22.893 21.889 ( -0.675 -32.810 2.207) 32.891 22.328 ( 10.853 -35.318 2.173) 37.012 23.103 ( -5.746 -4.300 -7.990) 10.740 25.329 ( -6.667 13.630 -1.781) 15.277 ======================= Grid point 308 (134/231) ======================= q-point: (-0.08 -0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -19.035 -12.735 3.221) 23.128 2.019 ( -12.133 -15.270 9.238) 21.580 2.577 ( -4.346 -10.956 -14.558) 18.731 2.826 ( -5.151 -9.562 -13.653) 17.447 3.322 ( -5.097 -14.814 8.282) 17.721 3.457 ( -4.718 -12.601 10.878) 17.302 3.532 ( -3.884 -15.396 7.796) 17.689 3.699 ( -5.933 -8.175 10.421) 14.513 3.818 ( 2.045 -3.071 7.006) 7.918 4.188 ( 7.814 -8.120 2.619) 11.570 4.658 ( 1.999 -9.581 -4.750) 10.879 4.791 ( 0.772 -15.221 -7.495) 16.984 5.045 ( 1.957 -12.835 -6.494) 14.517 5.214 ( -3.070 -22.042 -16.033) 27.429 5.447 ( 4.229 -11.219 -2.462) 12.240 5.885 ( 6.458 -10.579 -12.509) 17.609 6.240 ( 2.124 -18.484 7.324) 19.995 6.325 ( 1.470 -13.765 10.777) 17.544 6.753 ( -1.760 -1.414 4.804) 5.308 7.106 ( 4.418 -3.607 -1.389) 5.870 7.591 ( -1.456 -15.933 3.607) 16.401 8.095 ( 3.990 -7.825 -4.373) 9.811 8.941 ( 4.091 10.988 -0.304) 11.729 9.103 ( 4.121 6.077 0.530) 7.362 9.578 ( -1.016 -5.048 6.991) 8.683 10.069 ( -7.277 4.417 5.104) 9.926 10.983 ( -9.105 19.042 4.173) 21.516 12.062 ( -11.124 13.139 -0.939) 17.241 12.272 ( -16.776 10.980 0.189) 20.051 12.916 ( -3.254 18.750 -5.406) 19.783 13.770 ( -1.587 14.827 0.928) 14.941 14.210 ( -7.351 13.408 1.853) 15.403 14.660 ( 6.854 9.719 -4.385) 12.676 15.344 ( 6.019 14.592 -3.220) 16.110 15.745 ( -3.269 21.141 -2.836) 21.579 15.878 ( -1.817 5.969 6.466) 8.986 16.691 ( -2.570 14.787 0.314) 15.012 17.161 ( 4.215 -16.861 -1.506) 17.445 18.055 ( 19.509 -10.423 0.056) 22.119 18.597 ( 6.160 0.623 0.246) 6.197 18.787 ( 13.474 -14.387 5.406) 20.439 19.543 ( -4.105 -14.014 -6.906) 16.154 21.070 ( 6.960 -15.366 3.655) 17.260 21.627 ( 4.678 -21.256 -2.509) 21.909 22.524 ( -2.241 -32.482 3.210) 32.717 23.012 ( 0.242 -21.610 2.582) 21.765 23.299 ( 2.608 -24.219 -8.273) 25.726 25.042 ( -9.536 8.875 0.207) 13.029 ======================= Grid point 319 (135/231) ======================= q-point: (-0.23 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -12.905 -0.000 18.491) 22.548 1.518 ( -22.867 -0.000 20.167) 30.490 2.357 ( -4.443 -0.000 -20.918) 21.384 2.622 ( -40.210 -0.000 3.895) 40.398 2.717 ( -20.695 -0.000 -6.489) 21.689 2.937 ( -0.582 -0.000 12.878) 12.892 3.145 ( 5.178 0.000 6.903) 8.629 3.559 ( 4.378 0.000 4.772) 6.476 3.606 ( 1.862 0.000 -4.068) 4.473 3.816 ( 12.202 0.000 0.940) 12.238 3.833 ( 5.003 0.000 2.414) 5.555 4.146 ( 4.869 0.000 0.324) 4.880 4.440 ( -11.616 -0.000 -22.544) 25.361 4.644 ( 6.690 0.000 7.910) 10.360 5.089 ( 6.232 0.000 -21.560) 22.442 5.556 ( 3.661 0.000 -12.102) 12.644 5.623 ( -1.119 -0.000 12.655) 12.704 5.862 ( 0.696 0.000 15.385) 15.401 6.779 ( 4.427 0.000 -2.151) 4.922 6.996 ( 9.997 0.000 0.345) 10.003 7.069 ( -3.699 -0.000 6.381) 7.376 7.785 ( -1.922 -0.000 -2.196) 2.919 9.267 ( 8.525 0.000 28.736) 29.974 9.434 ( 6.828 0.000 11.640) 13.494 9.694 ( 6.486 0.000 -3.338) 7.294 10.453 ( -6.231 -0.000 -3.295) 7.049 11.976 ( -4.487 -0.000 1.044) 4.607 12.896 ( -7.493 -0.000 -0.809) 7.537 13.366 ( 2.985 0.000 5.537) 6.290 13.907 ( -3.949 -0.000 -19.249) 19.650 13.977 ( -0.089 -0.000 5.668) 5.669 14.574 ( -9.448 -0.000 4.014) 10.265 14.993 ( 3.587 0.000 11.676) 12.214 15.067 ( 0.341 0.000 -13.306) 13.310 15.897 ( 5.549 0.000 -2.974) 6.296 16.248 ( 14.465 0.000 -6.478) 15.849 16.810 ( -2.859 -0.000 8.554) 9.019 16.956 ( 0.020 0.000 17.623) 17.623 17.537 ( 0.880 0.000 -0.669) 1.105 18.324 ( 0.536 0.000 -17.733) 17.741 18.985 ( 5.806 0.000 -12.890) 14.137 19.168 ( -0.139 -0.000 8.377) 8.378 19.636 ( 2.718 0.000 0.973) 2.887 20.533 ( 0.005 0.000 -0.665) 0.665 20.917 ( -4.644 -0.000 12.908) 13.718 21.691 ( 11.182 0.000 1.891) 11.341 23.058 ( -6.394 -0.000 -9.646) 11.573 25.738 ( 2.293 0.000 -6.880) 7.252 ======================= Grid point 320 (136/231) ======================= q-point: (-0.15 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -13.139 -22.763 9.256) 27.865 1.479 ( -21.933 -11.650 17.069) 30.135 2.309 ( -10.086 -2.538 -15.710) 18.841 2.425 ( -37.361 -13.447 13.919) 42.076 2.622 ( -10.371 -1.646 -15.426) 18.661 2.989 ( -2.743 -5.602 12.815) 14.252 3.253 ( 8.219 -4.921 10.568) 14.263 3.582 ( 3.423 -1.755 1.189) 4.026 3.672 ( 2.456 -3.312 4.247) 5.920 3.933 ( 5.494 -5.548 2.780) 8.288 4.054 ( 8.387 -14.634 -5.626) 17.780 4.253 ( 2.963 -7.517 -2.988) 8.615 4.461 ( -9.100 -10.943 -20.774) 25.182 4.738 ( 6.656 -4.531 6.744) 10.503 5.161 ( 0.051 -4.531 -21.483) 21.956 5.596 ( 4.563 -2.806 -6.468) 8.398 5.697 ( -2.280 -8.102 8.596) 12.031 5.938 ( 6.317 -4.831 14.784) 16.787 6.775 ( -0.919 1.377 0.000) 1.655 7.058 ( 9.455 0.319 -0.431) 9.470 7.118 ( -2.789 -6.729 4.903) 8.780 7.813 ( -1.228 -4.379 -2.653) 5.265 9.258 ( 4.995 6.340 14.818) 16.874 9.447 ( 9.427 4.614 22.294) 24.641 9.626 ( 4.952 10.098 -1.554) 11.353 10.356 ( -5.153 5.540 -1.117) 7.649 11.790 ( -6.214 14.594 2.329) 16.032 12.711 ( -12.396 11.928 -6.168) 18.275 12.943 ( -11.076 27.519 11.090) 31.670 13.643 ( -5.999 17.007 -11.701) 21.498 14.294 ( -2.632 4.565 4.289) 6.794 14.461 ( 1.438 -6.700 -9.049) 11.351 14.937 ( 5.466 4.273 8.781) 11.191 15.361 ( 4.572 -18.965 -4.644) 20.053 15.889 ( 6.107 3.529 -0.791) 7.098 16.387 ( 8.498 -3.247 -8.619) 12.532 16.693 ( -0.354 5.832 6.467) 8.716 17.084 ( -2.076 -1.556 10.209) 10.534 17.627 ( 7.343 -11.650 1.424) 13.844 18.104 ( 1.442 10.264 -5.071) 11.539 18.851 ( 5.139 -5.549 -8.117) 11.095 19.330 ( 5.584 18.159 6.279) 20.008 20.020 ( 11.274 -45.639 -8.387) 47.753 20.779 ( -2.694 -15.028 8.096) 17.281 21.225 ( -1.095 -32.819 3.104) 32.983 21.904 ( 9.955 -15.332 2.165) 18.408 23.009 ( -7.971 -0.771 -10.992) 13.600 25.577 ( -4.403 15.228 -6.033) 16.961 ======================= Grid point 321 (137/231) ======================= q-point: (-0.08 -0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -20.522 -15.490 4.211) 26.054 1.582 ( -18.254 -17.709 10.493) 27.513 2.363 ( -3.957 -7.366 -18.502) 20.304 2.590 ( -13.607 -12.694 -6.472) 19.702 2.721 ( -16.067 -27.607 9.463) 33.314 3.117 ( -3.348 -9.701 14.109) 17.447 3.422 ( 6.695 -6.303 12.631) 15.623 3.621 ( -1.039 -1.065 7.724) 7.866 3.786 ( 4.898 -4.071 1.889) 6.643 4.090 ( 5.125 -6.990 3.406) 9.313 4.415 ( -0.132 -15.732 -7.166) 17.287 4.493 ( 4.560 -15.781 -11.608) 20.114 4.731 ( -2.234 -20.356 -16.012) 25.995 4.906 ( 4.318 -8.028 0.489) 9.128 5.260 ( -2.586 -8.108 -10.632) 13.618 5.746 ( 5.292 -8.116 -10.696) 14.432 5.904 ( -2.116 -15.011 11.016) 18.740 6.134 ( 7.984 -9.462 11.063) 16.604 6.735 ( -2.666 0.739 2.608) 3.802 7.113 ( 5.733 0.058 -2.416) 6.222 7.291 ( -2.328 -12.905 5.070) 14.060 7.944 ( 1.788 -8.965 -4.687) 10.273 9.143 ( 2.459 7.356 2.690) 8.209 9.344 ( 3.276 13.047 4.175) 14.085 9.513 ( 3.703 0.897 16.443) 16.879 10.173 ( -4.324 9.315 3.103) 10.728 11.361 ( -6.623 23.314 4.529) 24.656 12.212 ( -28.207 19.288 -7.341) 34.951 12.463 ( -6.166 15.963 7.756) 18.788 13.256 ( -2.533 18.345 -7.339) 19.920 14.048 ( -0.761 14.335 0.277) 14.357 14.380 ( -7.750 9.967 -2.556) 12.882 14.876 ( 5.873 7.470 -0.053) 9.502 15.573 ( 4.031 3.769 -1.149) 5.637 15.909 ( 3.480 1.385 1.359) 3.984 16.181 ( -2.429 20.534 -2.348) 20.810 16.832 ( 2.756 -11.100 -0.733) 11.461 16.954 ( -0.713 5.965 2.226) 6.406 17.974 ( 17.969 -12.586 0.138) 21.939 18.373 ( 10.671 -23.449 1.772) 25.824 18.918 ( 12.882 10.053 4.238) 16.881 19.226 ( -6.315 -11.304 -6.011) 14.275 20.811 ( 13.656 -20.494 2.289) 24.734 21.193 ( 7.552 -28.284 -2.845) 29.412 21.871 ( -1.340 -32.412 1.712) 32.485 22.469 ( 6.814 -32.888 4.681) 33.911 23.008 ( -6.153 -6.988 -13.868) 16.704 25.189 ( -12.807 15.050 -1.071) 19.791 ======================= Grid point 333 (138/231) ======================= q-point: (-0.15 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -11.950 -0.000 23.299) 26.185 1.180 ( -23.973 -0.000 21.932) 32.492 1.913 ( -47.887 -0.000 22.923) 53.091 2.293 ( -3.583 -0.000 -21.817) 22.109 2.520 ( -11.962 -0.000 -18.442) 21.981 2.938 ( 0.370 0.000 14.222) 14.227 3.267 ( 10.102 0.000 9.889) 14.137 3.592 ( 0.233 0.000 6.606) 6.610 3.627 ( 1.081 0.000 -4.498) 4.626 3.896 ( 3.423 0.000 2.344) 4.148 3.985 ( 8.631 0.000 -7.785) 11.624 4.208 ( 3.509 0.000 0.478) 3.541 4.294 ( -5.697 -0.000 -20.136) 20.927 4.741 ( 6.151 0.000 7.001) 9.319 5.107 ( -2.541 -0.000 -20.965) 21.119 5.579 ( -4.406 -0.000 15.552) 16.164 5.605 ( 3.198 0.000 -12.115) 12.530 5.966 ( 11.350 0.000 13.057) 17.301 6.777 ( -3.045 -0.000 0.660) 3.116 7.017 ( -3.361 -0.000 6.382) 7.213 7.147 ( 9.258 0.000 -2.427) 9.571 7.758 ( -1.639 -0.000 -1.955) 2.551 9.397 ( 5.991 0.000 8.026) 10.016 9.631 ( 19.717 0.000 32.314) 37.854 9.780 ( 8.945 0.000 8.051) 12.035 10.393 ( 0.386 0.000 5.778) 5.790 11.892 ( -7.046 -0.000 -1.333) 7.171 12.794 ( -6.520 -0.000 0.224) 6.524 13.376 ( -1.371 -0.000 9.496) 9.594 13.852 ( -4.065 -0.000 -22.772) 23.132 13.977 ( -0.063 -0.000 5.650) 5.650 14.490 ( -1.526 -0.000 3.741) 4.040 15.055 ( 4.962 0.000 14.257) 15.096 15.070 ( 0.302 0.000 -13.293) 13.296 15.976 ( 5.188 0.000 -1.186) 5.322 16.422 ( 8.213 0.000 -7.824) 11.343 16.772 ( -2.328 -0.000 4.723) 5.265 16.959 ( -0.055 -0.000 17.616) 17.616 17.557 ( 1.571 0.000 -0.727) 1.731 18.328 ( 0.505 0.000 -17.826) 17.833 19.065 ( 5.119 0.000 -12.189) 13.221 19.167 ( -0.124 -0.000 8.491) 8.492 19.685 ( 4.522 0.000 6.166) 7.647 20.533 ( -0.002 -0.000 -0.678) 0.678 20.870 ( -1.461 -0.000 13.320) 13.400 21.829 ( 6.783 0.000 0.901) 6.842 22.937 ( -10.173 -0.000 -13.966) 17.278 25.746 ( -2.172 -0.000 -14.432) 14.594 ======================= Grid point 334 (139/231) ======================= q-point: (-0.08 -0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -13.747 -20.128 12.600) 27.439 1.124 ( -27.302 -11.039 13.392) 32.351 1.861 ( -28.295 -27.566 33.414) 51.739 2.272 ( -3.434 -1.359 -21.768) 22.079 2.466 ( -9.529 -3.353 -20.825) 23.145 2.980 ( 0.401 -4.005 14.972) 15.504 3.378 ( 7.668 -3.254 15.195) 17.329 3.601 ( -0.143 -1.071 4.599) 4.724 3.708 ( 2.418 -6.296 -2.159) 7.082 3.993 ( 2.704 -6.096 3.467) 7.516 4.129 ( -0.270 -11.297 -14.124) 18.088 4.293 ( 3.844 -7.284 -7.337) 11.030 4.395 ( 1.158 -11.817 -11.694) 16.666 4.829 ( 5.265 -4.308 5.203) 8.565 5.112 ( -5.467 -3.771 -16.703) 17.975 5.622 ( -2.056 -6.931 10.186) 12.490 5.681 ( 1.827 -6.198 -6.533) 9.188 6.083 ( 11.051 -3.380 9.661) 15.063 6.733 ( -3.902 1.345 2.913) 5.051 7.068 ( -2.787 -7.100 5.891) 9.637 7.185 ( 6.267 1.606 -3.203) 7.219 7.802 ( -0.201 -5.689 -3.292) 6.576 9.314 ( 1.283 9.665 6.303) 11.610 9.611 ( 5.576 10.469 6.731) 13.638 9.716 ( 13.630 14.314 28.776) 34.910 10.343 ( 6.236 8.369 13.198) 16.825 11.683 ( -8.859 14.297 0.654) 16.832 12.439 ( -24.799 25.455 -2.665) 35.637 12.783 ( -9.676 22.947 12.358) 27.801 13.580 ( -3.023 16.315 -9.235) 18.990 14.273 ( 0.249 6.565 -0.413) 6.583 14.476 ( 0.215 2.293 -10.193) 10.450 15.028 ( 6.307 3.279 6.933) 9.929 15.470 ( 11.061 -21.141 -4.202) 24.227 15.969 ( 4.133 2.182 1.835) 5.021 16.456 ( 1.636 4.871 -8.057) 9.556 16.682 ( -1.663 1.053 1.745) 2.631 17.062 ( -1.219 0.686 8.619) 8.731 17.733 ( 6.251 -19.817 -0.268) 20.781 18.145 ( 4.290 -0.328 1.493) 4.554 18.919 ( 4.128 -6.857 -6.492) 10.306 19.406 ( 3.592 21.536 2.725) 22.003 20.285 ( 27.576 -54.633 -10.050) 62.018 20.765 ( 0.644 -15.869 7.309) 17.483 21.233 ( 3.213 -33.481 1.714) 33.678 22.009 ( 3.871 -16.249 2.159) 16.843 22.863 ( -12.170 -1.909 -16.562) 20.641 25.440 ( -16.005 20.887 -8.554) 27.669 ======================= Grid point 347 (140/231) ======================= q-point: (-0.08 -0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -7.574 -0.000 29.105) 30.074 0.801 ( -27.990 -0.000 19.915) 34.352 1.323 ( -30.081 -0.000 45.154) 54.256 2.247 ( -2.167 -0.000 -22.466) 22.570 2.370 ( -7.339 -0.000 -22.895) 24.042 2.951 ( 0.912 0.000 15.247) 15.275 3.413 ( 7.688 0.000 17.732) 19.327 3.583 ( -0.202 -0.000 -0.395) 0.444 3.636 ( 0.221 0.000 -4.977) 4.982 3.932 ( 1.480 0.000 2.268) 2.708 4.007 ( -3.456 -0.000 -19.665) 19.966 4.247 ( 1.770 0.000 0.482) 1.834 4.320 ( 7.275 0.000 -8.935) 11.522 4.819 ( 4.095 0.000 6.563) 7.736 5.031 ( -6.632 -0.000 -17.299) 18.527 5.527 ( -2.540 -0.000 17.005) 17.194 5.640 ( 1.682 0.000 -12.208) 12.323 6.138 ( 10.149 0.000 5.442) 11.516 6.720 ( -3.864 -0.000 4.780) 6.146 6.977 ( -2.035 -0.000 6.370) 6.687 7.250 ( 4.666 0.000 -3.999) 6.145 7.738 ( -0.942 -0.000 -1.761) 1.997 9.425 ( -2.558 -0.000 -2.492) 3.571 9.723 ( -0.341 -0.000 -2.556) 2.579 10.115 ( 13.055 0.000 8.430) 15.540 10.758 ( 66.940 0.000 55.106) 86.704 11.777 ( -7.262 -0.000 -1.906) 7.508 12.697 ( -7.243 -0.000 1.329) 7.363 13.351 ( -1.332 -0.000 4.383) 4.581 13.757 ( -8.294 -0.000 -14.483) 16.690 13.977 ( -0.038 -0.000 5.648) 5.648 14.524 ( 4.658 0.000 3.079) 5.583 15.072 ( 0.227 0.000 -13.293) 13.295 15.195 ( 17.941 0.000 19.470) 26.475 16.022 ( -0.539 -0.000 -0.461) 0.709 16.472 ( -1.767 -0.000 -10.744) 10.889 16.738 ( -2.450 -0.000 1.015) 2.651 16.960 ( -0.165 -0.000 17.590) 17.591 17.558 ( -2.661 -0.000 -2.506) 3.655 18.332 ( 0.406 0.000 -17.874) 17.879 19.102 ( -2.059 -0.000 -13.414) 13.571 19.167 ( -0.103 -0.000 8.575) 8.576 19.858 ( 25.410 0.000 21.175) 33.077 20.533 ( -0.007 -0.000 -0.691) 0.691 20.885 ( 3.242 0.000 11.886) 12.320 21.880 ( 0.518 0.000 0.529) 0.740 22.725 ( -21.004 -0.000 -18.914) 28.265 25.582 ( -24.947 -0.000 -27.060) 36.805 ======================= Grid point 348 (141/231) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 6.591 0.000 28.961) 29.701 1.213 ( 0.408 0.000 29.679) 29.682 1.702 ( -6.289 -0.000 -21.171) 22.086 1.756 ( -0.411 -0.000 -26.369) 26.372 2.179 ( -1.040 -0.000 43.983) 43.995 3.088 ( 2.399 0.000 -42.367) 42.435 3.241 ( 1.332 0.000 12.411) 12.482 3.484 ( -1.170 -0.000 -9.313) 9.386 3.796 ( -3.816 -0.000 10.630) 11.295 3.913 ( 2.351 0.000 7.014) 7.397 3.984 ( -0.276 -0.000 1.711) 1.733 4.261 ( -0.086 -0.000 -0.091) 0.125 4.312 ( 5.182 0.000 -0.877) 5.256 4.601 ( -5.232 -0.000 -16.354) 17.170 5.044 ( 1.196 0.000 11.687) 11.748 5.370 ( -0.870 -0.000 -14.598) 14.624 5.775 ( 0.574 0.000 8.347) 8.367 6.207 ( -0.068 -0.000 -1.690) 1.691 6.886 ( 1.377 0.000 9.878) 9.974 7.071 ( -0.001 -0.000 3.638) 3.638 7.151 ( -0.971 -0.000 -7.635) 7.697 7.698 ( 0.007 0.000 -1.281) 1.281 9.306 ( -3.095 -0.000 -0.327) 3.112 9.722 ( 0.746 0.000 0.009) 0.746 10.167 ( -2.109 -0.000 1.694) 2.705 11.279 ( -3.438 -0.000 -4.180) 5.412 12.193 ( 11.595 0.000 3.399) 12.083 12.596 ( -6.527 -0.000 0.776) 6.573 13.271 ( 1.797 0.000 -1.785) 2.533 13.731 ( 3.347 0.000 -0.796) 3.441 14.100 ( -0.022 -0.000 5.404) 5.404 14.584 ( -0.857 -0.000 0.699) 1.106 14.828 ( 0.081 0.000 -9.170) 9.170 15.733 ( 9.723 0.000 0.314) 9.728 15.996 ( -3.817 -0.000 5.452) 6.655 16.194 ( -2.707 -0.000 -6.259) 6.819 16.752 ( 1.409 0.000 0.398) 1.464 17.333 ( -0.295 -0.000 17.978) 17.981 17.477 ( -1.981 -0.000 0.051) 1.982 17.969 ( 0.275 0.000 -17.445) 17.447 18.938 ( -3.813 -0.000 -0.447) 3.839 19.292 ( -0.030 -0.000 3.662) 3.663 20.415 ( 4.888 0.000 -0.846) 4.961 20.520 ( -0.005 -0.000 -0.457) 0.458 21.150 ( 9.287 0.000 2.437) 9.601 21.880 ( 0.820 0.000 -1.424) 1.643 22.266 ( -6.400 -0.000 0.432) 6.414 24.972 ( -10.190 -0.000 0.061) 10.190 ======================= Grid point 349 (142/231) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 7.434 -4.317 21.368) 23.032 1.293 ( 12.166 -5.543 21.481) 25.302 1.772 ( 2.651 -5.825 -22.514) 23.405 1.844 ( 0.460 -8.465 -20.357) 22.052 2.439 ( 3.842 -23.817 43.434) 49.685 3.214 ( 3.154 -8.159 -15.051) 17.408 3.379 ( 1.196 -13.019 -9.848) 16.368 3.552 ( -1.166 -8.034 -7.149) 10.817 3.745 ( -4.815 0.473 7.337) 8.788 3.930 ( -0.363 -1.328 4.289) 4.505 4.112 ( -2.273 -11.352 5.314) 12.739 4.307 ( -0.072 -3.952 0.614) 4.000 4.395 ( 3.105 -6.996 -2.389) 8.019 4.575 ( -3.804 -1.395 -16.546) 17.035 5.110 ( -0.515 -6.267 11.214) 12.856 5.415 ( -2.428 -6.060 -13.895) 15.353 5.865 ( 2.013 -7.976 7.157) 10.904 6.247 ( -0.797 -4.513 -0.710) 4.637 6.868 ( 0.862 2.264 8.124) 8.477 7.107 ( -1.937 1.906 -5.328) 5.981 7.155 ( 0.168 -7.153 2.668) 7.636 7.747 ( 0.337 -4.997 -2.020) 5.401 9.226 ( -1.588 5.321 2.647) 6.152 9.621 ( -1.001 9.868 -0.483) 9.930 10.006 ( -5.044 12.594 5.052) 14.476 11.181 ( -5.425 6.821 -0.667) 8.741 11.927 ( 2.934 38.794 4.691) 39.187 12.083 ( -4.980 30.381 10.882) 32.653 12.798 ( 13.901 31.638 7.084) 35.275 13.402 ( 0.838 12.280 -6.139) 13.754 14.247 ( 0.441 3.280 -2.666) 4.250 14.311 ( -0.251 14.842 -2.875) 15.120 15.096 ( -0.057 -6.771 -2.464) 7.206 15.710 ( -5.143 3.122 -3.220) 6.824 16.073 ( -5.758 -4.053 9.743) 12.021 16.301 ( 3.610 0.362 -8.375) 9.128 16.600 ( 3.394 0.108 -1.340) 3.651 17.214 ( 1.203 12.083 4.804) 13.058 17.797 ( -0.940 -28.202 1.360) 28.250 18.250 ( -2.812 -21.891 -2.175) 22.177 18.937 ( -8.639 0.004 -2.304) 8.941 19.217 ( 0.298 5.009 1.973) 5.391 20.551 ( -20.757 -21.708 0.615) 30.042 20.992 ( 6.933 -33.507 -5.228) 34.614 21.426 ( 4.040 -17.120 -7.861) 19.267 22.048 ( -6.774 -19.592 -2.035) 20.830 22.360 ( 18.333 -7.732 -1.328) 19.941 24.885 ( 0.468 4.348 6.464) 7.805 ======================= Grid point 350 (143/231) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 14.269 -15.613 11.775) 24.208 1.593 ( 13.002 -15.371 12.869) 23.894 1.955 ( 4.822 -10.146 -15.556) 19.188 2.060 ( 4.237 -12.517 -16.267) 20.958 3.032 ( 6.694 -29.854 31.519) 43.926 3.389 ( 1.265 -8.130 5.622) 9.965 3.602 ( -1.751 -7.405 -3.512) 8.381 3.684 ( -2.932 -2.373 9.506) 10.227 3.864 ( -0.074 -15.785 -16.849) 23.088 3.992 ( -0.121 -8.343 -3.331) 8.985 4.279 ( -3.981 -7.414 2.189) 8.695 4.442 ( -2.936 -10.386 1.893) 10.958 4.600 ( 2.869 -9.013 -11.148) 14.620 4.670 ( 1.193 -12.933 -10.036) 16.414 5.278 ( -3.603 -12.681 10.103) 16.609 5.566 ( -4.692 -12.210 -11.458) 17.389 6.095 ( 2.308 -13.364 5.594) 14.670 6.369 ( -1.196 -8.773 0.935) 8.903 6.834 ( 0.863 1.510 4.924) 5.222 7.048 ( -2.425 1.393 -4.445) 5.252 7.364 ( 0.171 -13.513 4.531) 14.254 7.888 ( -0.260 -9.031 -4.050) 9.901 9.129 ( -0.831 3.325 3.034) 4.577 9.360 ( -2.054 14.611 -0.868) 14.780 9.706 ( -2.998 12.641 7.299) 14.902 10.921 ( -11.555 13.164 -2.185) 17.652 11.176 ( 7.310 35.174 21.697) 41.969 11.603 ( 10.221 18.769 -7.567) 22.671 12.506 ( 17.220 16.265 1.299) 23.723 13.166 ( 1.287 13.623 -5.909) 14.905 13.996 ( -2.615 14.159 -0.643) 14.413 14.125 ( 3.498 10.508 0.180) 11.077 15.040 ( -0.970 9.335 -1.696) 9.537 15.594 ( -1.011 6.684 -1.734) 6.979 16.007 ( -2.842 9.646 5.227) 11.334 16.091 ( 1.649 11.780 -3.790) 12.484 16.824 ( -2.733 -5.396 1.193) 6.165 17.045 ( 2.117 -0.296 -0.940) 2.335 18.205 ( -4.715 -12.207 -1.282) 13.149 18.608 ( -14.202 -17.933 -1.060) 22.900 18.875 ( -4.780 -3.741 5.058) 7.901 19.183 ( 0.613 -3.129 -1.840) 3.681 20.889 ( -17.428 -24.754 5.828) 30.830 21.536 ( -2.070 -17.002 -12.156) 21.003 21.881 ( 0.586 -33.257 1.648) 33.303 22.382 ( -4.347 -18.044 5.646) 19.400 22.868 ( 14.872 -26.937 -15.002) 34.232 24.826 ( 7.469 4.741 5.963) 10.669 ======================= Grid point 351 (144/231) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 14.042 -15.234 11.714) 23.800 2.046 ( 11.166 -20.188 8.191) 24.481 2.216 ( 4.751 -12.914 -14.154) 19.740 2.375 ( 5.642 -15.332 -13.314) 21.076 3.522 ( -0.770 -4.936 2.207) 5.461 3.572 ( 1.280 -14.001 8.382) 16.368 3.680 ( 2.544 -5.981 13.953) 15.392 3.784 ( 2.371 -10.450 11.876) 15.995 4.017 ( -2.504 -7.153 8.123) 11.110 4.317 ( -0.158 -14.960 -12.649) 19.592 4.406 ( 0.685 -9.815 -10.343) 14.276 4.624 ( -1.743 -11.418 -6.163) 13.091 4.846 ( 4.477 -13.053 -0.676) 13.816 4.968 ( 0.427 -14.855 -12.478) 19.405 5.553 ( -7.675 -19.284 7.321) 22.008 5.800 ( -8.713 -16.082 -8.165) 20.030 6.380 ( 1.733 -13.457 5.612) 14.683 6.565 ( -0.854 -12.229 1.967) 12.416 6.840 ( 1.211 -1.858 1.324) 2.583 7.043 ( -0.739 -2.721 -1.892) 3.395 7.657 ( -1.154 -16.139 4.952) 16.921 8.063 ( -2.303 -8.965 -5.196) 10.615 8.994 ( -3.267 11.266 0.009) 11.731 9.140 ( -2.055 3.815 -0.124) 4.335 9.546 ( 3.211 3.290 4.145) 6.190 10.579 ( -8.957 11.235 0.247) 14.371 10.733 ( 12.911 19.635 11.567) 26.192 11.472 ( 12.769 5.387 -3.017) 14.183 12.325 ( 15.427 14.928 0.534) 21.474 12.901 ( 1.346 14.117 -5.986) 15.393 13.722 ( -1.986 12.572 0.772) 12.751 13.945 ( 4.401 10.573 2.458) 11.713 14.794 ( -4.874 12.817 -2.363) 13.914 15.408 ( -1.118 12.443 -1.862) 12.631 15.681 ( 1.347 19.971 -1.664) 20.086 15.941 ( 1.636 7.612 2.236) 8.100 16.647 ( 0.761 14.560 0.858) 14.605 17.266 ( -2.856 -14.115 -0.553) 14.412 18.271 ( -11.114 -4.192 -0.277) 11.881 18.667 ( -6.309 -0.290 0.407) 6.329 19.004 ( -10.287 -11.432 2.581) 15.594 19.396 ( 1.550 -14.910 -2.642) 15.222 21.192 ( -10.720 -16.983 4.123) 20.502 21.798 ( -6.352 -15.329 -6.311) 17.753 22.573 ( 1.099 -33.851 3.307) 34.030 22.721 ( 4.816 -17.650 2.079) 18.413 23.469 ( 1.096 -28.175 -9.422) 29.729 24.810 ( 8.882 3.257 3.652) 10.141 ======================= Grid point 352 (145/231) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 8.241 -13.448 9.764) 18.550 2.448 ( 5.412 -13.094 10.951) 17.907 2.536 ( 8.197 -15.854 -16.021) 23.984 2.692 ( 4.722 -12.802 -10.782) 17.391 3.529 ( -3.902 0.769 4.102) 5.713 3.655 ( -2.751 -1.717 1.292) 3.490 3.852 ( 5.653 -6.427 6.221) 10.582 4.002 ( 1.617 -5.468 2.602) 6.268 4.276 ( 6.696 -16.028 18.719) 25.537 4.479 ( -3.567 -7.855 1.441) 8.746 4.657 ( 2.944 -10.433 -14.420) 18.041 4.864 ( 5.182 -11.382 -7.088) 14.376 5.128 ( 1.813 -12.897 3.137) 13.396 5.240 ( 2.054 -12.644 -14.199) 19.123 5.855 ( -13.004 -17.697 2.619) 22.117 6.008 ( -13.368 -12.758 -5.930) 19.407 6.630 ( 3.448 -11.081 6.011) 13.069 6.808 ( -0.746 -11.954 3.383) 12.446 6.953 ( 2.630 -9.133 -0.954) 9.552 7.148 ( 0.669 -7.795 0.001) 7.824 7.932 ( -2.914 -12.499 2.674) 13.110 8.145 ( -4.900 -1.354 -1.925) 5.436 8.820 ( -0.008 3.020 -2.419) 3.870 9.087 ( -5.723 -1.486 0.558) 5.939 9.596 ( 7.842 -2.637 -0.126) 8.274 10.424 ( -1.306 0.885 7.702) 7.862 10.571 ( 10.991 6.279 1.857) 12.793 11.510 ( 6.410 0.462 1.747) 6.660 12.178 ( 14.198 10.419 -2.762) 17.827 12.664 ( 3.377 10.903 -5.029) 12.472 13.475 ( -2.200 11.099 1.514) 11.416 13.787 ( 3.804 9.020 3.924) 10.547 14.495 ( -7.340 12.947 -2.420) 15.078 15.069 ( -6.780 19.886 -4.554) 21.498 15.311 ( 3.888 19.030 -0.151) 19.424 15.809 ( 2.995 7.633 2.903) 8.698 16.353 ( 2.429 16.436 0.059) 16.615 17.475 ( -1.848 -9.120 -0.889) 9.347 18.265 ( -10.871 -3.646 0.903) 11.502 18.630 ( -4.715 -0.942 0.333) 4.820 19.136 ( -6.522 -8.453 1.167) 10.740 19.667 ( -0.072 -11.542 -2.783) 11.873 21.407 ( -6.903 -12.105 1.773) 14.047 22.035 ( -5.237 -13.215 -2.213) 14.386 23.027 ( 5.468 -14.512 2.338) 15.684 23.251 ( 2.332 -28.921 -0.347) 29.016 23.962 ( -2.525 -23.126 -4.011) 23.607 24.827 ( 7.543 1.324 2.310) 7.999 ======================= Grid point 353 (146/231) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 3.339 -9.152 7.054) 12.027 2.677 ( 2.987 -7.784 6.390) 10.504 2.865 ( 6.211 -11.483 -10.590) 16.810 2.924 ( 3.377 -8.184 -7.412) 11.547 3.473 ( -3.316 1.687 5.014) 6.243 3.640 ( -2.788 0.828 -0.918) 3.050 3.996 ( 4.097 -4.053 2.101) 6.133 4.098 ( 2.505 -3.567 3.839) 5.809 4.552 ( 1.766 -7.288 6.680) 10.043 4.617 ( 0.995 -7.679 5.289) 9.377 4.839 ( 2.546 -6.553 -4.212) 8.195 5.111 ( 6.633 -8.788 -8.480) 13.897 5.371 ( 5.504 -9.842 3.966) 11.954 5.466 ( 3.034 -8.215 -9.756) 13.110 5.993 ( -16.604 -7.633 -2.676) 18.470 6.103 ( -13.050 -7.999 -4.621) 15.988 6.871 ( 5.004 -9.792 5.766) 12.416 7.006 ( -0.527 -9.272 4.519) 10.328 7.190 ( 2.372 -11.256 0.004) 11.503 7.324 ( 1.225 -8.780 -0.652) 8.889 7.993 ( -5.246 3.780 -0.429) 6.480 8.148 ( -3.487 -4.491 1.117) 5.794 8.852 ( 1.451 -3.571 -3.451) 5.174 9.138 ( -5.657 -7.772 1.756) 9.772 9.720 ( 8.166 -3.477 -1.131) 8.947 10.494 ( 1.626 -6.737 9.855) 12.048 10.630 ( 7.444 -4.114 -2.008) 8.739 11.463 ( -0.419 6.581 6.095) 8.980 12.097 ( 7.139 9.203 -9.128) 14.798 12.627 ( 11.876 -3.737 -3.448) 12.919 13.284 ( -3.449 5.474 3.513) 7.362 13.643 ( 0.843 7.692 3.902) 8.666 14.198 ( -8.001 12.117 -1.011) 14.555 14.580 ( -5.548 23.569 -4.792) 24.683 15.016 ( 1.593 13.249 -1.287) 13.407 15.698 ( 3.138 6.019 3.111) 7.466 16.074 ( 2.291 13.303 -0.161) 13.500 17.597 ( 0.001 -4.412 -1.226) 4.579 18.254 ( -7.851 -2.402 0.337) 8.217 18.636 ( -3.184 -2.250 0.807) 3.982 19.233 ( -3.357 -5.242 0.682) 6.262 19.838 ( -0.374 -6.446 -2.767) 7.025 21.560 ( -4.091 -7.785 0.810) 8.831 22.221 ( -2.914 -8.787 -0.625) 9.279 23.297 ( 4.423 -9.349 0.105) 10.343 23.745 ( 1.500 -19.794 0.331) 19.853 24.316 ( -1.903 -14.770 -1.702) 14.989 24.862 ( 4.970 0.013 1.760) 5.272 ======================= Grid point 354 (147/231) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 0.236 -2.967 5.273) 6.055 2.794 ( 2.343 -2.082 7.088) 7.750 3.025 ( -0.988 -2.989 -9.560) 10.065 3.074 ( 3.718 -4.099 -5.003) 7.461 3.441 ( -0.933 -0.560 3.431) 3.600 3.596 ( -1.770 1.460 -1.444) 2.711 4.062 ( 0.579 -1.195 1.683) 2.144 4.167 ( 2.264 -1.219 2.391) 3.511 4.639 ( 0.391 -1.927 7.418) 7.674 4.732 ( 0.263 -2.980 0.944) 3.137 4.939 ( 1.194 -2.066 0.362) 2.413 5.260 ( 0.924 -3.315 -9.306) 9.922 5.550 ( -0.205 -2.672 -0.206) 2.688 5.630 ( 13.344 -5.547 0.372) 14.456 5.950 ( -12.881 -0.245 -6.338) 14.358 6.135 ( -6.802 -2.995 -5.032) 8.975 7.045 ( 3.238 -4.228 5.993) 8.017 7.143 ( 0.472 -3.973 4.144) 5.760 7.356 ( -1.397 -4.380 2.541) 5.253 7.476 ( 1.547 -4.379 -2.444) 5.248 7.879 ( -1.461 2.816 1.314) 3.434 8.181 ( -2.224 -1.077 -3.628) 4.390 8.914 ( 1.024 -0.904 -0.310) 1.401 9.256 ( -2.982 -5.877 1.261) 6.710 9.820 ( 4.164 -1.347 -0.255) 4.384 10.646 ( 0.470 -5.831 5.513) 8.038 10.762 ( 2.709 -2.799 3.627) 5.322 11.342 ( -0.777 1.656 3.248) 3.728 11.928 ( 2.110 9.049 -10.595) 14.092 12.848 ( 6.882 -4.618 -3.388) 8.954 13.288 ( 1.371 -8.771 6.682) 11.111 13.520 ( -2.642 3.621 2.559) 5.162 13.860 ( -7.278 15.816 -1.530) 17.477 14.218 ( 0.610 9.115 -2.349) 9.432 14.840 ( -0.529 4.836 -2.953) 5.691 15.631 ( 1.891 2.490 2.577) 4.052 15.902 ( 0.729 5.024 0.098) 5.077 17.651 ( 0.327 -1.189 -1.317) 1.804 18.246 ( -2.764 -0.778 -0.129) 2.874 18.655 ( -1.179 -1.072 1.241) 2.019 19.287 ( -1.130 -1.994 0.098) 2.294 19.917 ( -0.196 -2.064 -2.565) 3.298 21.643 ( -1.367 -2.695 0.537) 3.069 22.324 ( -0.899 -3.083 -0.189) 3.217 23.443 ( 1.597 -3.210 -0.404) 3.608 24.018 ( 0.694 -7.159 0.386) 7.203 24.497 ( -0.695 -4.696 -0.725) 4.802 24.892 ( 1.740 -0.405 1.335) 2.230 ======================= Grid point 355 (148/231) ======================= q-point: (-0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -1.367 3.633 6.276) 7.379 2.788 ( 0.852 4.089 7.335) 8.440 2.990 ( -4.431 3.977 -5.944) 8.413 3.102 ( -0.573 2.412 -7.423) 7.826 3.481 ( 1.753 -2.507 0.123) 3.061 3.577 ( 0.528 -0.349 -0.411) 0.755 4.052 ( -1.752 1.884 2.341) 3.478 4.173 ( -0.794 1.024 2.224) 2.574 4.638 ( 2.333 3.382 8.512) 9.451 4.736 ( -2.585 1.657 -0.731) 3.156 4.931 ( -1.394 2.704 1.613) 3.444 5.251 ( -3.253 3.191 -8.717) 9.836 5.495 ( -8.924 3.993 2.076) 9.995 5.772 ( 1.297 2.128 -8.817) 9.162 5.879 ( 10.345 2.013 -1.018) 10.588 6.130 ( 4.811 2.581 -4.381) 6.999 7.067 ( 0.532 3.488 4.974) 6.098 7.141 ( 0.887 4.916 3.273) 5.972 7.331 ( -3.795 4.835 4.607) 7.681 7.463 ( -1.975 4.525 -1.134) 5.065 7.912 ( 4.834 -3.564 -1.365) 6.159 8.185 ( 0.564 -0.423 -4.360) 4.417 8.884 ( 0.369 4.380 2.599) 5.106 9.275 ( 1.286 3.452 -0.502) 3.718 9.810 ( -2.956 2.969 0.653) 4.240 10.627 ( -2.090 7.796 9.211) 12.247 10.748 ( -2.865 1.690 1.598) 3.690 11.458 ( 1.750 -10.187 -4.002) 11.084 11.863 ( -0.288 -3.011 -6.551) 7.216 12.792 ( -10.724 8.000 1.947) 13.520 13.319 ( -2.586 5.233 3.749) 6.937 13.557 ( 4.268 -3.645 -0.775) 5.666 13.852 ( 8.559 -17.613 -1.125) 19.615 14.200 ( 0.356 -6.052 -0.638) 6.096 14.834 ( -1.302 -5.123 -2.548) 5.868 15.641 ( -0.430 -2.886 1.715) 3.384 15.897 ( -0.984 -4.686 0.474) 4.811 17.650 ( -0.156 1.439 -1.171) 1.862 18.245 ( 3.020 0.823 -0.111) 3.132 18.655 ( 1.177 1.136 1.275) 2.074 19.292 ( 0.681 1.352 -0.324) 1.548 19.916 ( 0.098 2.037 -2.542) 3.259 21.643 ( 1.385 2.688 0.536) 3.071 22.322 ( 0.777 3.247 -0.037) 3.339 23.442 ( -1.598 3.210 -0.343) 3.602 24.023 ( -0.258 6.834 -0.077) 6.839 24.486 ( 0.327 5.672 0.288) 5.688 24.899 ( -1.706 -0.292 0.662) 1.853 ======================= Grid point 356 (149/231) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.516 ( -3.787 10.178 9.594) 14.491 2.652 ( -1.740 9.279 5.977) 11.174 2.826 ( -5.938 8.777 -5.160) 11.787 2.975 ( -3.808 8.670 -10.628) 14.234 3.540 ( 3.056 -1.376 -0.924) 3.477 3.611 ( 1.746 -1.775 0.832) 2.625 3.961 ( -3.464 5.536 4.017) 7.667 4.126 ( -3.259 2.075 3.166) 4.995 4.527 ( -1.634 9.211 9.354) 13.229 4.638 ( 0.122 6.720 1.651) 6.920 4.829 ( -1.894 6.216 -0.905) 6.561 5.098 ( -6.052 8.582 -9.131) 13.916 5.292 ( -9.599 9.151 2.096) 13.427 5.623 ( -3.157 9.648 -15.235) 18.307 5.933 ( 18.365 6.881 2.715) 19.799 6.097 ( 12.554 7.819 -3.300) 15.153 6.929 ( -0.581 10.403 1.172) 10.485 6.984 ( -0.645 10.379 5.242) 11.645 7.143 ( -3.856 10.550 4.680) 12.169 7.324 ( -1.796 7.667 -0.557) 7.895 8.008 ( 4.982 -0.805 -1.624) 5.302 8.193 ( 3.744 1.680 -3.211) 5.211 8.784 ( -0.299 4.419 3.058) 5.382 9.175 ( 4.667 7.537 -1.759) 9.038 9.689 ( -7.732 4.148 1.596) 8.918 10.439 ( -2.852 7.892 12.251) 14.849 10.672 ( -6.100 1.576 -3.842) 7.380 11.643 ( -1.222 -7.215 -7.901) 10.770 11.993 ( -5.556 -8.895 -1.629) 10.613 12.525 ( -11.066 4.844 6.140) 13.551 13.321 ( 0.605 -5.541 0.387) 5.587 13.703 ( -0.871 -9.619 -1.638) 9.796 14.221 ( 9.381 -9.950 -3.321) 14.073 14.510 ( 5.285 -23.276 1.735) 23.931 15.011 ( -2.236 -13.858 -0.913) 14.067 15.718 ( -2.117 -5.610 1.329) 6.142 16.067 ( -2.387 -13.592 0.393) 13.805 17.589 ( 0.444 5.022 -0.521) 5.068 18.261 ( 7.906 1.691 -0.298) 8.090 18.633 ( 3.210 2.483 1.065) 4.195 19.244 ( 2.782 4.879 -0.278) 5.623 19.838 ( 0.388 6.273 -2.877) 6.912 21.562 ( 4.164 7.604 0.661) 8.695 22.211 ( 2.677 9.393 0.239) 9.770 23.302 ( -4.360 8.768 -0.309) 9.797 23.759 ( -1.356 19.366 -0.935) 19.436 24.282 ( 1.740 16.143 1.492) 16.305 24.883 ( -4.871 -0.653 -0.148) 4.917 ======================= Grid point 357 (150/231) ======================= q-point: (-0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -8.724 15.373 12.820) 21.836 2.412 ( -4.955 13.160 4.586) 14.791 2.567 ( -5.674 13.157 -5.730) 15.432 2.721 ( -6.315 13.262 -14.117) 20.373 3.562 ( 2.593 2.008 0.560) 3.327 3.655 ( 2.018 -1.083 1.586) 2.786 3.806 ( -2.722 7.276 6.716) 10.269 4.038 ( -5.715 5.103 3.562) 8.449 4.258 ( -5.252 13.957 17.659) 23.113 4.506 ( 7.547 9.668 2.167) 12.455 4.659 ( -3.040 10.070 -11.348) 15.474 4.847 ( -6.025 11.952 -10.683) 17.125 5.032 ( -7.164 10.654 1.686) 12.949 5.361 ( 0.498 16.168 -14.454) 21.693 5.847 ( 13.446 14.313 3.907) 20.023 5.987 ( 13.015 13.566 -4.489) 19.328 6.677 ( -0.680 14.267 1.716) 14.386 6.765 ( -0.408 11.810 6.878) 13.673 6.919 ( -2.665 8.513 2.414) 9.241 7.167 ( -1.547 6.518 -1.516) 6.868 7.940 ( 2.890 11.201 1.925) 11.726 8.168 ( 4.625 4.898 -3.977) 7.823 8.783 ( 0.650 -5.556 1.166) 5.714 9.105 ( 5.334 2.662 -1.163) 6.074 9.582 ( -7.616 0.313 0.871) 7.672 10.315 ( -0.457 3.183 13.756) 14.127 10.669 ( -8.129 -8.364 -3.456) 12.165 11.651 ( -12.668 0.683 -11.438) 17.081 12.093 ( -10.361 -10.774 5.758) 16.018 12.579 ( -0.570 -11.642 2.885) 12.008 13.499 ( 0.322 -11.501 -0.500) 11.516 13.878 ( -5.678 -10.483 -4.280) 12.667 14.474 ( 7.968 -10.790 -0.933) 13.446 15.011 ( 7.231 -21.278 1.316) 22.511 15.310 ( -3.588 -18.610 -0.439) 18.958 15.821 ( -2.343 -6.636 1.819) 7.269 16.355 ( -2.463 -17.062 -0.183) 17.240 17.457 ( 2.785 9.955 0.690) 10.361 18.287 ( 10.824 3.181 -1.148) 11.340 18.624 ( 4.042 0.566 0.905) 4.180 19.147 ( 6.131 8.375 0.226) 10.382 19.672 ( 0.160 11.348 -3.301) 11.820 21.419 ( 7.030 11.153 0.764) 13.206 22.002 ( 5.058 15.045 0.746) 15.890 23.043 ( -5.552 14.818 0.828) 15.845 23.288 ( -2.937 25.793 -3.670) 26.218 23.889 ( 3.273 26.132 2.795) 26.484 24.863 ( -7.513 -2.307 -1.052) 7.929 ======================= Grid point 358 (151/231) ======================= q-point: (-0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -13.624 17.262 14.777) 26.495 2.059 ( -8.892 18.079 6.143) 21.062 2.258 ( -3.914 14.367 -9.155) 17.480 2.394 ( -8.374 13.742 -16.810) 23.271 3.470 ( 0.054 8.884 8.044) 11.985 3.608 ( -5.589 13.590 8.555) 17.003 3.692 ( 1.283 2.623 6.659) 7.271 3.773 ( 0.280 10.595 9.725) 14.384 4.067 ( -1.790 4.447 10.501) 11.543 4.330 ( -0.271 16.937 -7.737) 18.623 4.402 ( 4.279 11.465 -14.026) 18.614 4.583 ( -1.209 11.482 -9.069) 14.682 4.790 ( -4.593 10.174 0.177) 11.164 5.025 ( 0.271 17.485 -10.697) 20.499 5.591 ( 6.950 18.598 4.876) 20.444 5.781 ( 9.047 14.929 -8.141) 19.262 6.379 ( -0.609 15.911 5.386) 16.809 6.538 ( 1.216 11.242 5.241) 12.464 6.806 ( -0.921 2.189 3.254) 4.029 7.073 ( -0.385 2.120 -3.737) 4.313 7.671 ( 0.864 16.280 3.849) 16.752 8.049 ( 2.582 9.410 -4.118) 10.591 8.994 ( 3.544 -12.504 -0.005) 12.996 9.145 ( 1.450 -4.024 -0.493) 4.305 9.587 ( -4.042 -5.719 -0.472) 7.019 10.348 ( 5.823 -5.688 19.510) 21.140 10.907 ( -6.734 -21.623 -2.266) 22.760 11.556 ( -19.930 -5.844 -10.717) 23.371 12.265 ( -10.553 -13.840 6.215) 18.480 12.849 ( 0.940 -14.890 -0.868) 14.945 13.745 ( 0.474 -13.301 -1.364) 13.379 14.028 ( -7.638 -10.337 -5.375) 13.931 14.750 ( 6.330 -11.720 1.708) 13.429 15.393 ( 2.377 -13.962 0.235) 14.165 15.661 ( -1.920 -19.204 -0.787) 19.316 15.945 ( -0.858 -7.524 2.169) 7.878 16.661 ( -1.288 -15.369 -0.402) 15.429 17.241 ( 4.458 15.115 1.729) 15.853 18.278 ( 11.329 6.382 -0.843) 13.030 18.673 ( 4.202 -0.877 -0.124) 4.295 19.029 ( 10.584 8.851 0.475) 13.806 19.395 ( -1.594 16.202 -2.741) 16.510 21.244 ( 10.465 13.515 -0.007) 17.093 21.705 ( 7.454 20.254 1.625) 21.644 22.551 ( -2.076 32.529 3.180) 32.750 22.861 ( -8.132 13.359 -8.508) 17.804 23.327 ( 3.301 34.031 3.734) 34.394 24.872 ( -9.664 -5.295 -2.282) 11.254 ======================= Grid point 359 (152/231) ======================= q-point: (-0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -13.928 13.794 16.917) 25.892 1.618 ( -9.597 18.811 11.056) 23.837 1.973 ( -3.959 11.303 -15.012) 19.204 2.101 ( -8.223 9.532 -18.521) 22.395 3.040 ( -8.384 28.652 33.211) 44.656 3.340 ( 1.448 9.343 6.032) 11.215 3.606 ( 2.444 7.488 -5.368) 9.531 3.723 ( 1.662 4.145 3.736) 5.823 3.917 ( -3.964 15.634 -21.404) 26.800 3.976 ( 0.363 6.793 7.240) 9.934 4.275 ( 5.763 5.977 0.560) 8.322 4.383 ( 3.403 11.662 0.546) 12.160 4.535 ( 0.583 13.895 -5.788) 15.063 4.760 ( -4.333 7.190 -12.512) 15.067 5.293 ( 3.140 14.669 8.019) 17.010 5.573 ( 4.345 11.002 -12.085) 16.911 6.077 ( -0.999 13.903 7.094) 15.641 6.359 ( 1.739 8.325 2.543) 8.877 6.801 ( 0.672 -1.282 6.355) 6.518 7.072 ( 0.807 -1.488 -5.349) 5.610 7.372 ( -0.551 13.795 3.843) 14.331 7.877 ( 0.809 8.710 -3.078) 9.273 9.169 ( -0.568 -5.191 -1.156) 5.348 9.354 ( 1.428 -14.568 -0.500) 14.646 9.759 ( 0.144 -13.258 1.851) 13.387 10.660 ( 17.619 -17.866 24.616) 35.151 11.330 ( -6.581 -21.805 3.086) 22.984 11.670 ( -17.541 -24.792 -10.572) 32.158 12.466 ( -12.276 -16.110 4.294) 20.704 13.142 ( 0.340 -14.323 -3.283) 14.698 14.017 ( 0.857 -14.262 -2.175) 14.452 14.167 ( -6.101 -9.011 -4.399) 11.737 15.001 ( 3.576 -9.624 2.349) 10.532 15.589 ( 0.921 -5.557 -0.745) 5.682 15.984 ( 3.189 -11.678 2.624) 12.387 16.113 ( -1.881 -11.546 -1.743) 11.828 16.848 ( 2.025 7.790 -1.224) 8.141 17.010 ( -0.260 -1.492 2.516) 2.937 18.178 ( 6.840 13.028 1.203) 14.763 18.580 ( 13.055 18.323 1.433) 22.544 18.991 ( -1.165 5.193 -5.649) 7.761 19.150 ( 2.502 -0.263 1.336) 2.849 21.018 ( 16.914 22.071 -4.794) 28.217 21.334 ( 6.375 23.059 5.493) 24.546 21.880 ( -0.989 33.226 0.996) 33.256 22.550 ( -2.210 20.278 -7.336) 21.677 22.680 ( -7.457 24.491 1.079) 25.623 24.927 ( -11.696 -8.227 -4.081) 14.870 ======================= Grid point 360 (153/231) ======================= q-point: (-0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -6.385 3.285 23.542) 24.613 1.276 ( -5.387 8.660 21.687) 23.965 1.787 ( -3.408 4.647 -22.620) 23.343 1.891 ( -6.785 7.251 -22.420) 24.521 2.449 ( -6.424 23.709 45.050) 51.312 3.183 ( 1.541 8.142 -14.543) 16.738 3.372 ( 0.049 14.140 -10.251) 17.465 3.560 ( 0.321 7.001 -6.786) 9.755 3.799 ( -2.331 -0.358 5.038) 5.562 3.904 ( 3.283 2.215 5.642) 6.893 4.128 ( 0.144 12.418 6.108) 13.840 4.267 ( 5.114 1.290 -0.488) 5.297 4.342 ( 3.263 7.526 -2.682) 8.631 4.651 ( -5.154 1.379 -16.985) 17.803 5.099 ( 1.836 7.104 11.072) 13.282 5.427 ( 1.072 5.764 -14.066) 15.238 5.854 ( -0.691 7.977 8.089) 11.382 6.246 ( 0.981 4.302 -0.352) 4.426 6.848 ( 1.523 -2.157 8.902) 9.285 7.117 ( 0.295 -1.076 -4.308) 4.450 7.160 ( -0.490 6.377 1.266) 6.520 7.746 ( -0.066 4.812 -1.823) 5.146 9.265 ( -3.407 -5.863 -1.656) 6.980 9.613 ( 1.786 -9.707 0.113) 9.871 10.039 ( 0.600 -12.579 1.413) 12.672 11.174 ( 11.111 -12.961 2.158) 17.207 11.741 ( 11.846 -29.844 18.493) 37.053 12.208 ( -9.131 -32.224 2.654) 33.598 12.801 ( -12.024 -31.516 5.946) 34.252 13.401 ( -0.463 -13.181 -5.889) 14.444 14.246 ( -1.138 -1.923 -1.408) 2.642 14.315 ( 0.536 -14.169 -4.521) 14.882 15.095 ( 0.282 5.244 -1.962) 5.606 15.660 ( 11.063 1.215 1.657) 11.252 16.105 ( 0.096 1.224 7.802) 7.898 16.288 ( -0.039 1.123 -8.665) 8.737 16.604 ( -4.085 -0.574 -1.755) 4.483 17.208 ( -0.520 -12.154 5.559) 13.375 17.797 ( 0.996 26.629 1.259) 26.677 18.240 ( 4.398 21.409 -1.302) 21.894 18.929 ( 7.014 0.394 -0.994) 7.096 19.284 ( -6.775 -6.884 -5.041) 10.895 20.602 ( 22.881 31.287 -4.832) 39.061 20.890 ( -1.681 25.516 4.691) 25.998 21.337 ( 4.515 22.317 1.569) 22.823 22.045 ( 1.485 19.708 -0.920) 19.785 22.395 ( -15.220 4.100 -4.801) 16.477 24.992 ( -13.509 -7.079 -5.110) 16.084 ======================= Grid point 362 (154/231) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 4.356 0.000 28.796) 29.123 1.379 ( 20.710 0.000 23.609) 31.405 1.726 ( 11.192 0.000 -18.509) 21.630 1.764 ( 2.179 0.000 -25.952) 26.044 2.257 ( 10.723 0.000 40.718) 42.107 3.151 ( 7.140 0.000 -39.260) 39.904 3.258 ( 0.748 0.000 11.781) 11.805 3.459 ( -1.899 -0.000 -9.098) 9.294 3.712 ( -6.914 -0.000 9.397) 11.666 3.916 ( -2.942 -0.000 2.946) 4.163 3.966 ( -2.177 -0.000 2.022) 2.971 4.246 ( -1.979 -0.000 0.004) 1.979 4.346 ( -1.097 -0.000 5.118) 5.235 4.538 ( -2.229 -0.000 -17.540) 17.681 5.048 ( -0.923 -0.000 12.218) 12.253 5.333 ( -3.544 -0.000 -15.371) 15.775 5.807 ( 3.547 0.000 6.821) 7.688 6.193 ( -1.772 -0.000 -0.019) 1.772 6.896 ( -0.365 -0.000 7.151) 7.161 7.088 ( 2.108 0.000 3.632) 4.200 7.109 ( -4.545 -0.000 -6.330) 7.793 7.703 ( 0.744 0.000 -1.342) 1.534 9.279 ( -0.590 -0.000 4.848) 4.884 9.707 ( -2.916 -0.000 -1.135) 3.129 10.089 ( -7.852 -0.000 6.579) 10.244 11.212 ( -5.767 -0.000 1.241) 5.899 12.139 ( -12.719 -0.000 -6.599) 14.329 12.518 ( -5.149 -0.000 7.819) 9.362 13.355 ( 7.568 0.000 -1.311) 7.681 13.811 ( 6.249 0.000 -7.372) 9.664 14.101 ( 0.014 0.000 5.374) 5.374 14.543 ( -3.271 -0.000 0.866) 3.383 14.827 ( -0.028 -0.000 -9.159) 9.159 15.649 ( -11.673 -0.000 -6.459) 13.341 15.869 ( -15.595 -0.000 11.828) 19.573 16.357 ( 15.780 0.000 -8.644) 17.993 16.780 ( 3.915 0.000 -0.638) 3.966 17.331 ( -0.404 -0.000 18.024) 18.029 17.480 ( 1.842 0.000 2.160) 2.839 17.969 ( 0.163 0.000 -17.466) 17.467 18.801 ( -14.011 -0.000 4.778) 14.804 19.292 ( -0.056 -0.000 3.639) 3.639 20.257 ( -17.416 -0.000 -5.568) 18.285 20.520 ( 0.004 0.000 -0.442) 0.442 21.280 ( 2.914 0.000 -1.896) 3.476 21.814 ( -8.575 -0.000 0.722) 8.605 22.469 ( 28.323 0.000 -4.997) 28.760 24.965 ( 8.924 0.000 10.690) 13.926 ======================= Grid point 363 (155/231) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 9.116 -7.181 20.473) 23.533 1.604 ( 23.483 -4.134 14.731) 28.028 1.831 ( 4.514 -6.596 -18.145) 19.827 1.928 ( 12.839 -6.754 -19.711) 24.474 2.578 ( 14.398 -21.439 38.481) 46.344 3.265 ( 3.452 -5.509 -2.100) 6.832 3.406 ( 2.703 -11.707 -13.849) 18.334 3.528 ( -1.764 -8.870 -5.488) 10.579 3.675 ( -4.065 -2.016 0.889) 4.624 3.890 ( -4.873 -2.173 -0.570) 5.366 4.067 ( -3.805 -9.670 3.849) 11.082 4.261 ( -5.524 -4.442 1.353) 7.217 4.415 ( -0.445 -8.425 4.337) 9.486 4.550 ( 0.224 -2.813 -18.068) 18.287 5.090 ( -2.512 -5.331 12.353) 13.687 5.357 ( -4.784 -5.609 -15.365) 17.042 5.911 ( 3.859 -7.476 5.052) 9.813 6.223 ( -2.409 -4.696 2.009) 5.648 6.869 ( -1.265 1.750 4.106) 4.639 7.051 ( -5.165 1.586 -4.112) 6.790 7.174 ( 2.217 -6.884 3.766) 8.154 7.755 ( 0.779 -4.665 -2.078) 5.165 9.219 ( 0.147 5.179 6.381) 8.219 9.578 ( -4.826 9.720 -0.860) 10.886 9.915 ( -6.507 10.657 9.597) 15.748 11.059 ( -11.284 9.654 -1.932) 14.976 11.839 ( -7.065 22.621 4.031) 24.039 12.110 ( 5.328 28.720 4.972) 29.630 13.109 ( 23.697 28.234 6.529) 37.435 13.423 ( 2.106 13.080 -8.360) 15.665 14.220 ( -3.681 7.786 -0.297) 8.618 14.349 ( 5.424 9.426 -3.377) 11.387 15.096 ( 0.100 -8.682 -2.673) 9.084 15.571 ( -11.565 -2.275 -5.776) 13.126 15.921 ( -13.940 -10.980 12.711) 21.828 16.346 ( 0.125 9.556 -10.282) 14.037 16.703 ( 10.085 2.559 0.477) 10.415 17.239 ( 2.003 11.763 4.503) 12.754 17.775 ( -1.797 -27.102 1.352) 27.195 18.167 ( -8.091 -13.272 -3.296) 15.890 18.711 ( -18.486 -4.198 -0.266) 18.958 19.271 ( 4.843 6.259 4.959) 9.339 20.231 ( -19.543 -21.624 -2.905) 29.291 21.040 ( 1.301 -35.241 -4.537) 35.555 21.415 ( -3.809 -13.017 -1.691) 13.668 21.905 ( -9.707 -16.835 3.897) 19.820 22.732 ( 24.141 -6.570 -12.093) 27.788 25.004 ( 13.830 4.794 8.863) 17.112 ======================= Grid point 364 (156/231) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 10.795 -18.643 12.431) 24.872 1.891 ( 21.340 -9.022 3.676) 23.459 2.049 ( 8.101 -10.051 -6.932) 14.653 2.174 ( 12.054 -10.053 -17.423) 23.450 3.177 ( 11.429 -26.605 24.722) 38.074 3.398 ( -0.554 -6.614 5.204) 8.434 3.575 ( -0.826 -6.553 9.426) 11.510 3.650 ( -1.715 -5.359 7.226) 9.158 3.850 ( -2.290 -9.595 -8.615) 13.097 4.000 ( 2.139 -14.637 -17.173) 22.666 4.219 ( -3.322 -9.387 2.189) 10.195 4.374 ( -5.300 -10.930 -0.848) 12.177 4.636 ( 1.401 -12.060 -8.759) 14.971 4.694 ( 1.818 -12.625 -6.641) 14.381 5.218 ( -4.616 -10.526 10.557) 15.607 5.473 ( -7.113 -10.843 -13.660) 18.835 6.134 ( 2.557 -12.450 3.212) 13.109 6.338 ( -3.072 -9.225 3.898) 10.475 6.831 ( -1.734 0.581 1.188) 2.181 6.999 ( -3.943 -0.324 -1.476) 4.223 7.376 ( 1.333 -12.225 3.964) 12.920 7.883 ( -0.045 -7.878 -3.437) 8.595 9.117 ( -1.233 5.214 3.292) 6.289 9.306 ( -5.282 13.015 -0.098) 14.046 9.675 ( -1.294 8.984 9.079) 12.838 10.728 ( -12.652 12.731 -7.132) 19.314 11.314 ( 9.592 27.811 15.070) 33.054 11.776 ( 13.130 15.060 -2.032) 20.083 12.829 ( 24.868 21.341 1.026) 32.786 13.184 ( 1.344 13.825 -8.478) 16.273 13.955 ( -2.637 13.223 0.588) 13.496 14.213 ( 8.314 11.276 2.901) 14.307 15.008 ( -3.209 11.987 -3.213) 12.818 15.544 ( -5.981 2.426 -2.400) 6.886 15.942 ( -6.255 3.470 7.116) 10.090 16.140 ( 5.132 10.465 -5.559) 12.914 16.777 ( -3.600 -3.079 0.734) 4.794 17.086 ( 3.739 3.338 -1.565) 5.251 18.073 ( -14.264 -6.172 -2.047) 15.676 18.369 ( -16.283 -20.696 0.529) 26.339 18.763 ( -8.844 -8.023 8.699) 14.774 19.205 ( 1.602 -2.552 -5.133) 5.952 20.665 ( -11.888 -28.733 3.482) 31.290 21.482 ( -4.071 -13.599 -8.610) 16.602 21.892 ( 0.705 -35.224 3.430) 35.397 22.291 ( -7.171 -27.019 5.522) 28.495 23.063 ( 10.388 -14.866 -13.118) 22.383 24.989 ( 13.009 6.587 4.873) 15.374 ======================= Grid point 365 (157/231) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 9.474 -15.153 8.604) 19.835 2.258 ( 14.150 -13.111 9.639) 21.565 2.323 ( 11.372 -12.346 -13.601) 21.603 2.482 ( 9.277 -12.824 -12.413) 20.114 3.476 ( -4.977 -3.240 3.505) 6.896 3.546 ( -4.180 -7.411 3.621) 9.247 3.752 ( 4.771 -7.715 7.590) 11.827 3.860 ( 4.733 -11.451 9.488) 15.606 4.001 ( 3.328 -14.761 16.198) 22.166 4.277 ( -3.834 -10.623 -1.511) 11.394 4.442 ( 2.297 -13.025 -13.499) 18.899 4.625 ( 3.284 -16.063 -9.386) 18.892 4.879 ( 0.986 -12.529 -2.931) 12.905 5.003 ( 3.395 -15.153 -7.624) 17.299 5.433 ( -8.029 -15.960 6.692) 19.078 5.653 ( -10.372 -13.624 -11.698) 20.737 6.403 ( 0.699 -13.374 2.726) 13.667 6.538 ( -2.935 -13.551 4.336) 14.527 6.840 ( -1.493 -3.339 0.620) 3.709 7.025 ( -1.729 -4.708 0.248) 5.021 7.646 ( -0.298 -14.466 3.415) 14.866 8.031 ( -1.732 -6.962 -3.603) 8.028 8.942 ( -3.823 10.039 -0.425) 10.750 9.085 ( -5.143 5.036 0.595) 7.222 9.603 ( 3.911 -0.333 4.226) 5.768 10.462 ( -6.478 6.381 -2.894) 9.542 10.942 ( 14.349 19.928 8.496) 25.985 11.652 ( 11.687 7.976 2.740) 14.412 12.595 ( 19.265 19.528 -1.147) 27.455 12.926 ( 2.939 13.514 -8.509) 16.238 13.698 ( -1.050 12.318 1.651) 12.472 14.043 ( 8.617 12.417 5.592) 16.115 14.702 ( -7.270 14.330 -3.346) 16.413 15.337 ( -7.905 13.059 -4.011) 15.783 15.696 ( -0.060 17.082 1.123) 17.119 16.019 ( 9.083 9.325 0.902) 13.049 16.660 ( 0.787 11.917 0.810) 11.970 17.216 ( -3.822 -13.306 -2.930) 14.151 18.061 ( -16.920 -6.584 0.407) 18.160 18.519 ( -13.364 -6.286 1.212) 14.819 18.879 ( -6.472 -10.908 5.700) 13.906 19.410 ( 0.478 -14.030 -5.717) 15.158 21.063 ( -6.160 -19.047 3.178) 20.270 21.724 ( -3.327 -14.887 -4.294) 15.847 22.584 ( 0.066 -33.981 4.294) 34.252 22.768 ( 1.760 -23.354 1.528) 23.470 23.465 ( -1.467 -23.201 -8.048) 24.600 24.956 ( 10.083 5.308 2.479) 11.662 ======================= Grid point 366 (158/231) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 7.553 -10.664 5.212) 14.069 2.542 ( 7.721 -9.549 6.053) 13.691 2.686 ( 11.186 -13.243 -8.642) 19.370 2.771 ( 6.401 -10.796 -8.705) 15.274 3.464 ( -4.974 0.055 4.764) 6.888 3.597 ( -4.923 -2.507 1.389) 5.697 3.917 ( 1.418 -6.240 0.672) 6.434 4.016 ( 1.734 -6.714 5.307) 8.732 4.389 ( 4.630 -12.804 11.948) 18.115 4.438 ( 0.125 -10.150 7.968) 12.904 4.690 ( 2.417 -10.796 -8.623) 14.027 4.942 ( 3.840 -11.949 -12.573) 17.766 5.165 ( 5.840 -15.143 2.091) 16.364 5.296 ( 3.514 -11.927 -5.243) 13.494 5.672 ( -10.385 -14.215 1.359) 17.656 5.821 ( -10.937 -11.797 -11.282) 19.649 6.664 ( 0.423 -13.380 3.089) 13.739 6.788 ( -2.061 -12.883 3.454) 13.497 6.963 ( -1.355 -10.571 2.711) 10.997 7.153 ( -0.083 -8.830 0.201) 8.833 7.893 ( -2.553 -10.525 0.561) 10.845 8.082 ( -3.292 -0.280 -0.141) 3.306 8.804 ( -2.216 0.567 -2.106) 3.109 9.004 ( -5.362 -1.203 0.361) 5.507 9.698 ( 5.804 -4.474 -0.045) 7.328 10.399 ( -1.380 -2.599 2.787) 4.053 10.755 ( 12.581 9.549 3.197) 16.115 11.594 ( 5.162 6.012 7.205) 10.710 12.371 ( 9.569 14.382 -6.410) 18.426 12.749 ( 9.462 7.602 -5.690) 13.405 13.451 ( -0.925 12.224 2.515) 12.514 13.860 ( 5.331 12.089 6.080) 14.544 14.379 ( -7.535 12.773 -3.269) 15.185 14.952 ( -8.412 19.608 -5.648) 22.071 15.344 ( 0.360 18.378 0.465) 18.388 15.890 ( 7.647 10.065 2.524) 12.890 16.394 ( 3.245 16.206 0.250) 16.530 17.446 ( -2.105 -11.489 -2.577) 11.961 18.080 ( -13.674 -6.621 1.380) 15.255 18.534 ( -8.355 -4.796 0.201) 9.636 19.049 ( -5.149 -10.112 3.467) 11.866 19.661 ( -0.615 -11.196 -4.359) 12.031 21.336 ( -2.381 -12.879 1.539) 13.187 21.989 ( -0.894 -13.446 -1.468) 13.556 23.087 ( 2.692 -16.492 2.968) 16.972 23.283 ( 1.820 -27.815 -0.953) 27.891 23.910 ( -4.358 -23.863 -3.191) 24.467 24.935 ( 6.660 3.255 1.623) 7.588 ======================= Grid point 367 (159/231) ======================= q-point: ( 0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( 5.194 -6.140 4.102) 9.028 2.748 ( 6.387 -5.894 5.453) 10.260 2.939 ( 4.114 -6.674 -8.208) 11.351 2.997 ( 6.272 -7.577 -5.853) 11.446 3.424 ( -3.511 0.263 5.136) 6.227 3.589 ( -3.852 -0.341 -0.600) 3.914 4.012 ( -1.523 -3.861 0.794) 4.226 4.140 ( 2.279 -3.564 2.941) 5.153 4.562 ( 0.945 -6.765 9.165) 11.431 4.633 ( -0.418 -6.836 2.293) 7.222 4.873 ( 1.896 -5.809 -0.952) 6.184 5.147 ( -0.420 -8.052 -10.539) 13.270 5.430 ( -5.319 -7.529 0.746) 9.249 5.568 ( 14.830 -11.652 1.231) 18.900 5.803 ( -7.781 -6.737 -6.425) 12.133 5.976 ( -2.033 -9.810 -7.068) 12.261 6.910 ( -0.213 -10.929 3.648) 11.524 6.999 ( -0.629 -10.136 3.064) 10.608 7.179 ( -3.098 -11.427 4.285) 12.591 7.342 ( 0.599 -9.507 -1.360) 9.622 7.924 ( -4.137 2.955 -0.751) 5.139 8.107 ( -1.941 -4.330 0.516) 4.773 8.844 ( -2.568 -4.695 -2.699) 5.993 9.072 ( -3.128 -8.399 1.009) 9.019 9.824 ( 5.842 -3.279 -0.792) 6.746 10.510 ( 0.810 -7.719 5.570) 9.553 10.747 ( 7.651 -0.243 0.506) 7.671 11.458 ( -0.364 9.269 9.216) 13.076 12.154 ( 0.927 12.291 -10.663) 16.298 12.815 ( 12.316 -4.254 -4.722) 13.859 13.248 ( -1.041 5.639 5.007) 7.612 13.651 ( -0.422 10.750 5.156) 11.930 14.097 ( -4.361 12.802 -2.396) 13.735 14.507 ( -4.079 19.321 -5.464) 20.489 15.022 ( -0.819 13.907 -0.336) 13.935 15.756 ( 4.423 7.989 2.453) 9.455 16.111 ( 2.751 14.389 0.203) 14.651 17.604 ( 1.028 -4.981 -1.938) 5.443 18.123 ( -9.686 -6.931 0.354) 11.916 18.583 ( -3.833 -4.515 0.538) 5.947 19.185 ( -3.168 -6.944 2.024) 7.896 19.827 ( -0.905 -6.665 -3.426) 7.549 21.534 ( 0.583 -8.166 0.815) 8.227 22.210 ( 1.419 -8.803 -0.438) 8.927 23.342 ( 1.678 -8.572 0.241) 8.738 23.761 ( 0.588 -19.492 0.152) 19.502 24.283 ( -2.499 -16.346 -1.242) 16.582 24.923 ( 3.115 1.873 1.424) 3.903 ======================= Grid point 368 (160/231) ======================= q-point: ( 0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 3.486 -0.493 4.953) 6.077 2.852 ( 5.230 -0.132 6.028) 7.982 3.013 ( -0.547 0.290 -6.127) 6.159 3.117 ( 2.326 -1.265 -6.550) 7.065 3.432 ( -0.384 -2.805 2.737) 3.938 3.570 ( -1.615 -0.204 -1.058) 1.941 4.045 ( -2.756 -1.016 2.004) 3.556 4.178 ( -0.930 -0.021 2.180) 2.371 4.663 ( 0.066 -2.105 6.211) 6.559 4.713 ( -0.110 -2.562 0.847) 2.700 4.939 ( -1.217 -0.979 1.389) 2.091 5.228 ( -4.772 -2.112 -8.276) 9.784 5.448 ( -10.396 -1.399 3.427) 11.035 5.761 ( -3.746 -1.860 -11.871) 12.586 5.950 ( 18.009 -5.950 -0.186) 18.967 6.154 ( 8.938 -5.315 -1.725) 10.541 7.054 ( -2.114 -4.389 4.031) 6.322 7.147 ( -0.897 -4.399 1.840) 4.852 7.311 ( -4.013 -4.123 4.746) 7.458 7.470 ( -1.922 -2.690 -0.601) 3.361 7.876 ( 0.547 -1.444 -1.723) 2.314 8.157 ( -0.735 -2.231 -2.498) 3.429 8.899 ( -3.093 -2.135 -0.140) 3.761 9.227 ( -0.863 -7.424 1.033) 7.545 9.873 ( 2.948 2.369 -0.406) 3.804 10.650 ( 0.153 -4.481 4.173) 6.125 10.801 ( 2.358 1.816 5.949) 6.652 11.326 ( -1.632 -0.133 3.322) 3.703 11.929 ( -1.644 9.133 -11.892) 15.084 12.853 ( -5.077 5.103 -0.056) 7.198 13.365 ( 6.682 -7.299 7.052) 12.151 13.495 ( 0.113 -1.764 1.230) 2.153 13.805 ( 0.213 12.449 -3.189) 12.852 14.230 ( 1.016 7.496 -3.213) 8.219 14.824 ( -1.482 5.088 -1.382) 5.477 15.655 ( 1.244 4.209 1.525) 4.647 15.916 ( 1.183 6.469 0.360) 6.586 17.660 ( 0.848 -0.530 -1.477) 1.783 18.201 ( -3.178 -5.592 -0.333) 6.440 18.639 ( -1.027 -2.790 1.222) 3.214 19.269 ( -1.291 -3.439 0.630) 3.727 19.909 ( -0.729 -2.474 -2.754) 3.774 21.657 ( 3.087 -2.998 0.613) 4.347 22.340 ( 2.997 -2.813 -0.149) 4.113 23.445 ( -1.136 -1.902 -0.306) 2.236 24.021 ( -0.294 -6.831 0.076) 6.837 24.486 ( -0.657 -5.643 -0.402) 5.695 24.902 ( -0.351 1.434 1.231) 1.923 ======================= Grid point 369 (161/231) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 2.101 6.085 7.792) 10.108 2.816 ( 2.347 7.116 7.577) 10.657 2.935 ( -2.518 5.620 -6.353) 8.848 3.085 ( -1.317 4.726 -9.125) 10.361 3.506 ( 1.526 -3.686 -0.006) 3.989 3.584 ( 0.325 -1.598 0.086) 1.633 4.007 ( -4.296 2.268 2.796) 5.605 4.142 ( -3.025 1.916 3.099) 4.736 4.624 ( -5.436 3.647 5.826) 8.763 4.743 ( 5.219 1.879 0.220) 5.552 4.905 ( -2.226 2.967 0.880) 3.813 5.162 ( -8.233 3.614 -7.619) 11.785 5.352 ( -8.939 3.839 3.893) 10.478 5.719 ( -2.628 2.902 -15.560) 16.045 6.146 ( 18.540 0.701 2.281) 18.693 6.290 ( 15.770 1.200 0.264) 15.817 7.043 ( -4.043 3.138 2.007) 5.498 7.124 ( -3.962 4.861 2.087) 6.609 7.274 ( -3.219 4.759 4.077) 7.045 7.430 ( -2.007 4.268 0.588) 4.753 7.969 ( 2.743 -5.220 -3.520) 6.868 8.207 ( 2.317 -2.341 -2.392) 4.070 8.864 ( -2.927 3.319 1.975) 4.846 9.302 ( 2.331 0.626 0.572) 2.481 9.764 ( -3.137 8.184 -0.355) 8.772 10.594 ( -2.482 9.410 11.626) 15.161 10.716 ( -1.620 4.525 0.312) 4.817 11.464 ( -0.719 -10.931 -4.397) 11.804 11.834 ( -3.261 -2.000 -7.976) 8.846 12.622 ( -10.909 11.040 4.372) 16.125 13.309 ( 0.522 3.238 5.188) 6.138 13.612 ( 3.111 -0.029 -3.038) 4.349 13.997 ( 10.021 -22.888 -0.618) 24.993 14.214 ( 1.392 -5.213 -1.523) 5.607 14.810 ( -1.748 -4.811 -1.214) 5.260 15.631 ( -0.992 -1.746 0.464) 2.061 15.888 ( -0.339 -3.246 0.543) 3.308 17.651 ( 0.293 1.689 -1.092) 2.032 18.282 ( 1.984 -3.145 -0.263) 3.728 18.671 ( 0.956 -0.498 1.337) 1.717 19.300 ( 0.374 -0.107 -0.323) 0.506 19.914 ( -0.354 1.583 -2.455) 2.943 21.694 ( 5.097 2.292 0.638) 5.625 22.361 ( 4.234 3.376 -0.004) 5.415 23.400 ( -3.913 4.492 -0.368) 5.968 24.012 ( -1.169 7.275 -0.365) 7.377 24.492 ( 0.499 4.891 0.441) 4.936 24.861 ( -3.302 1.396 0.732) 3.658 ======================= Grid point 370 (162/231) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -0.681 14.507 12.285) 19.023 2.626 ( -2.473 11.474 5.913) 13.143 2.771 ( -0.858 10.311 -7.664) 12.876 2.918 ( -3.658 10.396 -11.742) 16.104 3.580 ( 2.297 -1.902 -0.365) 3.005 3.625 ( 0.108 -2.310 1.252) 2.630 3.901 ( -4.462 5.060 4.813) 8.287 4.070 ( -3.854 2.752 3.374) 5.815 4.456 ( -5.042 9.605 13.054) 16.973 4.711 ( 6.713 5.820 -3.517) 9.555 4.796 ( -2.804 6.388 -3.666) 7.881 4.985 ( -8.021 7.807 -10.024) 15.025 5.178 ( -5.217 8.470 5.440) 11.338 5.601 ( -0.642 8.415 -16.620) 18.640 6.183 ( 15.439 8.707 5.471) 18.550 6.314 ( 15.668 8.819 -0.300) 17.982 6.879 ( -7.157 9.175 2.621) 11.928 6.951 ( -2.706 8.743 0.812) 9.188 7.103 ( -1.905 10.444 1.775) 10.763 7.294 ( -1.857 7.701 0.682) 7.951 8.067 ( 3.262 -0.904 -0.986) 3.526 8.255 ( 4.070 0.406 -2.660) 4.879 8.761 ( -2.438 3.472 1.780) 4.601 9.254 ( 6.053 6.481 -0.755) 8.900 9.570 ( -8.374 5.657 0.866) 10.143 10.393 ( -3.567 7.136 13.706) 15.858 10.600 ( -3.376 4.216 -4.024) 6.735 11.601 ( -4.247 -2.462 -8.658) 9.953 11.887 ( -7.099 -4.779 -0.214) 8.561 12.424 ( -3.408 -1.025 4.612) 5.826 13.338 ( 1.541 -5.169 2.259) 5.848 13.688 ( -1.085 -6.122 -2.371) 6.654 14.327 ( 5.112 -9.506 -3.463) 11.335 14.604 ( 6.830 -25.520 2.242) 26.513 14.970 ( -2.987 -12.941 -0.819) 13.307 15.695 ( -1.155 -5.219 0.406) 5.361 16.038 ( -1.466 -12.680 0.185) 12.765 17.600 ( 0.812 4.150 -0.258) 4.236 18.352 ( 4.508 -1.609 -0.279) 4.795 18.672 ( 2.013 1.354 0.945) 2.603 19.282 ( 2.241 2.793 -0.676) 3.644 19.840 ( -0.023 6.001 -2.419) 6.471 21.645 ( 6.391 6.945 0.836) 9.475 22.276 ( 5.693 9.012 0.093) 10.660 23.224 ( -5.977 9.667 -0.438) 11.374 23.732 ( -1.980 19.907 -0.804) 20.021 24.307 ( 1.585 14.997 1.047) 15.117 24.806 ( -5.200 0.904 0.161) 5.280 ======================= Grid point 371 (163/231) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -4.657 20.232 15.025) 25.627 2.343 ( -4.026 15.761 4.281) 16.821 2.518 ( -1.431 14.538 -10.050) 17.731 2.640 ( -4.075 14.752 -12.524) 19.776 3.586 ( 0.880 2.785 1.331) 3.210 3.673 ( 0.480 -1.890 3.069) 3.636 3.765 ( -2.586 6.056 6.234) 9.068 3.969 ( -3.371 6.273 4.659) 8.510 4.205 ( -2.145 11.927 21.225) 24.441 4.596 ( -1.079 10.752 -6.057) 12.388 4.634 ( 4.039 8.665 -12.381) 15.642 4.763 ( -3.972 9.455 -14.889) 18.079 4.960 ( -2.259 10.960 8.864) 14.276 5.365 ( -0.427 15.388 -15.793) 22.055 6.011 ( 8.461 18.123 5.694) 20.795 6.167 ( 10.690 16.163 -1.936) 19.475 6.636 ( -4.784 10.653 5.032) 12.716 6.759 ( 0.105 10.798 4.670) 11.765 6.890 ( -1.364 8.122 -2.722) 8.674 7.138 ( -1.808 5.997 -0.729) 6.306 7.977 ( 1.920 12.338 4.095) 13.141 8.231 ( 3.542 5.755 -5.261) 8.564 8.783 ( -0.386 -8.061 0.271) 8.074 9.180 ( 4.542 4.500 -1.077) 6.484 9.473 ( -6.607 -1.726 0.908) 6.889 10.306 ( -1.095 -0.550 16.255) 16.301 10.580 ( -3.710 -6.741 -4.406) 8.867 11.462 ( -10.992 6.738 -7.118) 14.727 11.983 ( -4.658 -9.831 2.534) 11.170 12.587 ( 1.072 -12.831 0.596) 12.889 13.510 ( 0.978 -10.906 0.816) 10.980 13.807 ( -3.948 -7.911 -3.621) 9.554 14.570 ( 4.838 -11.396 -0.735) 12.403 15.090 ( 3.177 -18.828 1.906) 19.189 15.261 ( -2.289 -19.586 -1.837) 19.805 15.807 ( -0.116 -6.690 1.284) 6.813 16.326 ( -1.408 -17.130 -0.246) 17.190 17.493 ( 1.871 8.282 1.039) 8.554 18.403 ( 4.930 0.432 -1.127) 5.076 18.664 ( 1.650 0.227 0.744) 1.824 19.231 ( 4.581 4.912 -0.665) 6.749 19.669 ( -0.405 11.948 -2.106) 12.139 21.526 ( 6.422 9.946 1.350) 11.916 22.100 ( 7.424 14.113 -0.378) 15.951 22.952 ( -6.496 13.500 0.313) 14.985 23.238 ( -3.115 28.232 -1.974) 28.472 23.935 ( 2.855 24.970 0.703) 25.143 24.760 ( -5.997 -0.650 -0.140) 6.034 ======================= Grid point 372 (164/231) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -3.926 20.824 17.175) 27.277 1.956 ( -4.508 20.426 3.799) 21.260 2.207 ( -2.815 15.077 -13.376) 20.351 2.315 ( -1.939 15.434 -12.660) 20.056 3.467 ( -0.160 13.336 11.282) 17.469 3.548 ( -1.631 13.637 11.207) 17.727 3.706 ( -0.293 0.176 5.733) 5.743 3.782 ( -0.023 7.148 7.021) 10.019 4.049 ( -0.789 4.502 10.574) 11.520 4.299 ( -1.139 18.536 -16.854) 25.079 4.457 ( -0.022 9.879 -10.848) 14.672 4.614 ( 6.122 7.646 -9.674) 13.767 4.731 ( -3.216 10.479 5.225) 12.143 5.019 ( -1.110 18.535 -12.836) 22.573 5.656 ( 1.560 20.486 6.348) 21.503 5.882 ( 4.306 17.318 -6.555) 19.011 6.367 ( -0.946 15.228 6.581) 16.616 6.552 ( 0.834 10.281 2.734) 10.671 6.800 ( 0.283 1.385 2.280) 2.682 7.061 ( -0.896 0.945 -3.551) 3.782 7.680 ( 0.052 17.210 5.387) 18.033 8.083 ( 1.729 10.577 -5.696) 12.138 9.036 ( 1.742 -15.375 0.009) 15.474 9.147 ( -0.555 0.149 -0.506) 0.766 9.538 ( -2.401 -8.162 0.889) 8.554 10.446 ( 6.645 -12.906 22.421) 26.710 10.830 ( -4.539 -21.325 -3.978) 22.162 11.317 ( -10.081 -1.774 -6.668) 12.216 12.161 ( -3.523 -11.156 1.616) 11.810 12.866 ( 1.214 -14.520 -2.168) 14.731 13.752 ( 0.242 -13.276 -0.218) 13.280 13.943 ( -3.873 -9.367 -3.551) 10.740 14.822 ( 3.255 -11.229 0.765) 11.717 15.388 ( -1.249 -12.819 0.141) 12.881 15.660 ( 0.886 -20.328 -1.834) 20.430 15.945 ( 0.249 -7.236 2.055) 7.527 16.646 ( -0.745 -15.963 0.163) 15.981 17.289 ( 1.890 14.521 1.543) 14.724 18.386 ( 3.466 4.887 -1.184) 6.107 18.708 ( 1.281 -3.509 -0.029) 3.735 19.161 ( 5.420 6.815 -1.013) 8.767 19.362 ( -2.098 17.856 -0.341) 17.982 21.360 ( 3.728 11.282 2.902) 12.231 21.839 ( 8.811 18.912 -3.147) 21.100 22.532 ( -0.190 31.748 3.628) 31.955 22.712 ( -9.485 15.428 -4.691) 18.708 23.387 ( 4.200 34.017 -2.390) 34.358 24.752 ( -5.769 -3.217 0.159) 6.608 ======================= Grid point 373 (165/231) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 4.540 14.606 19.183) 24.534 1.530 ( -1.957 19.399 8.934) 21.447 1.928 ( -0.862 11.250 -16.991) 20.396 2.038 ( -0.788 11.676 -16.089) 19.895 2.981 ( -0.542 30.005 33.534) 45.001 3.366 ( 1.752 8.854 4.877) 10.259 3.618 ( -0.289 8.459 -8.108) 11.721 3.721 ( -1.788 2.425 8.196) 8.732 3.876 ( -1.451 16.361 -18.146) 24.475 3.988 ( 0.734 5.943 4.049) 7.228 4.316 ( -0.419 5.375 0.130) 5.393 4.436 ( 3.101 13.732 5.538) 15.127 4.560 ( 2.804 8.383 -10.468) 13.701 4.692 ( -3.890 10.574 -13.798) 17.814 5.311 ( -0.779 14.247 9.230) 16.993 5.604 ( -0.083 12.279 -11.073) 16.535 6.073 ( 0.466 13.944 6.737) 15.493 6.374 ( 0.408 8.322 0.271) 8.336 6.816 ( 1.173 -1.791 6.758) 7.089 7.071 ( -0.772 -2.085 -5.322) 5.768 7.366 ( -0.387 14.110 4.437) 14.796 7.887 ( 0.462 9.422 -3.931) 10.220 9.148 ( -1.739 -3.094 0.628) 3.604 9.370 ( 0.494 -15.462 -0.263) 15.472 9.746 ( -2.080 -14.488 4.081) 15.195 10.909 ( 13.110 -23.407 19.827) 33.360 11.207 ( -9.935 -21.788 7.125) 24.984 11.519 ( -1.125 -26.946 -7.456) 27.982 12.371 ( 0.636 -12.629 -0.070) 12.645 13.151 ( 0.899 -13.733 -4.298) 14.417 14.021 ( -0.560 -14.539 -1.294) 14.607 14.111 ( -1.487 -9.659 -2.404) 10.064 15.037 ( 1.325 -8.536 0.186) 8.640 15.594 ( 0.367 -8.862 -0.862) 8.911 16.021 ( 1.133 -13.003 2.086) 13.218 16.088 ( -1.104 -10.132 -0.901) 10.232 16.853 ( -1.129 5.748 0.678) 5.897 17.020 ( 1.343 2.015 0.081) 2.423 18.232 ( 0.858 14.375 -0.370) 14.405 18.714 ( 2.507 16.262 0.323) 16.457 18.921 ( -5.033 4.142 0.171) 6.520 19.183 ( 0.749 1.144 -0.705) 1.538 21.093 ( -7.209 17.731 6.797) 20.312 21.492 ( 10.142 24.507 -10.617) 28.569 21.875 ( 0.220 31.431 0.203) 31.432 22.426 ( -5.310 10.106 0.303) 11.421 22.710 ( 6.207 37.555 -8.673) 39.041 24.800 ( -4.203 -5.336 1.949) 7.066 ======================= Grid point 376 (166/231) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 7.186 0.000 26.693) 27.644 1.661 ( 17.289 0.000 18.770) 25.519 1.809 ( 4.446 0.000 -24.827) 25.222 1.994 ( 21.622 0.000 -15.872) 26.822 2.523 ( 25.138 0.000 33.904) 42.207 3.267 ( 0.160 0.000 10.363) 10.364 3.282 ( 10.970 0.000 -24.741) 27.064 3.427 ( -2.257 -0.000 -8.239) 8.542 3.619 ( -4.859 -0.000 -0.827) 4.929 3.828 ( -8.156 -0.000 -1.809) 8.354 3.922 ( -3.852 -0.000 2.197) 4.435 4.204 ( -3.694 -0.000 0.029) 3.694 4.295 ( -5.238 -0.000 13.751) 14.715 4.519 ( -1.011 -0.000 -20.012) 20.037 5.018 ( -3.659 -0.000 14.198) 14.662 5.271 ( -4.189 -0.000 -17.274) 17.775 5.870 ( 4.351 0.000 3.888) 5.835 6.158 ( -2.860 -0.000 3.691) 4.669 6.868 ( -3.998 -0.000 1.133) 4.155 7.024 ( -6.438 -0.000 -2.065) 6.761 7.130 ( 3.413 0.000 3.725) 5.052 7.718 ( 1.316 0.000 -1.519) 2.010 9.280 ( 0.087 0.000 8.195) 8.195 9.635 ( -6.691 -0.000 -0.543) 6.713 9.974 ( -7.193 -0.000 11.231) 13.337 11.082 ( -12.068 -0.000 -2.726) 12.372 11.976 ( -7.345 -0.000 -4.581) 8.656 12.462 ( -1.444 -0.000 10.823) 10.919 13.462 ( 6.591 0.000 -1.648) 6.794 13.879 ( 3.395 0.000 -9.079) 9.693 14.103 ( 0.033 0.000 5.373) 5.373 14.521 ( 0.557 0.000 -0.896) 1.055 14.824 ( -0.106 -0.000 -9.171) 9.172 15.490 ( -10.066 -0.000 -6.902) 12.205 15.641 ( -13.286 -0.000 16.861) 21.466 16.427 ( -5.033 -0.000 -9.042) 10.349 16.919 ( 12.984 0.000 -1.679) 13.092 17.327 ( -0.467 -0.000 18.042) 18.048 17.512 ( 2.197 0.000 1.957) 2.942 17.968 ( 0.057 0.000 -17.453) 17.453 18.579 ( -14.479 -0.000 5.300) 15.418 19.292 ( -0.077 -0.000 3.604) 3.605 20.042 ( -11.291 -0.000 -7.047) 13.310 20.520 ( 0.014 0.000 -0.427) 0.427 21.258 ( -3.727 -0.000 5.169) 6.373 21.699 ( -6.728 -0.000 1.187) 6.832 22.842 ( 19.521 0.000 -12.209) 23.025 25.173 ( 16.373 0.000 8.217) 18.319 ======================= Grid point 377 (167/231) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 11.060 -9.051 19.910) 24.508 1.870 ( 9.470 -5.703 -10.175) 15.025 1.942 ( 14.331 -9.509 3.232) 17.500 2.170 ( 17.867 -2.950 -13.753) 22.740 2.872 ( 23.739 -14.862 25.841) 38.107 3.296 ( 0.327 -3.377 7.014) 7.792 3.439 ( 1.285 -6.317 -2.968) 7.097 3.502 ( -1.499 -7.983 5.625) 9.880 3.659 ( 1.650 -7.218 -16.515) 18.099 3.817 ( -2.057 -5.642 -9.318) 11.085 4.008 ( -3.902 -9.639 2.063) 10.601 4.171 ( -6.271 -3.328 2.772) 7.622 4.384 ( -3.892 -10.551 9.625) 14.802 4.550 ( -0.291 -4.809 -19.495) 20.082 5.039 ( -4.807 -5.241 13.927) 15.638 5.284 ( -4.386 -4.506 -17.391) 18.493 5.965 ( 2.789 -6.695 1.790) 7.470 6.180 ( -3.400 -4.513 5.473) 7.867 6.820 ( -5.831 0.779 -1.764) 6.141 6.968 ( -5.657 0.644 0.860) 5.758 7.216 ( 3.222 -6.075 3.704) 7.811 7.770 ( 1.279 -4.211 -2.072) 4.865 9.220 ( -0.500 5.361 7.054) 8.874 9.486 ( -7.316 9.288 0.748) 11.847 9.835 ( -4.686 8.319 11.404) 14.874 10.870 ( -13.090 10.656 -8.762) 19.018 11.784 ( -0.981 15.336 4.122) 15.911 12.225 ( 9.845 19.673 7.489) 23.239 13.399 ( 9.218 11.855 0.268) 15.019 13.489 ( 13.083 21.988 -8.672) 27.015 14.166 ( -3.123 7.910 2.028) 8.742 14.448 ( 7.588 5.541 -2.301) 9.673 15.097 ( 0.097 -10.493 -2.518) 10.792 15.401 ( -11.015 -2.798 -6.919) 13.305 15.706 ( -14.693 -12.916 14.612) 24.418 16.294 ( -6.431 5.409 -9.510) 12.691 16.848 ( 8.243 10.083 1.197) 13.079 17.276 ( 3.127 8.912 5.013) 10.693 17.747 ( -2.043 -22.220 0.698) 22.325 18.023 ( -10.736 1.431 -3.959) 11.532 18.479 ( -11.765 -9.079 0.679) 14.876 19.327 ( 2.183 8.841 3.605) 9.794 20.007 ( -11.211 -23.699 -3.865) 26.500 21.046 ( -0.115 -34.373 -4.198) 34.629 21.356 ( -3.548 -14.046 5.246) 15.408 21.783 ( -7.255 -14.755 3.007) 16.715 22.989 ( 11.743 -3.527 -11.356) 16.713 25.224 ( 14.032 6.125 5.011) 16.110 ======================= Grid point 378 (168/231) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 11.057 -17.209 11.587) 23.509 2.103 ( 8.761 -11.787 -10.558) 18.088 2.241 ( 17.005 -8.568 1.976) 19.144 2.380 ( 14.770 -6.674 -9.293) 18.682 3.301 ( 2.362 -13.481 10.694) 17.368 3.362 ( -4.391 -5.141 0.765) 6.804 3.620 ( 1.464 -9.702 5.542) 11.269 3.667 ( 9.445 -11.712 20.592) 25.503 3.795 ( -3.832 -7.010 0.853) 8.035 4.033 ( 2.011 -12.211 -12.543) 17.621 4.209 ( 0.644 -11.504 -1.833) 11.667 4.325 ( 1.702 -15.847 -5.392) 16.825 4.618 ( -3.275 -15.414 -2.914) 16.025 4.722 ( 1.851 -12.598 -9.136) 15.671 5.149 ( -5.105 -9.693 11.046) 15.557 5.372 ( -5.537 -8.441 -16.650) 19.471 6.154 ( -0.623 -11.494 -0.023) 11.511 6.285 ( -4.110 -9.245 6.461) 12.005 6.775 ( -5.817 -1.142 -2.364) 6.382 6.940 ( -3.874 -1.860 2.595) 5.020 7.403 ( 2.181 -10.864 3.429) 11.599 7.888 ( 0.759 -6.785 -2.790) 7.375 9.091 ( -2.327 7.210 1.654) 7.755 9.212 ( -7.189 11.946 1.380) 14.010 9.664 ( -0.709 5.369 8.939) 10.451 10.571 ( -8.405 10.159 -8.454) 15.662 11.446 ( 8.135 20.607 6.937) 23.215 11.980 ( 14.165 15.296 6.102) 21.723 13.141 ( 7.666 20.275 -5.346) 22.325 13.249 ( 16.568 16.358 -6.989) 24.309 13.930 ( -0.542 12.357 2.142) 12.554 14.361 ( 11.265 11.226 5.601) 16.861 14.948 ( -4.610 15.219 -4.033) 16.405 15.431 ( -8.626 1.655 -3.750) 9.551 15.828 ( -9.232 -5.310 8.616) 13.699 16.230 ( 6.790 2.287 -6.393) 9.602 16.717 ( -4.661 2.466 0.621) 5.310 17.157 ( 5.820 7.126 -2.946) 9.661 17.792 ( -22.033 -2.697 -1.388) 22.241 18.171 ( -11.075 -17.695 2.011) 20.972 18.655 ( -5.779 -9.988 10.852) 15.840 19.210 ( -0.930 -3.415 -9.483) 10.122 20.549 ( -4.379 -30.305 2.935) 30.760 21.430 ( -2.583 -13.430 -4.405) 14.368 21.898 ( -0.257 -35.075 4.412) 35.352 22.192 ( -6.006 -31.483 2.922) 32.184 23.162 ( 3.894 -9.108 -8.915) 13.326 25.169 ( 10.592 8.129 2.432) 13.572 ======================= Grid point 379 (169/231) ======================= q-point: ( 0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 8.975 -14.178 5.454) 17.644 2.412 ( 8.858 -11.814 0.335) 14.769 2.540 ( 15.455 -10.662 -6.984) 20.033 2.632 ( 10.744 -9.091 -5.478) 15.102 3.389 ( -6.668 -3.485 3.903) 8.476 3.468 ( -6.232 -6.406 2.947) 9.410 3.784 ( -2.078 -6.851 -2.033) 7.443 3.871 ( 0.572 -8.753 7.244) 11.376 4.119 ( 5.277 -17.474 14.911) 23.569 4.260 ( 4.081 -9.900 8.810) 13.867 4.454 ( 1.576 -14.535 -6.699) 16.082 4.717 ( 7.347 -15.563 -15.388) 23.086 4.888 ( 0.392 -15.394 -0.731) 15.417 5.042 ( 2.580 -16.652 -3.189) 17.150 5.341 ( -4.420 -13.592 5.981) 15.494 5.521 ( -5.900 -11.241 -16.066) 20.476 6.380 ( -4.553 -13.722 -0.001) 14.458 6.487 ( -3.956 -14.292 5.297) 15.747 6.797 ( -4.106 -5.294 -0.661) 6.732 6.996 ( -1.965 -6.239 3.058) 7.221 7.648 ( 0.357 -12.642 2.363) 12.866 8.016 ( -0.299 -5.161 -2.455) 5.723 8.880 ( -4.739 9.632 -0.323) 10.739 9.003 ( -5.561 4.714 0.423) 7.302 9.649 ( 2.105 -2.694 3.430) 4.842 10.391 ( -3.210 3.503 -2.756) 5.492 11.135 ( 11.567 18.492 3.766) 22.135 11.816 ( 10.629 11.433 8.838) 17.939 12.775 ( 2.719 20.260 -6.896) 21.574 13.059 ( 16.799 15.480 -6.596) 23.777 13.698 ( 1.109 12.368 2.686) 12.705 14.180 ( 8.503 15.003 7.938) 18.984 14.599 ( -5.384 15.342 -3.895) 16.719 15.204 ( -9.130 12.973 -5.639) 16.836 15.677 ( -2.189 14.776 2.973) 15.230 16.187 ( 12.880 11.055 0.230) 16.975 16.665 ( -0.341 5.795 0.409) 5.820 17.150 ( -5.451 -9.650 -5.003) 12.160 17.811 ( -15.682 -11.234 0.514) 19.298 18.302 ( -15.650 -8.774 1.321) 17.990 18.809 ( -3.666 -10.537 9.184) 14.450 19.410 ( -0.263 -13.630 -9.002) 16.336 21.016 ( -0.735 -19.809 2.817) 20.022 21.700 ( 0.043 -15.550 -2.330) 15.724 22.570 ( -2.259 -34.645 4.970) 35.073 22.787 ( 1.239 -28.383 -0.165) 28.410 23.427 ( -3.313 -18.911 -5.614) 20.003 25.086 ( 7.310 6.860 1.261) 10.104 ======================= Grid point 380 (170/231) ======================= q-point: ( 0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 7.789 -9.384 2.583) 12.466 2.668 ( 8.824 -8.135 3.205) 12.422 2.839 ( 9.552 -8.484 -5.067) 13.744 2.877 ( 8.207 -9.658 -6.582) 14.282 3.386 ( -5.705 -1.149 4.915) 7.617 3.517 ( -5.781 -3.570 1.345) 6.926 3.886 ( -4.340 -6.697 -1.126) 8.059 4.052 ( 1.453 -7.213 4.325) 8.535 4.388 ( -0.453 -11.062 7.821) 13.555 4.483 ( 2.124 -9.016 8.246) 12.401 4.741 ( 3.565 -10.211 -1.986) 10.996 4.965 ( 0.465 -9.944 -12.872) 16.272 5.189 ( -6.117 -12.532 2.435) 14.156 5.394 ( 10.053 -15.936 -0.789) 18.858 5.585 ( -0.296 -12.482 -2.981) 12.837 5.739 ( 2.009 -13.751 -10.060) 17.156 6.626 ( -6.028 -15.373 0.232) 16.514 6.744 ( -4.415 -14.542 3.185) 15.528 6.929 ( -2.562 -10.660 2.587) 11.265 7.147 ( -0.533 -9.832 2.027) 10.052 7.855 ( -2.741 -7.787 -0.834) 8.297 8.054 ( -0.499 -0.143 0.696) 0.868 8.751 ( -5.013 -0.364 -0.602) 5.062 8.940 ( -3.064 -2.313 -0.897) 3.943 9.762 ( 2.954 -6.029 0.053) 6.714 10.390 ( 0.111 -4.266 1.620) 4.565 10.920 ( 9.529 11.353 1.666) 14.915 11.667 ( 4.626 10.765 11.171) 16.189 12.424 ( -1.085 16.069 -9.211) 18.553 12.937 ( 14.574 7.713 -4.788) 17.170 13.450 ( 0.476 13.596 2.870) 13.904 13.912 ( 0.425 15.483 7.741) 17.315 14.313 ( -0.099 12.131 -5.069) 13.148 14.839 ( -6.386 17.983 -5.529) 19.868 15.327 ( -2.407 17.869 1.151) 18.067 16.014 ( 8.477 13.697 1.674) 16.195 16.447 ( 3.928 16.169 0.526) 16.647 17.404 ( -3.990 -16.585 -3.457) 17.405 17.894 ( -10.586 -6.832 0.988) 12.638 18.395 ( -10.171 -10.818 -0.228) 14.851 18.989 ( -3.199 -10.069 5.841) 12.072 19.649 ( -0.855 -10.882 -6.030) 12.471 21.336 ( 1.872 -13.393 1.623) 13.620 22.004 ( 2.553 -13.963 -0.879) 14.221 23.112 ( 0.832 -18.700 3.645) 19.070 23.301 ( 0.516 -26.195 -2.004) 26.277 23.840 ( -4.846 -25.103 -2.065) 25.650 25.015 ( 4.106 4.891 1.018) 6.467 ======================= Grid point 381 (171/231) ======================= q-point: ( 0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 6.456 -4.402 3.002) 8.371 2.853 ( 7.201 -4.525 2.834) 8.965 2.997 ( 4.153 -3.019 -2.999) 5.946 3.085 ( 5.637 -5.123 -7.246) 10.513 3.374 ( -3.297 -1.854 4.795) 6.107 3.533 ( -3.563 -1.937 -0.640) 4.106 3.968 ( -4.231 -4.497 1.299) 6.310 4.148 ( -1.114 -2.655 3.090) 4.224 4.561 ( -2.583 -6.632 3.906) 8.119 4.645 ( 4.146 -6.304 4.904) 8.999 4.877 ( -1.724 -4.263 0.827) 4.672 5.113 ( -4.222 -5.793 -11.043) 13.166 5.297 ( -9.686 -6.290 6.193) 13.105 5.647 ( -3.218 -7.252 -13.127) 15.338 5.905 ( 18.474 -12.507 -0.609) 22.318 6.056 ( 12.136 -12.526 0.130) 17.442 6.856 ( -7.337 -12.509 1.291) 14.560 6.971 ( -4.224 -11.646 1.419) 12.469 7.132 ( -2.571 -10.718 3.850) 11.675 7.338 ( -0.668 -9.085 0.766) 9.141 7.869 ( -3.341 1.010 -2.667) 4.392 8.095 ( 0.199 -3.368 0.659) 3.438 8.780 ( -5.634 -5.442 0.001) 7.833 9.048 ( -0.279 -8.988 -1.149) 9.066 9.889 ( 3.079 -3.708 -0.086) 4.820 10.525 ( 1.139 -7.879 3.402) 8.657 10.843 ( 5.431 2.462 1.457) 6.138 11.455 ( -0.348 12.053 10.581) 16.042 12.132 ( -3.151 12.832 -10.439) 16.840 12.942 ( 4.502 4.366 -4.356) 7.636 13.266 ( 3.000 0.578 3.911) 4.963 13.630 ( -1.593 12.139 7.512) 14.364 14.087 ( 2.104 13.314 -6.470) 14.952 14.464 ( -1.462 15.906 -4.175) 16.509 14.997 ( -2.298 13.472 0.883) 13.695 15.816 ( 3.285 10.655 1.289) 11.224 16.153 ( 2.940 15.522 0.682) 15.813 17.627 ( 2.166 -5.544 -2.272) 6.371 17.980 ( -9.544 -11.135 0.133) 14.666 18.530 ( -3.277 -7.441 0.340) 8.138 19.144 ( -2.390 -7.851 3.115) 8.778 19.812 ( -0.995 -6.750 -4.243) 8.035 21.570 ( 3.738 -8.616 1.047) 9.450 22.254 ( 4.066 -8.931 -0.350) 9.819 23.351 ( -0.234 -7.394 0.482) 7.413 23.760 ( -0.757 -19.490 -0.254) 19.506 24.247 ( -2.135 -18.062 -0.641) 18.199 24.953 ( 1.075 3.581 1.107) 3.899 ======================= Grid point 382 (172/231) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 4.538 1.129 5.239) 7.022 2.937 ( 5.719 1.238 3.581) 6.860 3.007 ( -0.075 3.235 -2.012) 3.810 3.142 ( 1.274 1.321 -8.019) 8.227 3.430 ( -0.010 -4.501 1.661) 4.798 3.552 ( -0.773 -1.800 -0.949) 2.177 3.988 ( -4.675 -0.916 2.200) 5.247 4.151 ( -2.361 0.734 3.175) 4.024 4.606 ( -4.647 -1.285 5.977) 7.680 4.778 ( 6.021 -2.722 -0.517) 6.628 4.908 ( -2.875 -0.786 -0.008) 2.981 5.124 ( -8.491 -0.782 -8.949) 12.361 5.314 ( -6.870 -1.641 7.596) 10.373 5.707 ( -2.374 -1.869 -15.846) 16.132 6.223 ( 16.738 -6.219 3.373) 18.172 6.367 ( 18.930 -6.626 1.239) 20.094 6.978 ( -8.457 -5.555 2.344) 10.386 7.094 ( -6.818 -4.184 0.341) 8.007 7.264 ( -1.942 -3.904 3.091) 5.345 7.443 ( -1.152 -2.057 0.623) 2.438 7.878 ( -0.307 -4.094 -3.943) 5.692 8.158 ( 0.743 -3.237 -1.463) 3.629 8.836 ( -4.848 -3.241 1.762) 6.092 9.228 ( 0.848 -8.043 -0.504) 8.103 9.904 ( 1.233 4.709 0.157) 4.870 10.654 ( 0.219 -2.996 2.673) 4.022 10.834 ( 2.083 5.005 8.649) 10.207 11.297 ( -2.219 -0.740 2.305) 3.284 11.886 ( -3.527 8.903 -11.556) 15.008 12.756 ( -6.577 10.291 0.961) 12.250 13.406 ( -0.391 4.347 8.415) 9.480 13.559 ( 7.040 -14.209 0.430) 15.863 13.843 ( 3.509 9.883 -5.958) 12.061 14.245 ( 1.088 6.462 -3.221) 7.302 14.802 ( -1.265 4.881 0.157) 5.045 15.664 ( -0.105 5.776 0.441) 5.794 15.936 ( 1.366 7.715 0.665) 7.863 17.674 ( 0.946 0.377 -1.466) 1.785 18.157 ( -2.742 -10.102 -0.520) 10.480 18.627 ( -0.564 -4.103 1.323) 4.348 19.252 ( -0.975 -4.496 0.890) 4.686 19.897 ( -0.729 -2.742 -3.176) 4.259 21.719 ( 4.720 -3.490 0.873) 5.935 22.400 ( 4.595 -2.814 -0.212) 5.393 23.416 ( -2.604 -0.512 -0.175) 2.659 24.011 ( -0.989 -6.650 -0.190) 6.726 24.479 ( -0.294 -6.557 -0.093) 6.564 24.887 ( -1.429 3.128 1.126) 3.618 ======================= Grid point 383 (173/231) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 3.105 7.325 8.368) 11.547 2.828 ( -1.168 10.854 7.349) 13.160 2.937 ( 2.858 5.569 -5.920) 8.616 3.063 ( -1.537 6.701 -10.680) 12.702 3.522 ( 0.352 -4.504 1.394) 4.728 3.588 ( 0.561 -1.863 -1.161) 2.266 3.939 ( -4.387 2.310 3.158) 5.878 4.099 ( -2.490 2.492 2.973) 4.610 4.554 ( -3.110 3.696 11.262) 12.254 4.828 ( 4.934 1.712 -4.580) 6.946 4.866 ( -2.688 3.025 -3.042) 5.063 5.034 ( -7.914 3.430 -10.451) 13.551 5.264 ( -2.770 3.144 9.461) 10.347 5.688 ( -1.785 2.253 -15.532) 15.795 6.390 ( 14.957 0.947 7.664) 16.832 6.548 ( 17.452 2.479 0.045) 17.627 6.935 ( -10.578 2.959 3.382) 11.493 7.037 ( -7.355 3.349 -2.557) 8.477 7.246 ( -0.918 4.633 1.856) 5.074 7.412 ( -0.394 4.449 0.136) 4.468 7.995 ( 1.118 -6.679 -2.996) 7.405 8.238 ( 1.549 -3.636 -1.946) 4.405 8.815 ( -3.153 2.331 2.385) 4.589 9.339 ( 2.461 -1.907 0.407) 3.140 9.721 ( -2.609 12.703 -0.346) 12.973 10.566 ( -1.360 11.100 10.561) 15.381 10.700 ( -0.601 6.592 1.679) 6.829 11.440 ( -2.325 -10.866 -3.387) 11.616 11.782 ( -2.843 -1.000 -8.509) 9.027 12.502 ( -5.104 10.220 3.596) 11.976 13.325 ( 1.195 2.191 6.473) 6.938 13.646 ( 1.432 1.952 -3.409) 4.181 14.114 ( 5.277 -22.964 -0.838) 23.577 14.237 ( 1.697 -6.566 -2.091) 7.097 14.790 ( -0.725 -4.125 -0.427) 4.210 15.613 ( -1.328 -1.330 -0.132) 1.884 15.887 ( 0.155 -2.158 0.501) 2.221 17.656 ( 0.305 1.730 -0.935) 1.990 18.303 ( 0.881 -5.683 -0.288) 5.758 18.682 ( 0.431 -1.520 1.381) 2.098 19.304 ( 0.232 -1.204 -0.418) 1.295 19.908 ( -0.316 1.277 -2.615) 2.928 21.771 ( 4.592 1.699 0.935) 4.985 22.431 ( 4.578 3.009 -0.240) 5.484 23.338 ( -4.011 5.783 -0.329) 7.045 23.994 ( -1.146 7.657 -0.337) 7.750 24.500 ( 0.610 4.277 0.263) 4.328 24.813 ( -2.838 2.794 0.915) 4.086 ======================= Grid point 384 (174/231) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 0.565 18.094 12.812) 22.178 2.592 ( -1.281 11.645 6.279) 13.292 2.786 ( 2.009 12.284 -11.010) 16.617 2.866 ( -2.863 11.129 -10.460) 15.540 3.592 ( -1.250 -2.337 3.494) 4.385 3.633 ( 1.746 -2.101 -1.987) 3.378 3.848 ( -2.205 4.283 5.039) 6.971 4.028 ( -1.609 3.146 2.891) 4.565 4.415 ( -0.875 9.375 17.999) 20.313 4.745 ( -2.974 6.768 -4.156) 8.480 4.788 ( 1.564 5.366 -8.391) 10.082 4.893 ( -2.443 6.352 -16.924) 18.241 5.152 ( 1.390 8.015 12.351) 14.789 5.578 ( -2.380 7.898 -15.820) 17.841 6.381 ( 10.547 11.643 8.218) 17.730 6.517 ( 10.888 10.961 0.699) 15.465 6.735 ( -11.776 7.209 5.714) 14.943 6.911 ( -2.037 5.250 -4.825) 7.416 7.084 ( -0.643 10.827 -0.152) 10.847 7.280 ( -0.031 8.394 0.251) 8.398 8.105 ( 1.873 -1.408 -0.104) 2.346 8.290 ( 0.203 -0.540 -1.457) 1.567 8.733 ( -0.628 2.751 0.135) 2.825 9.350 ( 7.041 4.771 -0.217) 8.508 9.450 ( -7.782 7.938 0.456) 11.126 10.352 ( -1.634 7.535 12.027) 14.286 10.569 ( -1.118 5.250 -1.654) 5.617 11.530 ( -4.414 1.496 -5.514) 7.220 11.823 ( -1.224 -4.104 -1.290) 4.473 12.404 ( 0.223 -4.330 1.716) 4.663 13.360 ( 1.133 -4.929 3.231) 6.002 13.670 ( -1.416 -3.908 -1.803) 4.531 14.373 ( 1.215 -10.972 -2.391) 11.295 14.688 ( 3.871 -25.610 0.671) 25.910 14.936 ( -1.238 -11.396 -0.942) 11.502 15.681 ( -0.928 -5.775 0.506) 5.871 16.025 ( -0.325 -11.980 -0.066) 11.985 17.609 ( 0.389 3.566 -0.009) 3.587 18.394 ( 1.338 -3.005 -0.048) 3.290 18.692 ( 0.604 0.771 0.638) 1.169 19.306 ( 0.874 1.352 -0.851) 1.821 19.839 ( -0.069 5.912 -2.235) 6.321 21.721 ( 2.995 6.318 1.259) 7.105 22.355 ( 3.923 8.008 -0.656) 8.942 23.145 ( -3.726 10.762 -0.248) 11.391 23.708 ( -1.032 20.441 -0.382) 20.471 24.328 ( 1.211 14.170 -0.024) 14.221 24.744 ( -2.688 2.028 0.863) 3.476 ======================= Grid point 385 (175/231) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 1.472 21.774 14.971) 26.465 2.314 ( 0.417 17.239 5.007) 17.957 2.498 ( -1.384 16.215 -15.450) 22.440 2.609 ( 0.299 14.426 -8.740) 16.870 3.592 ( -0.198 1.809 1.527) 2.376 3.676 ( 0.056 -0.912 3.195) 3.323 3.747 ( 0.269 5.776 6.901) 9.003 3.942 ( -0.377 6.212 5.026) 8.000 4.197 ( 0.254 11.567 22.449) 25.255 4.564 ( -1.833 9.995 -6.868) 12.265 4.633 ( -2.920 9.585 -15.431) 18.399 4.773 ( 3.513 6.580 -18.148) 19.621 4.973 ( 3.724 12.342 13.797) 18.883 5.335 ( -3.257 14.712 -15.706) 21.765 6.079 ( 0.168 21.396 5.646) 22.129 6.266 ( 1.385 18.715 -1.596) 18.834 6.568 ( -3.011 6.097 8.326) 10.750 6.776 ( 2.031 10.767 4.333) 11.782 6.879 ( 0.199 7.125 -7.131) 10.083 7.124 ( 0.021 6.505 -0.353) 6.514 7.991 ( -0.221 13.275 5.258) 14.280 8.254 ( -0.560 4.938 -5.256) 7.234 8.785 ( 0.966 -8.701 -1.050) 8.817 9.217 ( -0.548 6.366 -1.071) 6.478 9.419 ( 0.457 -3.033 1.189) 3.290 10.306 ( 1.605 -3.623 15.644) 16.138 10.544 ( -2.005 -5.226 -2.924) 6.315 11.367 ( -1.223 8.674 -4.411) 9.807 11.954 ( 0.665 -9.097 0.635) 9.143 12.605 ( 1.411 -13.041 -1.453) 13.197 13.519 ( 0.030 -10.483 1.300) 10.563 13.763 ( -1.944 -6.931 -1.629) 7.381 14.610 ( 0.438 -12.222 -0.854) 12.259 15.117 ( 1.397 -15.321 0.310) 15.387 15.247 ( -0.061 -21.822 -2.070) 21.920 15.804 ( -0.523 -7.222 1.649) 7.427 16.315 ( -0.053 -16.986 -0.201) 16.987 17.508 ( 0.166 7.618 1.098) 7.699 18.433 ( -0.612 -0.292 -0.370) 0.772 18.679 ( 0.440 0.103 -0.109) 0.465 19.264 ( -0.233 3.294 -0.690) 3.374 19.664 ( -0.108 12.445 -1.525) 12.539 21.575 ( -0.491 9.650 2.167) 9.902 22.176 ( 1.321 12.566 -2.279) 12.839 22.887 ( -0.848 13.611 0.843) 13.663 23.210 ( -0.511 29.766 -0.720) 29.779 23.970 ( 1.793 23.813 -1.919) 23.957 24.704 ( -1.106 0.416 1.429) 1.854 ======================= Grid point 386 (176/231) ======================= q-point: (-0.08 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 9.263 19.635 16.057) 27.003 1.944 ( 2.946 21.482 3.940) 22.038 2.183 ( 0.216 14.834 -14.577) 20.799 2.319 ( 2.286 15.772 -11.541) 19.677 3.489 ( 3.141 14.742 9.691) 17.919 3.548 ( 0.761 11.900 10.577) 15.939 3.687 ( -1.984 0.531 8.991) 9.222 3.776 ( -0.632 7.340 7.420) 10.456 4.041 ( -0.942 5.474 9.338) 10.865 4.299 ( 1.417 17.892 -16.833) 24.607 4.429 ( -2.350 7.689 -10.296) 13.063 4.656 ( -1.770 7.438 -10.048) 12.626 4.754 ( 6.733 12.852 5.422) 15.489 4.990 ( -2.215 17.524 -13.548) 22.261 5.639 ( -3.871 20.862 7.364) 22.459 5.891 ( -3.035 17.856 -6.598) 19.276 6.362 ( 0.380 13.986 6.942) 15.618 6.565 ( 0.680 10.878 1.456) 10.996 6.816 ( 1.643 1.172 1.308) 2.405 7.051 ( -0.441 1.193 -2.938) 3.202 7.673 ( -1.035 17.173 5.889) 18.184 8.089 ( -0.758 10.398 -6.207) 12.134 9.034 ( -1.842 -14.309 0.172) 14.428 9.147 ( 0.488 -0.280 -0.609) 0.829 9.520 ( 0.107 -7.209 2.938) 7.785 10.557 ( 8.577 -18.805 21.648) 29.931 10.731 ( -8.980 -16.144 -4.869) 19.104 11.306 ( 7.831 -2.451 -5.426) 9.838 12.172 ( 5.355 -11.337 0.629) 12.554 12.883 ( 1.252 -14.322 -3.852) 14.884 13.746 ( -1.127 -12.956 0.307) 13.009 13.914 ( -0.034 -9.530 -0.747) 9.560 14.839 ( -1.027 -11.611 -0.778) 11.682 15.391 ( 1.738 -12.387 -0.570) 12.521 15.670 ( 0.511 -20.627 -2.356) 20.767 15.942 ( -0.723 -7.196 2.316) 7.594 16.641 ( 0.052 -15.702 0.632) 15.715 17.296 ( -0.959 14.254 0.945) 14.318 18.382 ( -3.932 4.001 -0.766) 5.662 18.714 ( -0.839 -3.320 -0.614) 3.479 19.143 ( -7.116 8.868 0.655) 11.389 19.366 ( 2.238 16.568 -0.770) 16.737 21.334 ( -7.024 13.233 4.705) 15.704 21.884 ( -3.241 16.444 -6.737) 18.064 22.553 ( 1.951 33.255 3.967) 33.548 22.651 ( 2.147 15.497 -1.320) 15.700 23.440 ( 2.997 32.102 -7.272) 33.051 24.723 ( 2.116 -2.202 3.008) 4.287 ======================= Grid point 390 (177/231) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 8.353 0.000 24.197) 25.599 1.883 ( 5.985 0.000 -23.308) 24.064 1.911 ( 16.389 0.000 19.251) 25.282 2.272 ( 16.284 0.000 -12.159) 20.323 2.956 ( 29.064 0.000 15.971) 33.163 3.267 ( -0.388 -0.000 7.917) 7.926 3.394 ( -1.954 -0.000 -6.360) 6.653 3.414 ( 5.650 0.000 7.354) 9.274 3.582 ( -2.550 -0.000 -10.463) 10.770 3.767 ( 6.785 0.000 -15.048) 16.507 3.856 ( -5.063 -0.000 2.196) 5.518 4.140 ( -5.046 -0.000 -0.031) 5.046 4.214 ( -5.688 -0.000 17.002) 17.928 4.484 ( -3.414 -0.000 -20.395) 20.678 4.947 ( -6.172 -0.000 14.914) 16.141 5.215 ( -2.858 -0.000 -17.617) 17.847 5.917 ( 1.361 0.000 0.658) 1.512 6.114 ( -3.177 -0.000 5.851) 6.658 6.771 ( -8.937 -0.000 -3.116) 9.465 6.934 ( -5.746 -0.000 2.160) 6.139 7.184 ( 3.683 0.000 3.874) 5.346 7.740 ( 1.593 0.000 -1.755) 2.370 9.274 ( -1.221 -0.000 8.185) 8.275 9.525 ( -7.710 -0.000 1.744) 7.905 9.885 ( -5.534 -0.000 12.221) 13.415 10.890 ( -12.558 -0.000 -10.394) 16.301 11.917 ( -1.504 -0.000 0.242) 1.524 12.494 ( 5.283 0.000 10.966) 12.172 13.531 ( 2.403 0.000 -7.024) 7.423 13.933 ( 4.807 0.000 -6.982) 8.477 14.104 ( 0.030 0.000 5.403) 5.403 14.554 ( 4.000 0.000 1.032) 4.131 14.821 ( -0.135 -0.000 -9.203) 9.204 15.330 ( -11.469 -0.000 0.321) 11.474 15.526 ( -3.295 -0.000 10.210) 10.728 16.287 ( -12.362 -0.000 -7.726) 14.577 17.076 ( 7.422 0.000 0.140) 7.423 17.323 ( -0.470 -0.000 18.028) 18.034 17.552 ( 3.471 0.000 -0.002) 3.471 17.965 ( -0.017 -0.000 -17.408) 17.408 18.410 ( -8.395 -0.000 2.299) 8.704 19.291 ( -0.091 -0.000 3.565) 3.566 19.905 ( -7.870 -0.000 -6.653) 10.305 20.520 ( 0.021 0.000 -0.414) 0.414 21.207 ( -2.996 -0.000 8.556) 9.066 21.611 ( -5.479 -0.000 0.830) 5.541 23.036 ( 8.393 0.000 -10.276) 13.268 25.384 ( 11.226 0.000 3.592) 11.787 ======================= Grid point 391 (178/231) ======================= q-point: ( 0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 10.431 -10.840 17.457) 23.045 1.975 ( 7.039 -6.199 -15.855) 18.422 2.169 ( 14.735 -10.922 10.804) 21.287 2.401 ( 13.743 -2.309 -9.138) 16.665 3.167 ( 11.317 -4.418 6.872) 13.958 3.273 ( -3.566 -0.706 2.957) 4.686 3.428 ( -2.647 -7.311 -2.148) 8.066 3.543 ( 4.367 -8.548 8.452) 12.790 3.655 ( 4.421 -5.987 7.361) 10.468 3.883 ( 4.560 -5.762 -7.228) 10.307 3.992 ( 3.622 -12.030 -9.589) 15.804 4.112 ( 2.207 -5.366 2.185) 6.200 4.316 ( -4.745 -11.206 9.549) 15.469 4.527 ( -2.372 -7.519 -19.089) 20.654 4.957 ( -6.390 -5.666 13.691) 16.137 5.232 ( -2.197 -3.711 -17.065) 17.601 5.973 ( -2.405 -5.794 -0.295) 6.280 6.129 ( -3.662 -4.056 5.144) 7.505 6.703 ( -9.225 -0.460 -2.612) 9.599 6.892 ( -4.837 -0.142 2.955) 5.670 7.265 ( 3.216 -5.529 3.780) 7.430 7.791 ( 1.517 -3.951 -2.102) 4.725 9.203 ( -1.813 5.580 5.248) 7.872 9.377 ( -7.216 9.126 2.082) 11.819 9.772 ( -4.408 6.421 10.986) 13.467 10.703 ( -8.940 9.054 -11.369) 17.063 11.795 ( 2.056 11.359 2.986) 11.924 12.384 ( 11.171 14.027 9.938) 20.502 13.426 ( -1.000 10.505 -11.661) 15.727 13.743 ( 16.649 15.563 -3.005) 22.988 14.141 ( -0.043 6.448 4.626) 7.936 14.562 ( 7.903 1.367 -0.317) 8.026 15.094 ( -0.776 -11.431 -0.371) 11.463 15.249 ( -9.542 -3.232 -7.673) 12.664 15.523 ( -9.750 -6.077 13.574) 17.784 16.167 ( -10.231 -1.639 -9.162) 13.831 16.927 ( 2.589 14.889 2.305) 15.287 17.335 ( 4.457 4.075 6.410) 8.807 17.712 ( -2.935 -12.621 0.453) 12.965 17.886 ( -6.744 12.561 -3.779) 14.750 18.367 ( -4.300 -13.275 -2.639) 14.201 19.328 ( -2.081 14.192 0.610) 14.357 19.890 ( -5.030 -28.861 -2.058) 29.369 21.041 ( -0.380 -32.370 -2.780) 32.491 21.318 ( -1.911 -16.409 7.653) 18.207 21.688 ( -5.824 -13.278 2.073) 14.647 23.100 ( 4.462 -1.951 -8.346) 9.663 25.388 ( 8.102 6.292 1.901) 10.433 ======================= Grid point 392 (179/231) ======================= q-point: ( 0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 10.248 -16.078 8.214) 20.760 2.218 ( 7.584 -12.805 -8.596) 17.186 2.477 ( 14.685 -9.102 0.067) 17.277 2.571 ( 11.144 -5.942 -2.767) 12.929 3.259 ( -6.139 -3.506 3.440) 7.862 3.299 ( -4.064 -5.770 1.723) 7.265 3.601 ( -3.050 -10.420 -1.469) 10.956 3.717 ( -2.783 -6.162 4.119) 7.917 3.852 ( 5.114 -12.990 10.709) 17.595 4.104 ( 5.500 -11.767 -1.361) 13.060 4.207 ( 5.215 -10.526 9.717) 15.245 4.439 ( 7.458 -17.891 -4.674) 19.939 4.589 ( 3.933 -16.200 -8.237) 18.595 4.734 ( -0.163 -14.768 -8.954) 17.272 5.074 ( -4.786 -10.664 9.873) 15.300 5.323 ( -0.608 -7.071 -16.496) 17.958 6.094 ( -7.887 -10.344 -0.069) 13.008 6.225 ( -4.394 -9.150 3.541) 10.750 6.675 ( -7.129 -3.186 -2.105) 8.088 6.889 ( -3.011 -3.000 4.132) 5.928 7.436 ( 2.102 -9.788 3.281) 10.536 7.903 ( 1.229 -6.168 -2.385) 6.727 9.052 ( -2.920 8.828 -0.080) 9.299 9.107 ( -6.772 11.305 1.986) 13.327 9.649 ( -1.597 2.572 7.560) 8.143 10.478 ( -4.298 7.913 -7.126) 11.483 11.555 ( 6.604 16.234 2.811) 17.750 12.180 ( 12.742 15.848 10.530) 22.899 13.134 ( -3.535 17.389 -12.174) 21.519 13.554 ( 19.348 18.263 -4.152) 26.928 13.949 ( 3.326 12.399 3.897) 13.416 14.515 ( 8.065 11.436 7.155) 15.717 14.895 ( -1.199 16.700 -3.895) 17.190 15.310 ( -7.254 3.312 -5.716) 9.812 15.686 ( -9.995 -13.853 9.521) 19.557 16.323 ( 5.603 -11.241 -7.146) 14.450 16.643 ( -5.235 9.526 1.557) 10.981 17.249 ( 6.585 11.615 -5.322) 14.373 17.485 ( -18.700 0.442 0.405) 18.710 18.030 ( -8.480 -11.506 2.834) 14.572 18.596 ( -2.709 -9.295 12.145) 15.532 19.177 ( -3.086 -6.410 -13.445) 15.211 20.522 ( 0.011 -31.450 3.041) 31.596 21.406 ( -0.750 -14.457 -0.894) 14.504 21.879 ( -2.479 -32.641 4.544) 33.049 22.125 ( -3.078 -35.385 0.949) 35.531 23.190 ( 0.501 -6.061 -6.014) 8.553 25.290 ( 5.960 8.427 0.820) 10.354 ======================= Grid point 393 (180/231) ======================= q-point: ( 0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 8.337 -13.215 2.502) 15.824 2.536 ( 7.969 -12.592 -1.004) 14.936 2.747 ( 12.749 -8.890 -8.328) 17.633 2.780 ( 9.188 -7.230 1.254) 11.758 3.288 ( -7.143 -3.929 3.855) 9.018 3.374 ( -6.301 -6.002 2.573) 9.074 3.712 ( -6.273 -6.594 -2.136) 9.348 3.879 ( -0.809 -10.536 2.955) 10.973 4.151 ( 2.076 -13.811 8.292) 16.242 4.321 ( 1.981 -9.530 7.656) 12.384 4.524 ( 4.525 -14.297 1.327) 15.055 4.770 ( 1.212 -11.906 -7.294) 14.015 4.900 ( 0.971 -13.360 -3.011) 13.730 5.097 ( 3.328 -19.060 -3.735) 19.705 5.322 ( 4.286 -15.845 2.800) 16.651 5.513 ( 5.284 -11.766 -12.817) 18.184 6.263 ( -11.288 -14.574 0.260) 18.436 6.414 ( -6.487 -13.926 2.043) 15.498 6.735 ( -3.875 -7.426 -1.150) 8.455 6.974 ( -0.997 -7.201 4.561) 8.583 7.653 ( 0.185 -10.862 1.928) 11.033 8.019 ( 0.735 -4.184 -1.874) 4.643 8.803 ( -5.655 9.698 0.811) 11.256 8.935 ( -3.454 3.976 -0.897) 5.343 9.666 ( 0.300 -4.245 2.251) 4.815 10.361 ( -1.107 1.681 -1.703) 2.636 11.278 ( 7.800 17.267 1.489) 19.005 11.966 ( 9.486 14.789 12.308) 21.452 12.740 ( -5.284 18.560 -10.685) 22.059 13.322 ( 17.035 18.552 -4.797) 25.640 13.725 ( 1.958 13.236 3.108) 13.736 14.239 ( -0.971 18.028 7.912) 19.711 14.595 ( 5.152 15.203 -3.890) 16.516 15.087 ( -6.381 12.385 -5.723) 15.062 15.644 ( -2.116 13.961 3.624) 14.578 16.374 ( 12.061 13.229 0.584) 17.911 16.644 ( -2.726 -6.502 -0.643) 7.080 17.053 ( -7.082 -0.473 -3.939) 8.118 17.637 ( -7.850 -18.206 -2.294) 19.959 18.076 ( -14.585 -6.807 2.083) 16.229 18.771 ( -1.799 -10.637 11.192) 15.545 19.400 ( -0.810 -13.901 -11.331) 17.952 21.030 ( 2.182 -20.420 2.786) 20.724 21.715 ( 1.703 -16.890 -0.718) 16.990 22.525 ( -3.519 -36.218 4.385) 36.652 22.808 ( 1.592 -31.107 -0.780) 31.157 23.373 ( -3.790 -15.563 -3.729) 16.447 25.168 ( 3.975 7.621 0.470) 8.608 ======================= Grid point 394 (181/231) ======================= q-point: ( 0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 6.916 -8.825 1.166) 11.272 2.787 ( 6.901 -7.653 1.436) 10.405 2.963 ( 7.328 -5.012 0.255) 8.882 3.001 ( 8.416 -8.382 -8.779) 14.770 3.300 ( -6.050 -2.666 4.910) 8.235 3.437 ( -4.860 -4.736 0.779) 6.831 3.810 ( -5.655 -7.601 0.548) 9.490 4.045 ( -1.902 -7.066 2.930) 7.882 4.397 ( 1.319 -9.550 5.084) 10.899 4.526 ( 4.329 -9.157 6.947) 12.282 4.738 ( -4.392 -8.244 -0.122) 9.342 4.959 ( -1.368 -7.543 -12.988) 15.082 5.087 ( -5.731 -8.764 7.703) 13.000 5.426 ( -1.663 -13.611 -12.128) 18.307 5.737 ( 15.415 -17.545 1.196) 23.385 5.869 ( 15.085 -16.382 -2.183) 22.376 6.486 ( -12.806 -16.971 0.510) 21.267 6.649 ( -8.571 -15.532 -0.068) 17.740 6.902 ( -1.227 -11.182 1.356) 11.331 7.144 ( 0.087 -10.047 2.905) 10.459 7.813 ( -2.671 -5.192 -1.222) 5.965 8.063 ( 1.305 -0.702 0.199) 1.495 8.667 ( -5.832 -0.255 1.775) 6.102 8.914 ( -0.787 -3.854 -2.476) 4.648 9.789 ( 0.890 -7.126 0.206) 7.184 10.398 ( 0.641 -5.242 1.241) 5.425 11.032 ( 5.725 12.429 0.969) 13.718 11.735 ( 4.343 14.925 12.841) 20.162 12.371 ( -5.110 15.100 -9.612) 18.615 13.133 ( 11.856 11.057 -4.036) 16.707 13.447 ( -1.907 14.809 1.020) 14.966 13.894 ( -1.079 15.463 9.802) 18.339 14.355 ( 3.676 13.488 -8.845) 16.543 14.776 ( -1.639 16.038 -3.129) 16.422 15.284 ( -3.028 18.005 1.668) 18.334 16.120 ( 5.559 17.144 0.952) 18.048 16.507 ( 3.955 16.662 0.860) 17.147 17.325 ( -6.173 -24.604 -2.115) 25.454 17.788 ( -4.018 -2.366 -1.027) 4.774 18.252 ( -8.563 -17.821 -0.438) 19.777 18.955 ( -1.576 -9.478 7.153) 11.978 19.636 ( -0.713 -10.697 -7.322) 12.983 21.377 ( 3.206 -13.969 1.919) 14.460 22.050 ( 3.305 -14.853 -0.428) 15.222 23.121 ( 0.690 -20.881 4.125) 21.296 23.295 ( -1.239 -23.652 -3.072) 23.883 23.776 ( -3.652 -26.673 -1.033) 26.941 25.058 ( 1.870 6.033 0.583) 6.343 ======================= Grid point 395 (182/231) ======================= q-point: ( 0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 4.761 -3.411 2.425) 6.340 2.941 ( 4.464 -4.032 0.419) 6.029 3.056 ( 3.289 0.011 1.695) 3.700 3.152 ( 3.381 -2.162 -7.763) 8.739 3.335 ( -1.721 -4.638 2.981) 5.776 3.492 ( -1.829 -3.590 -0.909) 4.131 3.898 ( -4.682 -4.928 2.029) 7.094 4.122 ( -2.057 -2.443 3.619) 4.827 4.529 ( -0.664 -4.214 7.781) 8.873 4.724 ( 4.723 -6.910 -0.383) 8.379 4.829 ( -3.537 -4.925 -1.492) 6.245 5.024 ( -6.735 -3.153 -13.173) 15.127 5.198 ( -3.623 -6.050 12.692) 14.519 5.607 ( -1.893 -6.910 -16.302) 17.807 6.152 ( 14.867 -12.914 5.121) 20.347 6.308 ( 19.956 -14.016 0.271) 24.388 6.703 ( -12.942 -14.359 2.287) 19.466 6.863 ( -10.131 -12.604 -1.582) 16.248 7.113 ( -0.460 -10.131 2.092) 10.355 7.333 ( 0.039 -8.396 0.761) 8.431 7.827 ( -2.226 -0.564 -3.091) 3.850 8.106 ( 1.079 -2.507 -0.581) 2.791 8.699 ( -4.884 -5.890 3.269) 8.320 9.054 ( 0.777 -9.464 -2.989) 9.955 9.917 ( 0.873 -4.163 0.853) 4.338 10.541 ( 0.791 -7.799 2.218) 8.147 10.905 ( 3.002 3.748 1.926) 5.174 11.455 ( 0.316 14.805 10.140) 17.947 12.075 ( -3.805 12.441 -8.341) 15.454 12.965 ( -0.011 14.100 -4.298) 14.740 13.303 ( 1.290 -4.688 1.081) 4.981 13.641 ( 2.975 11.029 10.801) 15.721 14.108 ( -0.283 13.460 -10.954) 17.356 14.467 ( 1.781 14.901 -2.320) 15.185 14.965 ( -1.707 12.454 1.816) 12.701 15.847 ( 0.937 12.783 0.621) 12.833 16.192 ( 2.122 16.474 1.068) 16.644 17.667 ( 3.319 -5.385 -2.012) 6.638 17.851 ( -7.793 -14.667 -0.194) 16.610 18.493 ( -1.688 -9.911 0.204) 10.056 19.118 ( -1.150 -8.165 3.536) 8.972 19.800 ( -0.557 -6.747 -4.977) 8.402 21.626 ( 3.222 -9.170 1.448) 9.826 22.313 ( 3.527 -9.349 -0.398) 10.000 23.342 ( -0.665 -5.793 0.564) 5.859 23.743 ( -1.310 -19.961 -0.453) 20.009 24.223 ( -1.097 -19.337 -0.172) 19.368 24.960 ( 0.094 4.836 0.835) 4.908 ======================= Grid point 396 (183/231) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 2.037 1.852 4.947) 5.662 2.991 ( 1.120 4.200 2.103) 4.829 3.018 ( 1.159 2.224 0.989) 2.696 3.154 ( 0.840 2.976 -8.840) 9.366 3.430 ( -0.139 -4.874 1.059) 4.989 3.549 ( 0.428 -2.770 -1.613) 3.234 3.926 ( -2.953 -0.961 2.587) 4.041 4.121 ( -1.452 0.908 3.182) 3.614 4.571 ( 0.104 -0.460 11.655) 11.665 4.832 ( -1.574 -2.637 -2.467) 3.939 4.881 ( 1.763 -1.040 -7.116) 7.404 5.010 ( -5.313 -0.426 -10.934) 12.163 5.264 ( -0.116 -2.002 12.988) 13.142 5.674 ( -2.226 -1.947 -15.347) 15.629 6.440 ( 12.430 -6.212 8.924) 16.515 6.645 ( 15.822 -5.871 -1.069) 16.910 6.822 ( -11.220 -6.373 3.317) 13.323 6.959 ( -9.774 -4.957 -1.906) 11.124 7.251 ( -0.352 -3.716 1.205) 3.923 7.438 ( 0.288 -2.032 -0.878) 2.232 7.871 ( -0.524 -5.308 -3.224) 6.232 8.169 ( 0.675 -3.570 -2.245) 4.271 8.776 ( -2.843 -3.926 4.142) 6.376 9.244 ( 1.145 -8.375 -2.130) 8.717 9.911 ( -0.240 5.894 1.224) 6.025 10.657 ( 0.215 -2.135 1.469) 2.600 10.862 ( 1.372 6.473 10.290) 12.234 11.270 ( -1.014 -0.075 0.878) 1.343 11.837 ( -2.497 8.460 -9.608) 13.043 12.690 ( -1.876 12.025 -0.569) 12.184 13.400 ( -0.194 2.746 7.259) 7.764 13.653 ( 5.157 -11.239 2.806) 12.680 13.864 ( -1.390 6.790 -7.610) 10.293 14.258 ( 0.493 6.880 -2.860) 7.467 14.794 ( 0.446 4.490 0.421) 4.532 15.655 ( -0.878 6.614 0.303) 6.679 15.952 ( 0.673 8.461 0.797) 8.525 17.684 ( 0.388 1.140 -1.343) 1.804 18.126 ( -1.236 -13.008 -0.503) 13.076 18.622 ( -0.137 -4.710 1.398) 4.915 19.243 ( -0.176 -5.022 0.761) 5.082 19.889 ( -0.214 -2.851 -3.580) 4.582 21.774 ( 2.109 -3.977 1.261) 4.675 22.457 ( 2.480 -3.118 -0.533) 4.020 23.382 ( -1.522 0.654 -0.027) 1.657 23.998 ( -0.663 -6.649 -0.166) 6.684 24.477 ( 0.005 -7.165 0.015) 7.165 24.870 ( -0.732 4.258 1.016) 4.438 ======================= Grid point 397 (184/231) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 0.097 6.996 6.784) 9.746 2.815 ( -0.116 12.065 8.785) 14.925 2.970 ( 0.342 5.284 -5.722) 7.796 3.046 ( 0.281 8.543 -11.684) 14.477 3.511 ( -1.728 -4.080 3.251) 5.496 3.605 ( 1.576 -2.381 -2.854) 4.038 3.902 ( -0.208 2.099 3.563) 4.141 4.079 ( -0.101 2.555 2.595) 3.643 4.548 ( 1.768 4.002 15.188) 15.806 4.811 ( -4.046 2.256 -4.773) 6.651 4.873 ( -0.012 3.023 -7.050) 7.671 4.971 ( 1.133 2.510 -12.500) 12.800 5.274 ( 3.583 2.537 11.934) 12.716 5.651 ( -3.020 2.328 -14.538) 15.030 6.571 ( 6.499 0.334 10.763) 12.578 6.715 ( -1.808 4.104 -0.244) 4.491 6.774 ( -6.447 4.449 3.113) 8.429 6.960 ( 2.020 0.849 -4.168) 4.709 7.239 ( -0.236 4.678 0.488) 4.710 7.417 ( 0.955 4.497 -1.191) 4.749 8.001 ( -0.438 -7.670 -2.048) 7.951 8.246 ( -0.233 -3.420 -1.786) 3.866 8.790 ( 0.078 1.396 2.629) 2.978 9.364 ( 0.655 -3.039 -0.491) 3.147 9.695 ( -0.665 14.598 0.567) 14.624 10.564 ( 0.890 11.764 8.410) 14.488 10.697 ( 0.123 7.876 3.152) 8.485 11.401 ( -2.652 -9.571 -1.527) 10.048 11.766 ( 1.139 -1.943 -8.659) 8.947 12.476 ( 1.367 9.425 1.621) 9.661 13.339 ( 0.482 1.819 6.604) 6.867 13.650 ( -0.934 3.102 -2.777) 4.267 14.147 ( -0.509 -20.035 -0.910) 20.063 14.251 ( -0.237 -10.525 -1.741) 10.671 14.794 ( 1.215 -3.545 -1.139) 3.917 15.596 ( -0.890 -1.234 0.448) 1.586 15.890 ( 0.182 -1.823 0.319) 1.860 17.658 ( -0.024 1.712 -0.820) 1.898 18.309 ( -0.071 -6.608 -0.219) 6.612 18.684 ( -0.062 -1.788 1.436) 2.294 19.307 ( 0.134 -1.542 -0.595) 1.658 19.905 ( 0.095 1.196 -2.772) 3.021 21.807 ( -0.145 1.381 1.260) 1.875 22.472 ( 0.346 2.564 -0.799) 2.708 23.303 ( -0.174 6.542 -0.077) 6.545 23.983 ( -0.191 7.794 -0.118) 7.798 24.508 ( 0.352 3.861 -0.173) 3.881 24.789 ( -0.192 3.529 1.172) 3.724 ======================= Grid point 398 (185/231) ======================= q-point: (-0.15 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 0.061 17.193 11.070) 20.449 2.608 ( 2.793 11.690 9.241) 15.161 2.785 ( -1.608 13.450 -15.613) 20.670 2.858 ( 1.890 10.790 -8.226) 13.699 3.560 ( -2.692 -2.701 4.236) 5.700 3.660 ( 1.497 -1.759 -2.206) 3.194 3.849 ( 2.369 4.066 5.201) 7.014 4.028 ( 1.504 3.204 2.663) 4.429 4.432 ( 2.518 9.904 19.189) 21.740 4.695 ( -3.905 6.248 -5.380) 9.122 4.776 ( -0.037 6.450 -10.075) 11.962 4.918 ( 4.101 5.314 -12.517) 14.203 5.210 ( 5.677 7.833 10.202) 14.059 5.525 ( -4.218 8.114 -15.083) 17.639 6.429 ( -6.093 14.724 3.449) 16.304 6.532 ( -13.771 9.256 1.799) 16.690 6.655 ( 7.612 5.729 7.445) 12.091 6.934 ( 5.279 5.077 -2.209) 7.650 7.083 ( 0.663 10.785 -1.479) 10.906 7.291 ( 1.322 8.742 -0.607) 8.862 8.113 ( -1.159 -2.113 -0.798) 2.539 8.261 ( -3.570 0.467 1.247) 3.810 8.754 ( 3.254 2.125 -1.865) 4.311 9.335 ( -7.390 6.269 1.003) 9.743 9.466 ( 8.185 6.328 -0.719) 10.372 10.363 ( 3.038 7.670 11.250) 13.950 10.559 ( -0.293 5.820 -0.841) 5.887 11.484 ( -1.749 0.260 -1.766) 2.499 11.852 ( 5.218 -3.230 -3.665) 7.148 12.426 ( 2.779 -4.379 -0.338) 5.197 13.364 ( -0.893 -4.753 2.968) 5.674 13.649 ( -1.250 -3.495 0.018) 3.712 14.363 ( -2.407 -11.730 -1.518) 12.070 14.708 ( -1.147 -26.350 -1.307) 26.408 14.941 ( 1.893 -10.428 -1.304) 10.678 15.668 ( -0.633 -5.934 1.576) 6.172 16.028 ( 0.710 -11.865 -0.304) 11.890 17.609 ( -0.320 3.488 -0.038) 3.503 18.393 ( -1.571 -2.806 0.093) 3.217 18.691 ( -0.618 0.613 0.645) 1.084 19.305 ( -0.965 1.468 -0.793) 1.927 19.838 ( 0.104 5.994 -2.211) 6.389 21.719 ( -3.284 6.399 1.457) 7.339 22.363 ( -3.000 7.716 -1.383) 8.393 23.140 ( 3.163 11.011 0.239) 11.459 23.705 ( 0.569 20.506 -0.078) 20.514 24.340 ( 0.373 13.697 -1.181) 13.753 24.736 ( 1.633 2.336 1.648) 3.292 ======================= Grid point 399 (186/231) ======================= q-point: (-0.08 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 6.677 18.454 13.164) 23.631 2.360 ( 5.409 17.110 8.692) 19.939 2.482 ( 0.351 15.742 -17.317) 23.406 2.636 ( 3.140 14.056 -9.898) 17.476 3.574 ( -2.268 -0.342 2.635) 3.494 3.676 ( -0.384 0.959 2.195) 2.426 3.778 ( 3.771 5.790 6.919) 9.778 3.961 ( 2.763 6.596 4.468) 8.432 4.215 ( 1.807 13.213 21.952) 25.686 4.529 ( -3.078 7.898 -4.089) 9.411 4.618 ( 1.755 10.719 -16.973) 20.151 4.813 ( 2.568 8.211 -9.737) 12.994 5.056 ( 6.428 12.369 6.688) 15.461 5.272 ( -4.334 13.987 -15.538) 21.351 6.017 ( -8.370 20.893 4.215) 22.898 6.190 ( -10.365 15.947 -2.908) 19.240 6.576 ( 3.102 7.842 8.153) 11.730 6.806 ( 1.179 11.757 4.822) 12.762 6.903 ( 3.307 6.864 -6.370) 9.931 7.135 ( 1.078 7.227 -0.151) 7.309 7.972 ( -2.308 13.476 4.675) 14.450 8.215 ( -4.201 2.954 -3.908) 6.453 8.807 ( 1.656 -6.339 -2.131) 6.889 9.168 ( -5.045 3.492 0.017) 6.136 9.483 ( 6.961 0.153 0.284) 6.969 10.372 ( 6.635 -5.511 16.089) 18.255 10.512 ( -1.729 -2.641 -3.957) 5.062 11.412 ( 6.158 5.408 -2.489) 8.565 12.012 ( 7.669 -9.110 -0.290) 11.912 12.628 ( 1.934 -12.545 -3.283) 13.110 13.507 ( -1.750 -10.491 1.131) 10.696 13.753 ( 0.789 -7.308 1.226) 7.452 14.581 ( -4.130 -12.757 -1.577) 13.501 15.130 ( -0.887 -16.860 -2.334) 17.044 15.257 ( 2.245 -20.919 -1.140) 21.070 15.794 ( -0.461 -7.250 2.448) 7.666 16.325 ( 1.321 -16.714 -0.094) 16.766 17.499 ( -1.317 7.932 0.478) 8.055 18.387 ( -5.749 1.003 0.320) 5.845 18.674 ( -1.405 -0.196 -0.152) 1.427 19.224 ( -4.923 5.221 -0.107) 7.176 19.665 ( 0.262 12.071 -1.763) 12.202 21.515 ( -6.874 10.705 2.227) 12.915 22.128 ( -6.358 12.769 -2.920) 14.560 22.935 ( 6.163 13.568 1.800) 15.010 23.220 ( 1.677 29.723 -0.329) 29.772 23.983 ( -0.147 23.111 -3.759) 23.415 24.732 ( 4.669 0.188 2.478) 5.289 ======================= Grid point 404 (187/231) ======================= q-point: ( 0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 7.636 0.000 21.924) 23.216 1.971 ( 6.416 0.000 -21.777) 22.703 2.142 ( 14.475 0.000 18.654) 23.612 2.477 ( 12.308 0.000 -9.963) 15.835 3.211 ( 4.943 0.000 2.586) 5.578 3.258 ( -0.952 -0.000 4.674) 4.770 3.371 ( -0.866 -0.000 -3.526) 3.630 3.389 ( -8.475 -0.000 -5.443) 10.073 3.705 ( 20.122 0.000 13.702) 24.344 3.779 ( -5.372 -0.000 2.011) 5.736 3.992 ( 16.453 0.000 -8.485) 18.512 4.060 ( -5.643 -0.000 -0.144) 5.645 4.180 ( 5.616 0.000 9.184) 10.765 4.421 ( -3.607 -0.000 -19.069) 19.407 4.853 ( -6.527 -0.000 13.974) 15.423 5.181 ( -1.498 -0.000 -16.114) 16.184 5.891 ( -5.559 -0.000 -0.360) 5.571 6.065 ( -3.889 -0.000 2.898) 4.850 6.626 ( -9.972 -0.000 -1.252) 10.051 6.855 ( -4.989 -0.000 2.611) 5.631 7.235 ( 3.120 0.000 4.021) 5.089 7.762 ( 1.509 0.000 -1.983) 2.492 9.250 ( -2.102 -0.000 6.180) 6.528 9.422 ( -6.241 -0.000 2.533) 6.736 9.805 ( -5.765 -0.000 11.300) 12.685 10.737 ( -7.755 -0.000 -11.913) 14.215 11.917 ( 1.138 0.000 1.553) 1.926 12.600 ( 8.311 0.000 10.618) 13.484 13.527 ( -2.498 -0.000 -12.565) 12.811 14.012 ( 5.451 0.000 -5.317) 7.615 14.105 ( 0.005 0.000 5.457) 5.457 14.649 ( 9.092 0.000 6.411) 11.125 14.818 ( -0.108 -0.000 -9.249) 9.250 15.171 ( -9.865 -0.000 2.646) 10.213 15.515 ( 0.818 0.000 5.378) 5.440 16.088 ( -14.066 -0.000 -7.757) 16.063 17.139 ( 1.778 0.000 2.579) 3.132 17.320 ( -0.413 -0.000 17.985) 17.990 17.606 ( 3.455 0.000 -0.873) 3.564 17.962 ( -0.041 -0.000 -17.341) 17.341 18.333 ( -2.315 -0.000 -1.790) 2.926 19.291 ( -0.093 -0.000 3.531) 3.532 19.799 ( -6.544 -0.000 -5.229) 8.377 20.520 ( 0.024 0.000 -0.407) 0.408 21.173 ( -1.959 -0.000 9.412) 9.614 21.538 ( -4.437 -0.000 1.363) 4.642 23.113 ( 2.981 0.000 -7.682) 8.240 25.500 ( 4.893 0.000 1.001) 4.995 ======================= Grid point 405 (188/231) ======================= q-point: ( 0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 8.074 -12.513 15.149) 21.243 2.074 ( 6.603 -6.569 -15.484) 18.070 2.364 ( 11.218 -10.584 12.097) 19.601 2.577 ( 10.714 -1.917 -7.167) 13.032 3.192 ( -6.415 0.763 0.782) 6.507 3.236 ( 0.488 0.850 1.229) 1.572 3.390 ( -1.869 -8.173 -2.278) 8.688 3.529 ( -1.946 -10.740 0.230) 10.917 3.742 ( -0.737 -1.332 5.584) 5.788 3.902 ( -2.991 -7.059 1.917) 7.903 4.090 ( 9.011 -10.223 0.603) 13.641 4.220 ( 6.011 -8.384 12.738) 16.391 4.380 ( 16.177 -11.802 -5.144) 20.675 4.498 ( 2.818 -8.244 -18.076) 20.066 4.871 ( -5.120 -6.320 12.681) 15.065 5.211 ( -0.325 -4.129 -15.554) 16.096 5.880 ( -10.505 -4.823 -0.840) 11.590 6.069 ( -4.736 -3.763 1.792) 6.308 6.571 ( -8.379 -1.586 -0.993) 8.585 6.829 ( -3.520 -0.987 3.443) 5.022 7.307 ( 2.455 -5.179 3.899) 6.932 7.812 ( 1.325 -3.877 -2.144) 4.624 9.174 ( -2.165 5.782 3.060) 6.891 9.284 ( -5.306 9.445 1.862) 10.992 9.707 ( -4.562 4.691 9.847) 11.823 10.604 ( -4.643 7.497 -9.650) 13.072 11.836 ( 3.188 8.979 1.847) 9.706 12.545 ( 10.397 11.257 10.634) 18.652 13.385 ( -4.277 10.938 -14.175) 18.408 13.933 ( 8.872 9.846 -4.063) 13.862 14.174 ( 4.238 2.018 5.647) 7.343 14.684 ( 8.779 0.884 2.412) 9.147 15.057 ( -5.086 -4.597 5.440) 8.752 15.138 ( -4.051 -13.769 -9.189) 17.043 15.432 ( -3.232 5.372 8.243) 10.356 16.002 ( -11.789 -7.722 -9.517) 17.005 16.939 ( -0.386 16.987 2.740) 17.210 17.393 ( 2.871 0.780 7.850) 8.395 17.664 ( -3.314 -3.433 3.762) 6.076 17.835 ( -0.565 17.255 -5.812) 18.216 18.333 ( -0.706 -16.081 -6.822) 17.483 19.275 ( -4.727 19.488 -1.853) 20.138 19.847 ( -1.206 -33.748 0.190) 33.770 21.037 ( -0.186 -30.959 -0.950) 30.974 21.298 ( -1.087 -18.234 7.570) 19.773 21.614 ( -4.332 -12.397 1.936) 13.274 23.137 ( 1.173 -1.128 -6.134) 6.346 25.469 ( 3.300 5.737 0.234) 6.623 ======================= Grid point 406 (189/231) ======================= q-point: ( 0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 7.608 -15.788 5.217) 18.285 2.319 ( 6.043 -13.493 -7.059) 16.383 2.652 ( 7.939 -10.812 4.691) 14.210 2.719 ( 10.224 -5.141 -4.806) 12.412 3.166 ( -6.451 -2.950 3.174) 7.771 3.242 ( -3.095 -2.500 1.492) 4.249 3.540 ( -4.751 -7.204 -1.247) 8.720 3.678 ( -2.575 -7.903 -0.962) 8.367 3.888 ( 1.552 -14.085 7.114) 15.856 4.100 ( -1.415 -13.748 -3.156) 14.176 4.308 ( -1.050 -10.301 13.012) 16.629 4.530 ( 9.792 -14.157 -0.472) 17.220 4.696 ( 0.922 -11.822 -8.389) 14.526 4.785 ( 11.864 -14.228 -4.723) 19.118 5.054 ( 3.864 -14.414 7.060) 16.509 5.347 ( 4.113 -9.193 -14.396) 17.570 5.928 ( -14.339 -9.859 -0.462) 17.408 6.146 ( -6.316 -8.431 1.537) 10.646 6.579 ( -5.745 -4.950 -2.079) 7.864 6.858 ( -1.151 -4.021 4.673) 6.271 7.463 ( 1.387 -8.994 3.291) 9.677 7.920 ( 1.028 -5.965 -2.102) 6.408 9.002 ( -3.935 12.441 0.560) 13.060 9.032 ( -3.072 8.626 -0.008) 9.157 9.623 ( -1.890 0.561 6.176) 6.483 10.433 ( -2.040 6.528 -4.904) 8.416 11.639 ( 4.803 14.223 1.470) 15.084 12.354 ( 10.817 16.080 11.985) 22.786 13.055 ( -6.787 18.021 -13.051) 23.262 13.771 ( 10.174 13.741 -4.677) 17.725 14.025 ( 6.091 15.696 3.997) 17.304 14.574 ( 0.776 15.513 6.567) 16.863 14.938 ( 6.254 13.585 -2.983) 15.250 15.225 ( -4.162 5.530 -6.250) 9.326 15.553 ( -7.804 -20.885 9.118) 24.088 16.372 ( 0.428 -24.114 -8.884) 25.702 16.583 ( -1.975 12.814 4.153) 13.615 17.249 ( -11.745 13.120 -2.334) 17.763 17.347 ( 4.926 9.731 -3.314) 11.399 17.924 ( -5.858 -6.736 3.807) 9.705 18.577 ( -0.085 -7.606 12.941) 15.011 19.122 ( -3.912 -10.262 -16.153) 19.533 20.537 ( 1.595 -32.537 2.934) 32.708 21.403 ( 0.069 -15.612 1.597) 15.693 21.834 ( -3.270 -29.837 3.759) 30.251 22.100 ( -0.691 -38.658 0.355) 38.666 23.185 ( -0.760 -4.245 -4.270) 6.068 25.351 ( 2.607 8.114 -0.121) 8.524 ======================= Grid point 407 (190/231) ======================= q-point: ( 0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 5.439 -12.840 0.225) 13.946 2.635 ( 5.199 -13.134 -0.963) 14.158 2.877 ( 4.561 -8.055 2.320) 9.543 2.925 ( 10.589 -7.255 -7.343) 14.788 3.185 ( -6.732 -3.749 4.174) 8.763 3.297 ( -3.664 -5.433 2.093) 6.880 3.620 ( -5.825 -6.994 0.758) 9.133 3.855 ( -1.762 -10.411 -0.213) 10.561 4.193 ( 2.640 -13.936 5.107) 15.076 4.360 ( 4.046 -11.672 3.774) 12.917 4.502 ( -5.639 -11.204 5.380) 13.648 4.798 ( 1.171 -9.145 -8.980) 12.870 4.894 ( -1.360 -8.795 2.794) 9.327 5.123 ( 1.789 -15.858 -7.671) 17.707 5.470 ( 12.499 -19.896 4.153) 23.861 5.656 ( 13.368 -16.355 -8.583) 22.801 6.060 ( -15.820 -15.037 0.590) 21.834 6.300 ( -8.276 -12.806 -0.073) 15.248 6.686 ( -2.802 -9.382 -1.363) 9.886 6.971 ( 0.436 -7.691 4.150) 8.750 7.654 ( -0.057 -9.337 1.767) 9.503 8.031 ( 0.727 -4.110 -1.575) 4.461 8.729 ( -3.895 10.223 1.659) 11.065 8.900 ( -1.468 3.266 -1.891) 4.049 9.664 ( -0.363 -5.157 1.474) 5.376 10.350 ( -0.561 0.556 -0.519) 0.945 11.365 ( 4.124 16.815 0.964) 17.340 12.099 ( 8.450 17.479 13.743) 23.787 12.641 ( -7.570 17.724 -11.684) 22.538 13.537 ( 12.475 18.891 -4.504) 23.082 13.726 ( -2.791 15.419 1.642) 15.756 14.216 ( -0.554 18.587 8.383) 20.397 14.682 ( 4.545 16.735 -6.668) 18.579 15.023 ( -2.090 10.886 -2.694) 11.407 15.625 ( -0.277 14.925 3.206) 15.268 16.524 ( 7.740 15.122 2.072) 17.114 16.581 ( -5.431 -18.686 -2.215) 19.585 16.973 ( -2.966 8.472 -0.577) 8.994 17.558 ( -4.057 -27.433 -6.257) 28.428 17.901 ( -8.157 -1.015 2.880) 8.710 18.759 ( -0.118 -10.354 11.631) 15.573 19.384 ( -1.046 -14.718 -12.375) 19.258 21.066 ( 2.224 -20.897 2.763) 21.196 21.739 ( 1.232 -18.211 0.480) 18.259 22.480 ( -2.304 -37.885 3.391) 38.106 22.830 ( 1.258 -32.224 -0.829) 32.259 23.322 ( -2.860 -13.217 -2.459) 13.744 25.208 ( 1.675 7.921 -0.056) 8.096 ======================= Grid point 408 (191/231) ======================= q-point: ( 0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 2.961 -8.668 -0.179) 9.161 2.862 ( 3.217 -7.220 1.112) 7.982 3.031 ( 0.605 -4.972 3.031) 5.855 3.111 ( 5.397 -4.790 -8.958) 11.503 3.227 ( -2.255 -4.873 3.560) 6.443 3.386 ( -1.824 -5.662 0.039) 5.949 3.737 ( -3.537 -8.065 2.437) 9.138 4.017 ( -1.534 -7.044 2.653) 7.682 4.430 ( 2.875 -8.051 5.828) 10.346 4.584 ( -0.147 -8.476 5.809) 10.277 4.668 ( -0.497 -9.954 -2.860) 10.369 4.915 ( -3.447 -4.195 -17.109) 17.950 5.043 ( -0.812 -8.073 14.958) 17.017 5.404 ( -1.293 -12.490 -14.595) 19.253 5.951 ( 13.835 -18.731 7.065) 24.335 6.122 ( 15.496 -18.409 -3.406) 24.303 6.266 ( -16.275 -18.428 1.649) 24.641 6.510 ( -8.518 -14.755 -2.279) 17.189 6.887 ( -1.018 -12.099 0.630) 12.158 7.151 ( 0.780 -9.889 1.829) 10.087 7.783 ( -1.225 -3.717 -0.912) 4.019 8.083 ( 1.173 -1.276 -1.130) 2.069 8.598 ( -3.121 0.230 3.974) 5.059 8.910 ( 0.184 -4.879 -3.431) 5.967 9.793 ( -0.126 -7.581 0.568) 7.603 10.404 ( -0.006 -5.838 1.390) 6.001 11.089 ( 2.051 12.926 0.742) 13.109 11.799 ( 4.179 18.351 12.487) 22.586 12.292 ( -4.905 13.343 -8.499) 16.563 13.279 ( 7.317 14.937 -2.442) 16.811 13.390 ( -4.360 14.207 -2.886) 15.138 13.909 ( 2.374 13.955 11.905) 18.496 14.370 ( -1.638 15.678 -11.887) 19.743 14.784 ( 1.768 14.354 -1.270) 14.518 15.251 ( -1.123 18.506 1.656) 18.614 16.170 ( 1.185 19.365 1.126) 19.434 16.552 ( 1.784 17.458 1.004) 17.578 17.250 ( -3.208 -30.109 -0.243) 30.280 17.754 ( -1.446 1.380 -2.079) 2.884 18.165 ( -2.600 -22.964 -1.194) 23.142 18.944 ( -0.148 -8.921 7.324) 11.543 19.627 ( -0.283 -10.777 -7.998) 13.423 21.415 ( 1.438 -14.336 2.252) 14.583 22.087 ( 1.377 -15.723 -0.138) 15.784 23.140 ( 1.781 -22.882 4.386) 23.367 23.267 ( -2.202 -20.737 -3.851) 21.206 23.738 ( -1.460 -28.021 -0.321) 28.061 25.075 ( 0.614 6.647 0.247) 6.680 ======================= Grid point 409 (192/231) ======================= q-point: (-0.31 -0.69 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( -0.082 -3.054 1.965) 3.633 2.983 ( 0.767 -3.716 -0.930) 3.906 3.059 ( -2.979 0.552 5.137) 5.964 3.179 ( 0.179 -1.134 -5.858) 5.969 3.338 ( 2.207 -4.983 -0.950) 5.532 3.481 ( 0.299 -4.493 -1.387) 4.712 3.855 ( -0.503 -5.162 2.963) 5.973 4.100 ( -0.743 -2.516 3.903) 4.703 4.553 ( 3.337 -2.858 11.611) 12.415 4.709 ( -5.379 -7.061 -2.240) 9.155 4.845 ( 3.987 -5.013 -6.042) 8.805 4.950 ( -1.465 -2.752 -13.878) 14.224 5.191 ( 2.071 -6.274 15.741) 17.072 5.574 ( -2.476 -6.674 -15.689) 17.228 6.337 ( 5.677 -11.467 8.110) 15.149 6.471 ( -5.539 -16.224 2.501) 17.325 6.570 ( -1.889 -15.037 -2.088) 15.298 6.742 ( 2.530 -12.298 -1.321) 12.625 7.107 ( -0.539 -10.285 0.881) 10.337 7.338 ( 0.604 -8.110 -0.321) 8.139 7.806 ( -0.497 -1.082 -2.284) 2.576 8.122 ( 1.061 -2.021 -2.540) 3.415 8.651 ( -1.473 -6.075 5.911) 8.604 9.065 ( 0.802 -9.791 -4.105) 10.647 9.918 ( -0.677 -4.255 1.829) 4.680 10.545 ( -0.274 -7.886 2.041) 8.151 10.930 ( 0.241 4.055 1.742) 4.420 11.474 ( 2.343 16.556 8.402) 18.713 12.028 ( -2.283 11.814 -5.843) 13.376 12.965 ( 0.452 16.795 -5.123) 17.565 13.313 ( 0.620 -5.314 -0.056) 5.350 13.693 ( 2.706 9.956 11.710) 15.607 14.069 ( -4.240 13.213 -10.649) 17.492 14.491 ( 0.725 15.559 -2.881) 15.840 14.959 ( 0.991 11.569 1.413) 11.697 15.847 ( -0.836 13.572 1.158) 13.647 16.209 ( 0.003 16.857 1.179) 16.898 17.705 ( -0.788 -1.135 -1.192) 1.825 17.776 ( 0.307 -20.332 -0.524) 20.341 18.482 ( 0.179 -10.710 -0.019) 10.711 19.113 ( 0.412 -8.179 3.262) 8.815 19.795 ( 0.133 -6.755 -5.359) 8.623 21.650 ( -0.155 -9.422 1.797) 9.593 22.342 ( 0.077 -9.710 -0.548) 9.726 23.338 ( 0.228 -4.667 0.384) 4.689 23.730 ( -0.298 -20.480 -0.217) 20.483 24.215 ( -0.111 -19.847 0.052) 19.848 24.961 ( 0.175 5.333 0.588) 5.368 ======================= Grid point 410 (193/231) ======================= q-point: (-0.23 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -1.468 1.636 4.565) 5.067 2.962 ( -5.880 4.072 5.007) 8.730 3.033 ( 1.937 1.649 -1.810) 3.122 3.163 ( -0.183 2.960 -8.165) 8.687 3.427 ( 0.003 -3.497 0.860) 3.602 3.559 ( 0.750 -3.250 -2.250) 4.023 3.923 ( 2.569 -1.048 3.020) 4.101 4.115 ( 0.521 0.633 3.581) 3.673 4.609 ( 4.319 0.110 12.862) 13.569 4.767 ( -5.631 -2.942 -5.344) 8.302 4.902 ( 0.530 -0.200 -5.998) 6.024 5.009 ( 5.306 -0.929 -9.159) 10.626 5.307 ( 5.289 -2.512 11.846) 13.214 5.633 ( -2.960 -1.774 -14.971) 15.363 6.483 ( -11.338 -6.909 6.824) 14.928 6.650 ( -11.455 -5.244 -2.503) 12.844 6.754 ( 3.875 -6.229 5.644) 9.256 6.988 ( 12.592 -4.863 -0.725) 13.518 7.248 ( 0.204 -3.772 0.382) 3.797 7.448 ( 0.898 -2.222 -1.455) 2.804 7.861 ( -0.933 -5.218 -2.131) 5.713 8.178 ( 0.690 -3.171 -3.266) 4.604 8.762 ( 0.845 -4.513 5.396) 7.085 9.257 ( 0.605 -8.340 -3.197) 8.952 9.900 ( -1.171 5.926 2.280) 6.457 10.660 ( 0.076 -2.481 1.138) 2.731 10.870 ( -0.758 5.647 9.730) 11.275 11.279 ( 2.469 2.489 0.178) 3.510 11.815 ( -0.245 7.302 -7.790) 10.680 12.708 ( 4.190 11.702 -2.228) 12.627 13.406 ( 0.909 2.184 6.719) 7.123 13.700 ( 0.501 -12.529 2.794) 12.847 13.798 ( -6.454 8.185 -6.082) 12.068 14.253 ( -1.166 7.632 -2.325) 8.063 14.813 ( 1.823 4.416 -1.211) 4.928 15.644 ( -0.561 6.631 1.312) 6.783 15.953 ( -0.573 8.402 0.725) 8.453 17.683 ( -0.519 1.052 -1.229) 1.699 18.123 ( 0.922 -13.045 -0.268) 13.080 18.623 ( 0.158 -4.661 1.342) 4.853 19.248 ( 0.729 -4.887 0.384) 4.957 19.890 ( 0.443 -2.848 -3.700) 4.690 21.772 ( -2.340 -3.985 1.424) 4.836 22.459 ( -2.167 -3.196 -0.782) 3.940 23.381 ( 1.450 0.749 0.044) 1.633 23.995 ( 0.330 -6.648 0.078) 6.657 24.478 ( 0.073 -7.322 -0.052) 7.322 24.871 ( 0.875 4.380 0.903) 4.556 ======================= Grid point 411 (194/231) ======================= q-point: (-0.15 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -2.207 7.807 6.670) 10.503 2.809 ( -1.803 7.662 8.711) 11.741 2.969 ( 1.461 6.497 -6.953) 9.627 3.055 ( 0.226 7.854 -10.961) 13.486 3.482 ( -1.952 -3.061 3.650) 5.149 3.622 ( 0.518 -2.798 -2.656) 3.893 3.938 ( 4.709 2.121 3.532) 6.257 4.095 ( 1.938 2.160 3.024) 4.191 4.600 ( 4.507 4.628 13.117) 14.622 4.741 ( -4.540 1.622 -5.332) 7.189 4.878 ( 1.503 3.234 -4.780) 5.964 5.038 ( 7.556 2.958 -7.393) 10.977 5.355 ( 6.549 2.426 7.963) 10.592 5.599 ( -3.357 2.857 -14.598) 15.249 6.454 ( -16.722 -0.677 3.470) 17.092 6.555 ( -15.384 3.812 -1.728) 15.943 6.832 ( 9.142 3.483 7.492) 12.322 7.079 ( 8.544 3.288 0.151) 9.156 7.247 ( 2.252 4.652 -0.493) 5.191 7.434 ( 1.188 4.307 -1.419) 4.688 7.975 ( -3.025 -7.423 -1.071) 8.087 8.237 ( -1.021 -1.962 -1.762) 2.828 8.818 ( 3.392 0.417 1.913) 3.917 9.352 ( -2.264 -0.768 -0.788) 2.518 9.708 ( 2.363 11.765 1.083) 12.048 10.592 ( 2.586 10.170 6.946) 12.585 10.704 ( 0.798 8.499 3.364) 9.176 11.368 ( -1.676 -7.363 0.437) 7.563 11.809 ( 4.409 -4.792 -8.989) 11.100 12.543 ( 7.731 10.006 -0.287) 12.648 13.337 ( -1.135 2.720 5.958) 6.647 13.618 ( -3.151 2.438 -1.315) 4.196 14.103 ( -5.495 -19.951 -0.652) 20.704 14.233 ( -1.646 -11.051 -1.143) 11.231 14.818 ( 1.805 -3.594 -2.811) 4.906 15.591 ( 0.293 -1.175 1.802) 2.171 15.892 ( 0.101 -2.353 0.104) 2.358 17.655 ( -0.302 1.681 -0.864) 1.914 18.301 ( -0.974 -5.812 -0.123) 5.895 18.681 ( -0.484 -1.439 1.451) 2.100 19.307 ( -0.154 -0.942 -0.649) 1.154 19.909 ( 0.462 1.326 -2.765) 3.101 21.769 ( -4.632 1.702 1.149) 5.066 22.437 ( -4.466 2.833 -0.838) 5.355 23.335 ( 4.038 5.907 -0.059) 7.156 23.988 ( 0.813 7.696 0.170) 7.741 24.509 ( -0.105 3.734 -0.615) 3.786 24.808 ( 2.560 3.267 1.370) 4.371 ======================= Grid point 412 (195/231) ======================= q-point: (-0.08 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 1.538 13.306 9.772) 16.580 2.648 ( 1.728 9.821 9.281) 13.623 2.788 ( 3.418 13.521 -13.979) 19.746 2.888 ( 2.144 9.915 -9.403) 13.831 3.519 ( -3.019 -2.510 4.646) 6.083 3.666 ( -0.720 -1.490 -1.573) 2.283 3.914 ( 5.788 4.387 4.639) 8.618 4.063 ( 2.583 3.030 2.916) 4.935 4.490 ( 4.804 10.365 14.346) 18.339 4.639 ( -3.235 5.836 -2.333) 7.068 4.800 ( 2.777 6.535 -7.662) 10.446 4.996 ( 7.156 7.041 -6.491) 11.955 5.302 ( 5.842 7.949 5.622) 11.355 5.463 ( -2.987 8.693 -15.390) 17.926 6.247 ( -16.530 10.194 -0.337) 19.423 6.315 ( -15.066 8.247 -0.475) 17.182 6.775 ( 7.648 8.266 7.603) 13.588 7.001 ( 2.026 8.316 3.243) 9.153 7.122 ( 5.189 10.192 -3.192) 11.874 7.310 ( 1.062 8.715 -0.231) 8.783 8.069 ( -4.577 -3.341 -1.299) 5.814 8.204 ( -3.988 3.096 2.326) 5.559 8.811 ( 3.884 2.346 -3.003) 5.441 9.230 ( -6.852 7.309 1.413) 10.118 9.593 ( 8.937 4.523 -1.024) 10.068 10.436 ( 5.698 6.409 12.516) 15.172 10.564 ( 1.535 6.509 -2.985) 7.324 11.469 ( -0.611 -3.438 2.116) 4.083 11.966 ( 9.638 -4.468 -6.512) 12.461 12.492 ( 6.569 -1.279 -1.830) 6.938 13.334 ( -3.066 -4.769 2.561) 6.221 13.637 ( -0.258 -4.960 2.289) 5.469 14.303 ( -5.803 -11.682 -1.060) 13.087 14.660 ( -4.863 -26.208 -3.090) 26.834 14.980 ( 3.048 -11.518 -1.646) 12.028 15.669 ( 0.812 -5.588 2.755) 6.283 16.045 ( 1.600 -12.394 -0.356) 12.502 17.602 ( -0.549 3.858 -0.488) 3.927 18.347 ( -4.738 -1.055 0.193) 4.858 18.673 ( -1.892 1.010 0.845) 2.305 19.278 ( -2.600 3.076 -0.329) 4.041 19.840 ( 0.078 6.187 -2.368) 6.625 21.642 ( -6.330 7.125 1.118) 9.596 22.289 ( -5.800 8.427 -1.073) 10.287 23.216 ( 6.165 10.143 0.216) 11.872 23.722 ( 1.526 20.192 0.181) 20.250 24.337 ( -0.796 13.823 -1.770) 13.958 24.787 ( 4.781 1.579 1.946) 5.397 ======================= Grid point 418 (196/231) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 5.047 0.000 20.187) 20.808 2.056 ( 5.434 0.000 -20.576) 21.282 2.332 ( 10.682 0.000 15.242) 18.612 2.634 ( 9.343 0.000 -7.333) 11.877 3.178 ( -7.900 -0.000 -1.113) 7.978 3.240 ( -1.508 -0.000 2.555) 2.966 3.318 ( 0.462 0.000 -3.620) 3.649 3.369 ( 0.563 0.000 -1.428) 1.535 3.707 ( -4.228 -0.000 1.580) 4.514 3.854 ( -0.737 -0.000 13.673) 13.693 3.981 ( -4.780 -0.000 -0.234) 4.786 4.159 ( 4.630 0.000 -8.496) 9.676 4.371 ( 13.878 0.000 2.282) 14.065 4.532 ( 23.584 0.000 -9.203) 25.316 4.770 ( -4.884 -0.000 13.271) 14.142 5.164 ( -0.552 -0.000 -14.817) 14.827 5.744 ( -14.197 -0.000 -1.841) 14.316 6.001 ( -4.643 -0.000 1.099) 4.771 6.494 ( -7.979 -0.000 -0.569) 7.999 6.797 ( -2.713 -0.000 3.404) 4.352 7.274 ( 2.027 0.000 4.131) 4.602 7.781 ( 1.083 0.000 -2.156) 2.413 9.221 ( -1.713 -0.000 4.001) 4.352 9.349 ( -3.594 -0.000 1.665) 3.961 9.724 ( -5.252 -0.000 10.536) 11.773 10.653 ( -3.970 -0.000 -9.428) 10.230 11.944 ( 2.277 0.000 0.891) 2.445 12.728 ( 8.646 0.000 9.646) 12.954 13.463 ( -5.604 -0.000 -14.282) 15.343 14.079 ( 3.520 0.000 -3.253) 4.792 14.106 ( -0.035 -0.000 5.522) 5.522 14.812 ( 11.940 0.000 9.629) 15.339 14.815 ( -0.032 -0.000 -9.297) 9.297 15.051 ( -5.928 -0.000 1.383) 6.087 15.531 ( 0.648 0.000 2.437) 2.521 15.887 ( -12.563 -0.000 -7.840) 14.809 17.147 ( -0.348 -0.000 3.404) 3.422 17.317 ( -0.310 -0.000 17.924) 17.926 17.640 ( 1.059 0.000 0.703) 1.271 17.958 ( -0.008 -0.000 -17.268) 17.268 18.331 ( 1.650 0.000 -6.246) 6.460 19.290 ( -0.083 -0.000 3.510) 3.511 19.713 ( -4.950 -0.000 -3.277) 5.936 20.521 ( 0.023 0.000 -0.408) 0.408 21.153 ( -0.951 -0.000 9.219) 9.268 21.483 ( -3.057 -0.000 1.976) 3.640 23.135 ( 0.534 0.000 -5.706) 5.731 25.543 ( 1.491 0.000 -0.392) 1.542 ======================= Grid point 419 (197/231) ======================= q-point: ( 0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 4.091 -13.892 13.880) 20.059 2.155 ( 4.501 -6.804 -15.248) 17.293 2.494 ( 6.253 -8.715 9.866) 14.574 2.717 ( 8.270 -2.422 -5.982) 10.491 3.089 ( -6.867 0.531 3.450) 7.704 3.231 ( -1.179 1.031 0.825) 1.770 3.385 ( 1.524 -6.582 -3.936) 7.819 3.507 ( -1.565 -9.078 -1.414) 9.320 3.708 ( -2.091 -3.052 3.329) 4.977 3.847 ( -3.333 -7.403 1.453) 8.248 4.079 ( -3.864 -9.957 8.914) 13.912 4.317 ( -0.294 -13.128 -9.991) 16.500 4.549 ( 13.993 -5.889 3.060) 15.487 4.733 ( 13.325 -3.626 -1.854) 13.934 4.846 ( 6.167 -9.797 7.655) 13.879 5.217 ( 1.434 -5.831 -14.438) 15.637 5.676 ( -15.788 -4.667 -1.676) 16.548 5.997 ( -4.564 -3.172 0.991) 5.646 6.462 ( -6.407 -2.438 -1.229) 6.965 6.798 ( -0.735 -1.671 3.898) 4.304 7.336 ( 1.286 -4.972 3.974) 6.494 7.827 ( 0.754 -3.862 -2.155) 4.486 9.147 ( -1.396 6.139 1.624) 6.502 9.227 ( -2.274 9.850 0.519) 10.122 9.649 ( -3.448 3.213 9.593) 10.688 10.553 ( -2.414 6.593 -6.857) 9.814 11.882 ( 2.857 7.810 0.608) 8.338 12.691 ( 9.202 9.912 9.836) 16.723 13.299 ( -6.928 11.495 -13.466) 19.013 14.013 ( 2.868 7.809 -2.115) 8.584 14.241 ( 3.870 -4.672 2.926) 6.735 14.799 ( 4.927 4.263 5.455) 8.498 14.985 ( -2.751 -1.865 3.105) 4.548 15.123 ( 1.857 -16.392 -4.151) 17.012 15.414 ( 0.105 10.580 1.490) 10.685 15.832 ( -10.597 -11.978 -8.926) 18.315 16.928 ( -0.999 17.806 2.836) 18.058 17.418 ( 0.515 3.148 7.384) 8.043 17.625 ( -2.064 -5.859 8.965) 10.907 17.847 ( 1.684 22.880 -7.925) 24.272 18.335 ( 0.993 -18.571 -10.450) 21.332 19.205 ( -4.176 23.185 -2.204) 23.661 19.842 ( 0.196 -36.483 1.189) 36.503 21.034 ( -0.223 -30.382 0.526) 30.387 21.290 ( -0.055 -18.915 6.477) 19.993 21.563 ( -2.510 -12.092 2.149) 12.535 23.141 ( -0.262 -0.738 -4.493) 4.560 25.498 ( 1.132 5.197 -0.787) 5.377 ======================= Grid point 420 (198/231) ======================= q-point: ( 0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 2.972 -16.183 3.767) 16.879 2.382 ( 2.312 -13.811 -6.595) 15.478 2.714 ( 1.220 -10.235 6.033) 11.943 2.861 ( 7.782 -6.320 -8.174) 12.935 3.075 ( -5.093 -2.864 6.190) 8.513 3.219 ( -0.544 -1.152 2.028) 2.395 3.480 ( -2.355 -3.354 1.073) 4.236 3.646 ( -1.516 -9.695 -5.346) 11.174 3.909 ( 0.917 -15.189 6.179) 16.423 4.093 ( 0.308 -16.664 -5.083) 17.425 4.262 ( -2.780 -10.813 13.422) 17.458 4.589 ( -0.273 -13.639 -13.056) 18.883 4.736 ( 3.020 -6.686 8.968) 11.587 4.908 ( 4.500 -8.748 -4.476) 10.808 5.181 ( 8.874 -17.135 5.107) 19.961 5.430 ( 5.575 -13.739 -12.714) 19.532 5.709 ( -12.359 -9.665 -0.378) 15.694 6.064 ( -3.466 -7.025 0.339) 7.841 6.506 ( -4.076 -6.356 -1.222) 7.649 6.858 ( 0.859 -4.512 3.750) 5.929 7.477 ( 0.499 -8.561 3.263) 9.176 7.930 ( 0.284 -5.906 -1.831) 6.190 8.959 ( -1.470 13.562 0.979) 13.677 9.006 ( -0.672 8.271 -1.641) 8.460 9.601 ( -1.137 -0.677 5.749) 5.899 10.409 ( -1.289 5.810 -2.910) 6.625 11.693 ( 2.317 13.686 0.641) 13.896 12.503 ( 9.299 16.087 12.030) 22.136 12.937 ( -8.669 18.482 -12.190) 23.776 13.864 ( 2.789 9.254 -3.721) 10.357 14.094 ( 2.909 20.082 1.609) 20.355 14.585 ( 1.199 17.643 5.895) 18.640 15.021 ( 3.385 12.710 -5.571) 14.284 15.176 ( -2.797 5.942 -1.086) 6.657 15.485 ( -0.745 -25.212 5.457) 25.807 16.336 ( -3.818 -19.617 -6.631) 21.056 16.593 ( 2.270 -1.442 3.352) 4.298 17.114 ( -6.446 18.587 1.297) 19.715 17.407 ( 2.755 15.756 -6.487) 17.260 17.866 ( -1.940 -5.057 4.380) 6.966 18.597 ( 2.338 -5.791 12.902) 14.334 19.064 ( -3.449 -13.534 -17.236) 22.184 20.560 ( 1.217 -33.267 2.380) 33.375 21.403 ( -0.244 -16.203 3.078) 16.495 21.799 ( -1.178 -28.480 2.954) 28.658 22.097 ( 0.109 -40.192 0.166) 40.193 23.172 ( -0.914 -3.358 -3.027) 4.612 25.375 ( 0.954 7.862 -0.797) 7.960 ======================= Grid point 421 (199/231) ======================= q-point: (-0.38 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 0.543 -12.707 -1.055) 12.762 2.676 ( 0.196 -13.763 -1.351) 13.831 2.884 ( -4.106 -7.939 5.032) 10.258 3.031 ( 0.294 -6.139 -7.742) 9.885 3.132 ( 3.480 -4.969 3.050) 6.790 3.274 ( 0.280 -4.559 1.520) 4.813 3.565 ( -0.760 -7.097 2.830) 7.678 3.841 ( -0.146 -10.059 -1.071) 10.117 4.210 ( -0.752 -14.751 3.487) 15.176 4.410 ( -1.964 -11.988 -0.817) 12.175 4.453 ( 4.061 -11.470 10.246) 15.907 4.793 ( 0.047 -7.434 -17.567) 19.075 4.885 ( 0.062 -7.915 12.695) 14.960 5.133 ( -1.290 -13.234 -10.089) 16.691 5.617 ( 3.826 -22.322 7.582) 23.883 5.779 ( -7.313 -19.802 -6.397) 22.057 5.881 ( 2.059 -13.355 -1.342) 13.580 6.232 ( 2.221 -11.153 -1.497) 11.470 6.650 ( -2.015 -10.649 0.205) 10.840 6.985 ( 1.195 -7.656 2.510) 8.145 7.654 ( 0.112 -8.669 1.640) 8.823 8.035 ( -0.211 -4.371 -1.318) 4.570 8.700 ( 0.095 10.863 1.808) 11.013 8.890 ( 0.123 2.871 -2.246) 3.647 9.660 ( -0.171 -5.447 1.369) 5.619 10.340 ( -0.933 0.016 0.698) 1.165 11.398 ( 0.255 16.888 0.672) 16.903 12.216 ( 6.886 19.804 13.867) 25.138 12.529 ( -6.890 15.901 -11.552) 20.827 13.639 ( -8.088 18.206 0.442) 19.926 13.696 ( 8.941 17.102 -4.900) 19.910 14.231 ( 1.819 18.130 8.308) 20.026 14.699 ( -1.755 18.857 -8.503) 20.760 15.013 ( 0.058 9.086 -0.337) 9.093 15.637 ( 1.652 16.959 1.360) 17.093 16.486 ( -6.341 -18.278 4.415) 19.844 16.615 ( 4.524 13.196 -2.345) 14.146 16.959 ( -0.041 8.845 0.420) 8.855 17.498 ( -3.353 -30.969 -4.029) 31.409 17.864 ( 2.917 0.546 -0.264) 2.979 18.769 ( 1.220 -9.530 10.912) 14.539 19.368 ( -0.774 -15.778 -12.267) 20.001 21.086 ( 0.252 -20.859 2.536) 21.014 21.745 ( -0.578 -18.919 1.316) 18.973 22.468 ( 0.706 -38.736 2.475) 38.822 22.841 ( 0.214 -32.378 -0.966) 32.393 23.293 ( -0.885 -12.326 -1.371) 12.434 25.222 ( 0.326 8.050 -0.489) 8.071 ======================= Grid point 422 (200/231) ======================= q-point: (-0.31 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -2.604 -8.359 -0.288) 8.760 2.873 ( -2.545 -7.180 -0.470) 7.632 2.971 ( -6.887 -5.963 5.340) 10.560 3.106 ( -3.935 -4.302 -3.298) 6.699 3.281 ( 6.480 -4.681 -3.030) 8.549 3.389 ( 2.419 -5.532 -0.465) 6.056 3.727 ( 2.296 -8.243 3.580) 9.275 4.008 ( 0.256 -6.775 3.055) 7.437 4.453 ( -1.873 -11.118 1.259) 11.344 4.538 ( -1.226 -5.425 10.132) 11.558 4.731 ( 4.795 -10.248 -2.978) 11.699 4.892 ( 1.792 -3.484 -17.984) 18.406 5.061 ( 3.032 -8.894 15.865) 18.439 5.370 ( -3.196 -12.053 -14.108) 18.828 5.996 ( -17.261 -18.399 3.285) 25.442 6.100 ( -3.539 -20.635 2.942) 21.142 6.226 ( 5.454 -16.605 -1.229) 17.521 6.540 ( 12.516 -14.693 -2.599) 19.475 6.872 ( -0.828 -12.687 1.401) 12.791 7.163 ( 0.670 -9.628 0.878) 9.692 7.780 ( 0.764 -3.321 -0.525) 3.448 8.092 ( 0.057 -2.097 -2.104) 2.971 8.586 ( 1.343 1.030 5.056) 5.332 8.916 ( 0.733 -5.174 -3.822) 6.474 9.788 ( -0.664 -7.326 1.111) 7.439 10.396 ( -1.116 -6.109 2.128) 6.565 11.091 ( -1.705 12.843 0.455) 12.963 11.858 ( 3.253 20.037 9.467) 22.398 12.237 ( -1.989 11.643 -5.875) 13.192 13.247 ( -8.596 13.737 -0.279) 16.207 13.434 ( 7.240 15.408 -6.042) 18.065 13.946 ( 2.147 13.488 10.627) 17.306 14.319 ( -4.309 16.773 -9.300) 19.656 14.796 ( -0.482 14.053 -2.505) 14.283 15.260 ( 2.269 18.608 0.770) 18.761 16.156 ( -3.056 19.024 2.498) 19.429 16.552 ( -1.751 17.429 0.968) 17.544 17.243 ( 2.258 -29.817 0.322) 29.904 17.739 ( -0.089 -0.540 -0.756) 0.933 18.182 ( 4.545 -21.234 -2.672) 21.878 18.952 ( 1.097 -8.708 6.670) 11.023 19.626 ( 0.307 -11.052 -8.005) 13.650 21.414 ( -1.563 -14.207 2.333) 14.481 22.085 ( -1.757 -15.964 0.093) 16.061 23.172 ( 2.077 -23.085 3.932) 23.509 23.240 ( -0.962 -20.080 -3.822) 20.464 23.732 ( 0.625 -28.377 0.190) 28.385 25.078 ( -0.137 6.692 -0.068) 6.694 ======================= Grid point 423 (201/231) ======================= q-point: (-0.23 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -4.186 -3.633 2.412) 6.045 2.913 ( -9.195 -2.202 2.503) 9.781 3.040 ( 0.119 -3.043 1.876) 3.576 3.146 ( -4.287 -2.657 -4.904) 7.035 3.387 ( 3.863 -2.363 -2.470) 5.159 3.497 ( 1.776 -3.752 -1.488) 4.409 3.890 ( 4.655 -5.284 3.120) 7.703 4.102 ( 0.716 -2.631 4.830) 5.546 4.608 ( -0.487 -5.644 3.148) 6.481 4.629 ( -0.933 -4.851 5.209) 7.179 4.871 ( 0.261 -3.373 -3.977) 5.221 5.010 ( 8.606 -4.301 -12.124) 15.478 5.258 ( 6.440 -7.019 13.162) 16.247 5.530 ( -2.917 -6.796 -15.486) 17.161 6.173 ( -17.385 -13.261 3.256) 22.107 6.356 ( -16.693 -13.724 -3.939) 21.966 6.608 ( 11.541 -14.388 7.707) 19.990 6.909 ( 10.975 -12.166 -0.985) 16.414 7.107 ( 1.583 -10.847 0.473) 10.972 7.346 ( 0.324 -8.230 -0.032) 8.236 7.810 ( 1.177 -0.334 -1.279) 1.770 8.136 ( 0.906 -2.217 -3.896) 4.573 8.659 ( 2.284 -5.914 6.762) 9.269 9.075 ( 0.750 -9.824 -4.540) 10.848 9.899 ( -2.032 -3.980 2.604) 5.173 10.533 ( -1.407 -8.231 2.932) 8.850 10.912 ( -2.686 3.946 1.089) 4.896 11.526 ( 4.401 16.207 5.421) 17.647 12.009 ( -0.224 11.498 -4.023) 12.183 12.969 ( -0.698 11.618 -4.386) 12.438 13.325 ( 0.874 -2.719 -1.259) 3.121 13.709 ( -0.466 11.352 8.696) 14.308 14.005 ( -3.306 13.273 -5.723) 14.828 14.481 ( -1.692 15.756 -3.461) 16.220 14.988 ( 2.546 11.832 -0.341) 12.107 15.827 ( -1.814 12.697 2.459) 13.060 16.192 ( -2.160 16.455 1.043) 16.629 17.654 ( -3.756 -6.524 -0.749) 7.565 17.852 ( 7.627 -14.012 -0.276) 15.956 18.497 ( 1.811 -9.517 -0.164) 9.689 19.130 ( 1.802 -8.012 2.473) 8.576 19.801 ( 0.767 -6.792 -5.221) 8.601 21.623 ( -3.334 -9.154 1.725) 9.893 22.314 ( -3.594 -9.576 -0.480) 10.240 23.348 ( 0.988 -5.038 0.009) 5.134 23.736 ( 1.095 -20.355 0.170) 20.385 24.219 ( 0.662 -19.609 0.222) 19.622 24.966 ( 0.273 4.932 0.337) 4.951 ======================= Grid point 424 (202/231) ======================= q-point: (-0.15 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -3.985 0.675 4.081) 5.744 2.858 ( -6.831 1.233 6.280) 9.360 3.065 ( 2.095 1.403 -1.925) 3.172 3.134 ( -3.305 1.282 -8.432) 9.147 3.435 ( 1.076 -1.108 0.571) 1.647 3.567 ( 0.335 -2.924 -1.986) 3.550 3.989 ( 5.402 -1.097 2.502) 6.053 4.132 ( 1.562 0.125 4.421) 4.690 4.669 ( -0.476 -1.194 3.377) 3.614 4.701 ( 0.578 -2.132 3.065) 3.778 4.914 ( 1.294 -0.624 -1.998) 2.461 5.133 ( 10.612 -0.673 -7.987) 13.299 5.405 ( 7.383 -2.432 8.922) 11.833 5.592 ( -1.657 -1.618 -14.967) 15.146 6.246 ( -18.008 -7.318 1.636) 19.506 6.414 ( -17.544 -5.446 -3.565) 18.713 6.886 ( 9.893 -5.430 8.002) 13.835 7.121 ( 3.451 -4.283 2.733) 6.142 7.289 ( 6.040 -3.946 -1.724) 7.418 7.460 ( 0.836 -2.568 -0.540) 2.754 7.844 ( -0.940 -3.364 -0.547) 3.535 8.187 ( 0.386 -2.380 -4.415) 5.030 8.798 ( 3.576 -4.986 5.126) 7.995 9.261 ( 0.137 -7.602 -3.291) 8.285 9.879 ( -1.784 4.531 2.646) 5.541 10.659 ( -0.318 -3.956 2.098) 4.489 10.844 ( -2.863 3.368 7.585) 8.779 11.338 ( 5.127 5.980 -0.465) 7.891 11.824 ( 1.498 5.577 -6.631) 8.793 12.798 ( 7.286 8.830 -3.091) 11.858 13.425 ( 1.097 2.648 6.694) 7.282 13.614 ( -10.695 -10.252 -1.453) 14.886 13.750 ( -0.170 7.635 -0.966) 7.698 14.228 ( -1.864 7.704 -1.275) 8.029 14.837 ( 1.290 4.710 -3.062) 5.765 15.641 ( 0.046 5.877 2.504) 6.389 15.937 ( -1.422 7.543 0.549) 7.695 17.670 ( -0.998 0.132 -1.174) 1.547 18.151 ( 2.697 -10.164 -0.018) 10.516 18.628 ( 0.507 -4.033 1.230) 4.247 19.263 ( 1.183 -4.095 -0.010) 4.263 19.900 ( 0.832 -2.738 -3.438) 4.474 21.717 ( -4.655 -3.525 1.107) 5.943 22.404 ( -4.752 -2.943 -0.532) 5.615 23.415 ( 2.678 -0.366 -0.128) 2.706 24.006 ( 0.983 -6.567 0.318) 6.648 24.479 ( 0.130 -7.048 -0.118) 7.050 24.891 ( 1.562 3.488 0.792) 3.903 ======================= Grid point 425 (203/231) ======================= q-point: (-0.08 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( -2.360 6.112 6.318) 9.102 2.782 ( -0.961 3.990 7.152) 8.245 3.014 ( 4.087 6.537 -6.036) 9.792 3.045 ( -1.094 5.600 -10.049) 11.555 3.458 ( -1.444 -1.518 3.685) 4.239 3.618 ( -0.995 -2.531 -1.979) 3.364 4.018 ( 5.142 1.849 2.329) 5.940 4.128 ( 2.440 1.729 3.647) 4.716 4.648 ( -0.036 3.187 4.055) 5.158 4.707 ( 1.269 2.527 3.321) 4.361 4.909 ( 2.488 2.683 -1.552) 3.975 5.176 ( 10.008 4.175 -7.027) 12.922 5.451 ( 6.483 3.149 6.573) 9.755 5.569 ( 0.378 3.396 -13.547) 13.971 6.189 ( -18.323 -0.563 -1.595) 18.401 6.316 ( -15.835 2.533 -2.564) 16.240 6.961 ( 7.664 3.943 7.116) 11.177 7.139 ( 0.620 3.729 4.520) 5.892 7.322 ( 5.996 5.088 -1.878) 8.085 7.449 ( 1.189 4.363 -0.812) 4.594 7.921 ( -3.888 -5.950 0.743) 7.147 8.214 ( -2.006 -0.292 -2.884) 3.525 8.875 ( 3.828 0.176 0.742) 3.903 9.306 ( -3.614 3.003 0.188) 4.703 9.758 ( 4.137 6.361 0.477) 7.603 10.629 ( 1.865 7.345 6.410) 9.926 10.725 ( 2.064 7.246 2.819) 8.045 11.351 ( -0.731 -4.483 2.159) 5.029 11.877 ( 4.666 -7.680 -9.493) 13.071 12.693 ( 12.020 9.988 -2.386) 15.810 13.308 ( -2.626 4.931 5.757) 8.023 13.566 ( -3.599 -0.504 0.915) 3.747 13.990 ( -9.296 -19.177 -0.740) 21.324 14.216 ( -0.426 -10.303 -1.324) 10.396 14.838 ( 0.840 -4.190 -3.625) 5.604 15.605 ( 1.448 -1.430 2.753) 3.424 15.894 ( 0.322 -3.548 0.006) 3.563 17.651 ( -0.179 1.549 -1.066) 1.889 18.280 ( -1.913 -3.261 -0.063) 3.782 18.671 ( -0.914 -0.474 1.364) 1.709 19.301 ( -0.662 0.392 -0.409) 0.872 19.916 ( 0.371 1.636 -2.631) 3.121 21.693 ( -4.990 2.292 0.737) 5.540 22.366 ( -4.482 3.192 -0.409) 5.518 23.400 ( 4.106 4.548 -0.310) 6.135 24.004 ( 1.159 7.470 0.414) 7.571 24.505 ( -0.445 4.011 -0.825) 4.119 24.854 ( 3.202 2.091 1.407) 4.075 ======================= Grid point 432 (204/231) ======================= q-point: ( 0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 1.065 0.000 19.178) 19.207 2.116 ( 2.964 0.000 -19.982) 20.201 2.453 ( 5.530 0.000 10.706) 12.050 2.738 ( 4.049 0.000 -6.038) 7.270 3.065 ( -5.586 -0.000 3.818) 6.766 3.214 ( -2.101 -0.000 3.033) 3.690 3.342 ( 1.506 0.000 -8.452) 8.585 3.386 ( 1.708 0.000 -1.468) 2.252 3.663 ( -1.515 -0.000 0.944) 1.785 3.821 ( -2.079 -0.000 15.406) 15.545 3.930 ( -1.940 -0.000 -0.258) 1.957 4.138 ( -2.471 -0.000 -12.807) 13.043 4.609 ( 13.721 0.000 2.341) 13.919 4.719 ( -2.315 -0.000 13.246) 13.447 4.847 ( 12.573 0.000 -4.115) 13.229 5.159 ( 0.266 0.000 -14.281) 14.283 5.527 ( -11.043 -0.000 -1.525) 11.148 5.943 ( -2.402 -0.000 -0.127) 2.405 6.394 ( -5.458 -0.000 0.045) 5.458 6.781 ( 0.387 0.000 3.174) 3.198 7.295 ( 0.658 0.000 4.198) 4.250 7.792 ( 0.414 0.000 -2.252) 2.290 9.206 ( -0.340 -0.000 2.368) 2.392 9.320 ( -0.361 -0.000 -0.030) 0.362 9.663 ( -3.179 -0.000 11.465) 11.898 10.608 ( -2.270 -0.000 -6.442) 6.831 11.978 ( 2.141 0.000 -0.739) 2.265 12.851 ( 7.780 0.000 7.109) 10.539 13.366 ( -7.024 -0.000 -12.023) 13.924 14.106 ( -0.082 -0.000 5.584) 5.584 14.109 ( 0.390 0.000 -0.903) 0.983 14.814 ( 0.074 0.000 -9.337) 9.337 14.927 ( 1.222 0.000 7.647) 7.744 15.056 ( 7.776 0.000 0.870) 7.824 15.514 ( -3.327 -0.000 -0.266) 3.338 15.744 ( -5.698 -0.000 -6.195) 8.417 17.137 ( -0.937 -0.000 4.000) 4.109 17.317 ( -0.182 -0.000 17.858) 17.859 17.640 ( -1.072 -0.000 2.859) 3.054 17.956 ( 0.073 0.000 -17.207) 17.207 18.367 ( 3.202 0.000 -10.419) 10.900 19.289 ( -0.064 -0.000 3.507) 3.508 19.656 ( -2.774 -0.000 -1.062) 2.970 20.521 ( 0.018 0.000 -0.415) 0.416 21.151 ( 0.540 0.000 8.096) 8.114 21.451 ( -1.428 -0.000 2.558) 2.930 23.132 ( -0.636 -0.000 -4.076) 4.125 25.556 ( 0.675 0.000 -1.389) 1.544 ======================= Grid point 433 (205/231) ======================= q-point: (-0.46 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -0.773 -14.684 13.600) 20.029 2.193 ( 0.883 -6.575 -15.530) 16.888 2.552 ( 1.459 -6.615 7.406) 10.036 2.785 ( -0.619 -3.926 -6.903) 7.966 3.027 ( 0.275 0.060 6.891) 6.896 3.205 ( -2.064 0.150 2.657) 3.367 3.423 ( 1.505 -7.276 -6.928) 10.159 3.479 ( -0.490 -4.069 -1.397) 4.329 3.700 ( 0.966 -5.040 2.518) 5.716 3.817 ( -0.737 -8.352 1.632) 8.542 4.045 ( -0.610 -9.511 9.869) 13.719 4.304 ( 0.640 -14.382 -12.132) 18.827 4.679 ( 2.182 -1.758 8.738) 9.176 4.788 ( -0.868 -5.818 0.501) 5.904 4.957 ( -1.957 -9.041 2.782) 9.660 5.232 ( -0.319 -7.276 -14.004) 15.785 5.531 ( 0.959 -4.296 -1.737) 4.732 5.965 ( 1.458 -2.923 -0.914) 3.392 6.388 ( -3.229 -2.911 1.504) 4.601 6.806 ( 1.528 -1.909 2.414) 3.436 7.346 ( -0.042 -4.923 3.997) 6.342 7.832 ( -0.019 -3.811 -2.122) 4.362 9.138 ( 0.264 6.583 0.903) 6.650 9.219 ( 1.172 10.096 -1.211) 10.236 9.615 ( -1.290 2.292 10.799) 11.115 10.524 ( -1.611 6.105 -4.424) 7.709 11.915 ( 1.455 7.683 -1.094) 7.896 12.815 ( 7.302 9.033 6.532) 13.326 13.186 ( -7.688 12.429 -9.315) 17.331 14.027 ( -1.011 6.927 -0.883) 7.056 14.278 ( 1.267 -8.246 1.046) 8.408 14.810 ( -1.712 2.402 8.974) 9.446 14.967 ( -1.628 0.788 -0.841) 1.995 15.193 ( 5.981 -8.616 -2.598) 10.806 15.432 ( 3.078 7.009 -4.728) 8.997 15.711 ( -4.850 -13.929 -5.198) 15.638 16.915 ( -0.731 17.734 3.468) 18.084 17.417 ( -0.666 8.222 6.716) 10.637 17.604 ( -1.155 -11.518 12.126) 16.764 17.868 ( 0.967 24.842 -9.218) 26.515 18.356 ( 2.162 -19.787 -13.115) 23.837 19.163 ( -1.246 25.506 -0.850) 25.550 19.846 ( 0.216 -37.788 1.167) 37.806 21.028 ( -0.681 -30.066 1.554) 30.114 21.300 ( 1.331 -18.811 4.759) 19.449 21.542 ( -0.303 -12.242 2.568) 12.512 23.131 ( -0.943 -0.691 -3.124) 3.335 25.510 ( 0.691 5.058 -1.653) 5.366 ======================= Grid point 434 (206/231) ======================= q-point: (-0.38 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -2.659 -16.813 4.023) 17.491 2.381 ( -2.204 -13.383 -7.589) 15.542 2.692 ( -4.896 -7.901 6.628) 11.416 2.879 ( -4.358 -7.227 -6.632) 10.733 3.089 ( 6.760 -3.517 3.590) 8.424 3.208 ( -0.817 -2.359 2.799) 3.751 3.490 ( 3.064 -1.364 1.154) 3.547 3.631 ( -0.273 -11.346 -5.101) 12.443 3.916 ( 0.181 -13.773 6.612) 15.279 4.094 ( -0.029 -17.524 -5.908) 18.494 4.259 ( 1.596 -11.640 13.643) 18.004 4.600 ( 2.717 -13.433 -14.622) 20.041 4.750 ( -1.706 -5.764 10.511) 12.109 4.888 ( -7.727 -9.215 -5.448) 13.202 5.196 ( -7.619 -18.034 5.949) 20.462 5.408 ( -4.658 -12.578 -11.511) 17.675 5.699 ( 8.146 -9.277 -0.259) 12.349 6.095 ( 7.831 -7.349 -2.516) 11.030 6.466 ( -0.980 -6.771 2.828) 7.403 6.879 ( 1.780 -4.393 1.637) 5.014 7.478 ( -0.413 -8.637 3.176) 9.212 7.927 ( -0.601 -5.781 -1.613) 6.032 8.962 ( 1.706 13.020 0.667) 13.148 9.013 ( 1.845 9.271 -2.304) 9.730 9.595 ( 0.229 -1.115 6.359) 6.460 10.391 ( -1.252 5.554 -1.192) 5.816 11.704 ( -0.820 14.211 -0.439) 14.241 12.625 ( 6.266 15.739 8.748) 19.066 12.809 ( -7.690 18.545 -8.177) 21.678 13.848 ( -4.884 10.176 -2.622) 11.588 14.122 ( 0.986 19.436 -0.499) 19.467 14.608 ( 1.789 17.383 4.013) 17.929 14.995 ( -6.665 9.081 -3.053) 11.670 15.161 ( 1.089 6.288 0.031) 6.382 15.534 ( 6.656 -22.081 0.549) 23.069 16.289 ( -2.123 -14.874 -1.965) 15.153 16.627 ( 1.998 -9.226 0.210) 9.443 17.060 ( -1.090 21.451 4.561) 21.957 17.425 ( 0.166 17.242 -6.353) 18.376 17.872 ( 2.665 -6.446 3.329) 7.729 18.647 ( 4.078 -4.199 11.436) 12.847 19.021 ( -1.722 -15.073 -16.399) 22.340 20.569 ( 0.002 -33.226 1.460) 33.259 21.392 ( -1.483 -16.106 4.022) 16.666 21.808 ( 2.417 -28.435 2.241) 28.626 22.100 ( 0.418 -40.277 -0.137) 40.279 23.159 ( -0.778 -3.392 -1.924) 3.977 25.382 ( 0.071 8.011 -1.446) 8.141 ======================= Grid point 435 (207/231) ======================= q-point: (-0.31 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -4.847 -12.627 -0.690) 13.543 2.640 ( -5.189 -14.087 -2.609) 15.237 2.773 ( -9.830 -6.911 6.045) 13.451 2.970 ( -6.225 -5.811 -3.201) 9.098 3.233 ( 6.673 -5.131 -1.252) 8.510 3.308 ( 4.979 -5.977 0.492) 7.794 3.601 ( 4.625 -6.637 2.901) 8.594 3.847 ( 1.016 -10.214 -0.549) 10.279 4.176 ( -3.342 -13.614 6.352) 15.390 4.388 ( 0.035 -11.411 2.698) 11.726 4.524 ( 3.027 -13.594 4.512) 14.640 4.811 ( 1.600 -6.751 -16.815) 18.190 4.901 ( 1.669 -10.001 11.079) 15.019 5.073 ( -5.248 -14.584 -7.560) 17.245 5.497 ( -14.147 -20.215 1.558) 24.723 5.650 ( -9.194 -17.455 -6.283) 20.705 5.998 ( 10.916 -14.132 3.688) 18.233 6.363 ( 11.751 -12.542 -4.349) 17.728 6.636 ( 0.581 -10.707 3.406) 11.251 7.002 ( 1.013 -7.186 1.168) 7.351 7.657 ( 0.227 -9.206 1.515) 9.332 8.025 ( -1.004 -4.506 -1.122) 4.751 8.731 ( 3.877 11.061 1.430) 11.808 8.903 ( 1.841 3.136 -2.178) 4.239 9.661 ( 0.275 -5.052 1.751) 5.354 10.322 ( -1.524 -0.039 2.129) 2.618 11.372 ( -3.834 17.229 0.319) 17.653 12.275 ( -0.788 21.027 5.516) 21.753 12.468 ( 0.398 13.531 -3.704) 14.035 13.488 ( -12.474 18.626 -0.212) 22.418 13.798 ( 4.225 15.682 -4.548) 16.866 14.266 ( 3.301 17.927 5.095) 18.927 14.643 ( -5.617 18.965 -4.612) 20.310 15.016 ( 0.614 9.350 -1.828) 9.547 15.668 ( 2.335 17.678 -1.190) 17.871 16.392 ( -7.117 -4.666 9.112) 12.469 16.673 ( 3.480 2.093 -4.739) 6.241 16.955 ( 0.056 4.899 0.399) 4.915 17.491 ( 3.113 -24.718 0.659) 24.922 17.965 ( 10.218 -3.794 -3.661) 11.498 18.795 ( 1.913 -8.368 9.509) 12.811 19.360 ( 0.017 -16.673 -11.294) 20.138 21.075 ( -1.703 -20.203 2.028) 20.376 21.722 ( -2.565 -18.889 2.007) 19.168 22.502 ( 3.739 -38.327 1.578) 38.542 22.837 ( -0.570 -31.631 -1.521) 31.673 23.294 ( 0.803 -13.257 -0.015) 13.282 25.218 ( -0.943 8.118 -0.945) 8.228 ======================= Grid point 436 (208/231) ======================= q-point: (-0.23 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( -6.728 -8.475 0.752) 10.847 2.761 ( -11.156 -5.682 3.053) 12.887 2.894 ( -4.624 -10.050 1.671) 11.188 3.026 ( -6.529 -5.155 -4.646) 9.528 3.365 ( 5.094 -3.686 -1.443) 6.451 3.453 ( 5.667 -3.800 -1.403) 6.966 3.790 ( 5.211 -8.342 2.909) 10.257 4.022 ( 1.634 -6.473 3.809) 7.686 4.386 ( -5.491 -11.336 4.534) 13.387 4.563 ( 2.579 -6.332 7.861) 10.418 4.761 ( -0.209 -8.553 -2.060) 8.800 4.948 ( 3.503 -7.226 -15.189) 17.181 5.143 ( 7.775 -10.403 11.350) 17.249 5.319 ( -2.152 -12.477 -10.488) 16.441 5.754 ( -15.018 -17.098 -1.233) 22.790 5.916 ( -14.645 -18.057 -4.986) 23.778 6.389 ( 12.113 -16.613 6.937) 21.698 6.711 ( 7.771 -14.386 -2.177) 16.495 6.882 ( 3.181 -13.159 1.652) 13.639 7.168 ( -0.058 -9.297 0.978) 9.348 7.803 ( 2.364 -3.975 -0.123) 4.626 8.087 ( -0.425 -3.016 -2.333) 3.837 8.633 ( 4.505 1.877 4.607) 6.711 8.932 ( 1.653 -4.728 -3.686) 6.219 9.773 ( -1.415 -6.317 1.652) 6.681 10.373 ( -1.941 -6.120 3.514) 7.320 11.039 ( -5.360 12.155 0.143) 13.285 11.888 ( 0.507 18.051 2.687) 18.257 12.236 ( 1.713 11.907 -1.151) 12.085 13.088 ( -13.202 10.585 0.031) 16.921 13.516 ( 3.137 15.390 -5.059) 16.501 13.985 ( 3.567 15.085 5.315) 16.387 14.255 ( -3.892 15.619 -3.880) 16.558 14.783 ( -0.306 15.096 -3.529) 15.506 15.304 ( 3.155 18.398 -0.333) 18.669 16.087 ( -6.183 16.096 4.169) 17.739 16.509 ( -3.817 16.959 0.642) 17.395 17.301 ( 4.790 -24.474 0.108) 24.939 17.771 ( 5.089 -5.076 0.532) 7.207 18.281 ( 8.548 -15.211 -3.083) 17.719 18.977 ( 2.036 -9.021 5.462) 10.740 19.633 ( 0.893 -11.323 -7.385) 13.548 21.377 ( -3.103 -13.641 1.987) 14.130 22.041 ( -3.863 -15.546 0.409) 16.024 23.182 ( -0.808 -17.181 0.566) 17.210 23.253 ( 2.560 -25.909 -1.196) 26.063 23.754 ( 2.176 -27.851 0.995) 27.954 25.069 ( -1.310 6.189 -0.420) 6.340 ======================= Grid point 437 (209/231) ======================= q-point: (-0.15 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -7.043 -4.758 2.388) 8.829 2.776 ( -8.150 -3.840 6.668) 11.208 3.019 ( -4.171 -5.675 0.084) 7.043 3.076 ( -3.844 -3.898 -7.850) 9.571 3.441 ( 3.556 -0.874 -1.530) 3.969 3.532 ( 2.925 -1.532 -1.182) 3.507 3.964 ( 4.216 -5.293 2.080) 7.079 4.121 ( 1.796 -2.567 4.981) 5.884 4.538 ( -4.383 -8.051 4.319) 10.133 4.681 ( 2.790 -3.704 4.814) 6.684 4.873 ( 0.040 -4.181 -0.540) 4.216 5.128 ( 5.336 -6.814 -11.820) 14.649 5.383 ( 10.230 -6.674 8.571) 14.922 5.502 ( 0.409 -7.059 -10.166) 12.383 5.929 ( -15.084 -12.143 -2.694) 19.551 6.109 ( -14.842 -12.796 -4.926) 20.207 6.774 ( 10.208 -13.304 7.487) 18.365 6.984 ( 0.620 -10.462 3.239) 10.970 7.169 ( 4.843 -11.849 -1.442) 12.882 7.346 ( -0.359 -8.658 0.455) 8.678 7.846 ( 3.908 1.027 -0.182) 4.045 8.146 ( 0.605 -2.695 -4.610) 5.374 8.710 ( 4.065 -5.529 6.031) 9.135 9.089 ( 1.383 -9.455 -4.242) 10.455 9.858 ( -3.689 -3.580 2.881) 5.893 10.507 ( -2.124 -8.616 4.980) 10.176 10.854 ( -5.082 3.150 0.048) 5.980 11.594 ( 4.223 13.904 0.958) 14.563 12.017 ( 1.181 11.734 -2.615) 12.080 12.909 ( -8.338 0.772 -1.084) 8.443 13.329 ( -0.421 2.700 -2.280) 3.559 13.706 ( 0.431 14.063 3.414) 14.478 13.991 ( 2.069 12.663 -1.076) 12.876 14.457 ( -1.078 16.335 -2.821) 16.611 15.020 ( 1.595 12.845 -1.472) 13.027 15.795 ( -2.542 10.402 3.226) 11.184 16.152 ( -3.141 15.554 0.779) 15.887 17.610 ( -2.140 -6.709 -0.692) 7.076 17.980 ( 9.691 -10.552 0.069) 14.327 18.533 ( 3.029 -7.036 0.074) 7.661 19.163 ( 2.562 -7.546 1.428) 8.095 19.815 ( 1.082 -6.774 -4.574) 8.245 21.568 ( -3.603 -8.594 1.251) 9.402 22.251 ( -4.355 -9.281 -0.157) 10.253 23.359 ( 0.196 -6.419 -0.284) 6.428 23.756 ( 1.308 -19.751 0.146) 19.795 24.234 ( 1.306 -18.749 0.615) 18.805 24.964 ( -0.691 3.814 0.079) 3.877 ======================= Grid point 438 (210/231) ======================= q-point: (-0.08 -0.54 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -5.048 -1.002 4.430) 6.791 2.795 ( -2.181 -1.571 7.712) 8.167 3.058 ( -4.110 -1.727 -4.785) 6.540 3.102 ( 0.394 0.214 -7.125) 7.139 3.456 ( 1.627 0.972 0.421) 1.941 3.571 ( 0.350 -1.519 -1.293) 2.025 4.051 ( 2.236 -1.439 1.753) 3.185 4.160 ( 1.977 -0.289 3.554) 4.077 4.629 ( -1.750 -3.415 5.675) 6.850 4.743 ( 1.750 -0.841 1.923) 2.733 4.935 ( 1.047 -1.551 0.763) 2.021 5.254 ( 3.906 -2.251 -9.728) 10.721 5.533 ( 7.843 -1.569 3.920) 8.907 5.600 ( 5.436 -1.209 -5.567) 7.874 5.996 ( -14.960 -6.148 -4.456) 16.777 6.185 ( -11.670 -5.017 -4.703) 13.545 7.013 ( 6.660 -4.328 6.767) 10.434 7.133 ( -0.188 -4.581 4.810) 6.645 7.356 ( 1.234 -4.515 0.219) 4.685 7.473 ( 0.655 -3.691 -1.115) 3.911 7.851 ( 2.501 0.386 0.573) 2.594 8.186 ( -0.272 -1.194 -5.260) 5.400 8.854 ( 3.384 -4.997 3.973) 7.226 9.263 ( 0.366 -5.960 -2.220) 6.370 9.849 ( -2.396 1.521 1.970) 3.455 10.650 ( -1.084 -5.963 4.893) 7.789 10.796 ( -3.528 0.991 4.826) 6.059 11.412 ( 4.438 8.644 -2.246) 9.973 11.850 ( 1.788 4.006 -5.956) 7.397 12.873 ( 0.875 1.216 -2.102) 2.581 13.396 ( -6.818 -6.327 4.693) 10.418 13.510 ( 0.226 3.806 0.804) 3.896 13.767 ( 3.063 9.575 -1.592) 10.179 14.206 ( -1.039 7.112 -0.473) 7.203 14.846 ( -0.103 5.031 -3.464) 6.109 15.643 ( 0.052 4.491 2.676) 5.228 15.915 ( -1.456 6.186 0.438) 6.370 17.657 ( -0.756 -0.837 -1.171) 1.626 18.197 ( 3.406 -5.629 0.034) 6.579 18.639 ( 0.940 -2.811 1.206) 3.200 19.279 ( 1.058 -2.834 -0.259) 3.036 19.911 ( 0.671 -2.467 -2.946) 3.901 21.656 ( -2.998 -3.023 0.685) 4.312 22.341 ( -3.185 -2.946 -0.183) 4.342 23.445 ( 1.119 -1.846 -0.304) 2.180 24.019 ( 0.726 -6.573 0.275) 6.619 24.482 ( 0.223 -6.457 0.007) 6.461 24.908 ( 0.457 2.000 0.697) 2.167 ======================= Grid point 446 (211/231) ======================= q-point: (-0.46 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -3.228 -0.000 19.062) 19.334 2.132 ( -0.484 -0.000 -20.134) 20.140 2.491 ( -1.226 -0.000 8.839) 8.924 2.718 ( -5.724 -0.000 -5.449) 7.903 3.061 ( 4.730 0.000 3.643) 5.970 3.182 ( -2.206 -0.000 5.182) 5.632 3.335 ( -2.399 -0.000 -7.731) 8.094 3.415 ( 2.120 0.000 -3.246) 3.877 3.666 ( 1.840 0.000 0.681) 1.962 3.822 ( 2.052 0.000 16.354) 16.483 3.930 ( 1.988 0.000 -0.286) 2.009 4.131 ( 1.595 0.000 -13.442) 13.537 4.649 ( -14.744 -0.000 -0.699) 14.761 4.708 ( 0.464 0.000 13.774) 13.782 4.811 ( -8.573 -0.000 -1.037) 8.636 5.167 ( 1.106 0.000 -14.446) 14.488 5.533 ( 8.810 0.000 -2.143) 9.067 5.961 ( 5.127 0.000 -2.153) 5.560 6.349 ( 0.087 0.000 4.605) 4.605 6.803 ( 2.297 0.000 1.076) 2.536 7.294 ( -0.794 -0.000 4.224) 4.298 7.792 ( -0.345 -0.000 -2.263) 2.289 9.214 ( 1.495 0.000 1.302) 1.982 9.339 ( 2.947 0.000 -1.996) 3.559 9.640 ( -0.061 -0.000 14.057) 14.057 10.578 ( -1.760 -0.000 -3.812) 4.199 12.002 ( 1.079 0.000 -2.821) 3.020 12.947 ( 4.474 0.000 0.330) 4.486 13.269 ( -5.005 -0.000 -4.827) 6.953 14.085 ( -3.545 -0.000 0.577) 3.592 14.105 ( -0.124 -0.000 5.627) 5.628 14.814 ( 0.187 0.000 -9.359) 9.360 14.942 ( 2.084 0.000 6.201) 6.542 15.123 ( -2.757 -0.000 -4.913) 5.634 15.495 ( 4.101 0.000 2.479) 4.792 15.717 ( 1.269 0.000 -4.837) 5.001 17.123 ( -1.098 -0.000 5.369) 5.480 17.318 ( -0.059 -0.000 17.803) 17.803 17.615 ( -2.262 -0.000 4.354) 4.907 17.955 ( 0.181 0.000 -17.171) 17.172 18.415 ( 3.568 0.000 -14.182) 14.624 19.289 ( -0.040 -0.000 3.523) 3.524 19.633 ( -0.376 -0.000 1.286) 1.340 20.521 ( 0.011 0.000 -0.428) 0.428 21.169 ( 1.580 0.000 6.322) 6.516 21.445 ( 0.775 0.000 3.113) 3.207 23.117 ( -1.391 -0.000 -2.715) 3.051 25.567 ( 0.968 0.000 -2.418) 2.605 ======================= Grid point 447 (212/231) ======================= q-point: (-0.38 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -5.191 -14.779 14.077) 21.060 2.174 ( -3.015 -5.865 -16.541) 17.807 2.519 ( -7.366 -5.291 9.260) 12.962 2.721 ( -5.039 -4.748 -6.808) 9.710 3.096 ( 7.016 -0.649 2.658) 7.530 3.184 ( -0.431 -0.034 4.393) 4.415 3.372 ( -5.531 -7.921 -3.910) 10.422 3.537 ( 5.829 -5.292 -2.781) 8.350 3.732 ( 3.042 -4.030 1.961) 5.417 3.828 ( 2.331 -7.690 2.499) 8.415 4.060 ( 1.538 -8.978 10.544) 13.933 4.331 ( 1.104 -15.080 -11.851) 19.211 4.551 ( -21.382 -6.406 1.244) 22.356 4.725 ( -2.174 -2.409 4.245) 5.343 4.863 ( -7.406 -9.889 2.513) 12.608 5.227 ( 0.475 -5.221 -14.432) 15.355 5.640 ( 9.871 -3.968 1.185) 10.705 6.042 ( 6.956 -3.964 -3.488) 8.733 6.389 ( 4.191 -2.385 6.142) 7.809 6.837 ( 2.581 -1.721 0.137) 3.105 7.336 ( -1.370 -5.045 3.972) 6.566 7.826 ( -0.779 -3.713 -2.056) 4.315 9.155 ( 2.094 6.962 0.498) 7.288 9.260 ( 4.417 10.172 -2.814) 11.442 9.618 ( 1.572 2.191 13.089) 13.364 10.501 ( -1.521 5.803 -2.149) 6.372 11.921 ( -0.566 8.489 -2.898) 8.988 12.882 ( 0.263 8.406 -5.181) 9.878 13.100 ( -2.404 13.777 2.832) 14.269 13.979 ( -5.628 6.971 -0.099) 8.960 14.284 ( -0.186 -8.393 -0.647) 8.420 14.771 ( -4.735 0.332 8.987) 10.163 14.937 ( -1.198 6.260 0.874) 6.433 15.233 ( -0.155 -8.607 -7.931) 11.705 15.515 ( 6.831 5.018 -6.957) 10.965 15.716 ( 6.498 -14.666 0.051) 16.042 16.908 ( -0.399 16.891 4.913) 17.595 17.401 ( -1.712 11.290 7.340) 13.574 17.596 ( -0.066 -14.557 12.306) 19.062 17.870 ( -0.196 22.635 -10.527) 24.964 18.394 ( 3.312 -18.566 -14.756) 23.946 19.172 ( 2.432 26.019 1.133) 26.157 19.848 ( -0.060 -38.267 0.695) 38.273 21.013 ( -1.386 -29.162 2.509) 29.303 21.325 ( 1.595 -18.977 3.026) 19.283 21.560 ( 2.903 -12.574 2.628) 13.169 23.112 ( -1.615 -0.925 -1.979) 2.717 25.519 ( 0.511 5.469 -2.690) 6.117 ======================= Grid point 448 (213/231) ======================= q-point: (-0.31 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -7.300 -17.022 5.571) 19.341 2.319 ( -5.744 -12.546 -9.764) 16.904 2.564 ( -12.251 -6.593 7.976) 16.037 2.801 ( -6.061 -6.364 -5.306) 10.266 3.191 ( 4.715 -3.147 1.368) 5.832 3.234 ( 6.128 -5.370 0.850) 8.192 3.513 ( -1.185 -7.591 1.199) 7.776 3.668 ( 6.094 -6.888 -0.710) 9.224 3.922 ( 0.099 -11.455 6.178) 13.015 4.105 ( 2.054 -16.400 -5.322) 17.364 4.269 ( -3.302 -12.499 14.716) 19.588 4.564 ( -14.483 -15.253 -1.577) 21.093 4.695 ( 2.642 -11.925 -9.034) 15.192 4.802 ( -2.497 -9.619 -3.494) 10.534 5.047 ( -9.966 -15.225 3.710) 18.571 5.359 ( -1.581 -8.745 -13.034) 15.776 5.844 ( 10.423 -9.638 5.836) 15.349 6.219 ( 6.194 -9.290 -4.163) 11.916 6.503 ( 6.836 -5.281 5.252) 10.110 6.907 ( 1.946 -3.777 0.039) 4.249 7.466 ( -1.348 -9.187 3.048) 9.773 7.913 ( -1.209 -5.668 -1.535) 5.995 8.999 ( 3.029 11.023 0.403) 11.438 9.065 ( 5.304 11.476 -2.763) 12.941 9.611 ( 1.864 -0.599 7.544) 7.794 10.371 ( -1.482 5.563 0.778) 5.809 11.668 ( -4.003 15.640 -1.314) 16.197 12.609 ( -8.367 16.671 -10.978) 21.643 12.789 ( 4.584 16.752 11.325) 20.734 13.725 ( -11.755 14.090 -0.910) 18.372 14.112 ( -2.563 16.213 -3.430) 16.769 14.644 ( 3.111 15.922 1.171) 16.266 14.864 ( -10.266 5.698 2.983) 12.114 15.199 ( 4.254 7.939 -3.345) 9.608 15.655 ( 9.206 -17.327 -1.440) 19.673 16.267 ( -1.335 -11.381 1.656) 11.578 16.650 ( 1.477 -3.825 -2.340) 4.721 17.076 ( 2.306 15.808 7.820) 17.787 17.431 ( 2.053 13.801 -4.914) 14.793 17.941 ( 6.402 -9.863 1.287) 11.829 18.713 ( 4.418 -3.544 7.724) 9.578 19.013 ( 1.096 -13.813 -13.067) 19.046 20.564 ( -0.501 -32.465 0.325) 32.471 21.361 ( -2.775 -15.711 5.215) 16.785 21.864 ( 4.581 -29.643 1.271) 30.021 22.114 ( 1.877 -38.833 -0.807) 38.887 23.145 ( -1.261 -4.202 -0.758) 4.452 25.374 ( -1.258 8.635 -2.281) 9.019 ======================= Grid point 449 (214/231) ======================= q-point: (-0.23 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -8.523 -12.764 1.600) 15.431 2.523 ( -10.324 -11.156 -0.859) 15.225 2.626 ( -10.204 -10.595 2.951) 15.003 2.859 ( -8.705 -5.870 -5.054) 11.653 3.317 ( 5.641 -5.255 1.329) 7.823 3.412 ( 8.041 -5.861 -2.022) 10.154 3.661 ( 2.193 -7.883 3.236) 8.799 3.883 ( 4.667 -9.700 1.327) 10.846 4.128 ( -3.561 -11.098 9.259) 14.885 4.395 ( -1.384 -11.983 6.350) 13.632 4.515 ( -3.735 -15.425 -0.086) 15.871 4.762 ( -7.432 -11.555 -9.079) 16.468 4.919 ( 0.916 -14.047 -0.423) 14.083 5.087 ( 7.075 -13.931 -4.769) 16.336 5.297 ( -12.072 -18.458 -0.465) 22.060 5.539 ( -4.089 -12.177 -10.437) 16.551 6.163 ( 10.707 -14.868 7.449) 19.778 6.481 ( 3.464 -13.481 -1.656) 14.017 6.694 ( 7.169 -9.065 2.001) 11.729 7.015 ( 0.832 -6.380 0.767) 6.479 7.659 ( -0.054 -10.695 1.478) 10.796 8.010 ( -0.828 -4.822 -1.200) 5.037 8.802 ( 5.219 10.735 0.801) 11.964 8.946 ( 4.096 4.232 -1.763) 6.148 9.667 ( 0.376 -3.773 2.127) 4.348 10.297 ( -1.816 0.153 4.223) 4.599 11.288 ( -7.367 17.785 0.246) 19.252 12.202 ( -7.725 17.019 -7.407) 20.104 12.521 ( 4.696 15.021 7.597) 17.476 13.269 ( -17.396 18.856 0.315) 25.657 13.810 ( -1.879 13.931 -4.521) 14.766 14.343 ( 6.589 17.446 0.604) 18.658 14.535 ( -8.475 16.612 -0.682) 18.662 15.052 ( 4.963 11.294 -2.565) 12.600 15.701 ( 2.094 17.638 -2.587) 17.949 16.270 ( -9.864 5.015 9.905) 14.851 16.705 ( 0.706 1.904 -4.881) 5.287 16.988 ( 4.620 -5.097 1.629) 7.070 17.592 ( 10.618 -17.338 2.145) 20.444 18.145 ( 13.983 -6.986 -4.605) 16.295 18.825 ( 1.929 -7.289 7.947) 10.954 19.366 ( 1.035 -17.009 -9.786) 19.650 21.047 ( -1.569 -19.183 1.279) 19.290 21.676 ( -3.352 -18.504 2.720) 19.001 22.565 ( 4.047 -36.774 1.074) 37.012 22.833 ( 0.652 -30.010 -3.216) 30.189 23.309 ( 0.891 -15.721 1.987) 15.871 25.190 ( -2.995 8.101 -1.530) 8.771 ======================= Grid point 450 (215/231) ======================= q-point: (-0.15 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -9.414 -8.992 2.823) 13.321 2.601 ( -9.760 -7.350 6.021) 13.621 2.805 ( -7.656 -11.584 -1.007) 13.921 2.925 ( -6.878 -7.226 -8.165) 12.891 3.438 ( 5.047 -2.717 0.059) 5.733 3.538 ( 5.636 -1.781 -1.414) 6.077 3.845 ( 1.453 -8.876 2.988) 9.478 4.066 ( 4.110 -5.134 2.658) 7.093 4.317 ( -3.660 -11.397 10.854) 16.159 4.573 ( -2.899 -8.420 6.122) 10.807 4.737 ( -2.798 -9.240 -2.133) 9.888 4.948 ( -1.601 -11.830 -12.748) 17.465 5.213 ( -1.106 -14.324 1.152) 14.413 5.388 ( 11.916 -9.877 0.424) 15.483 5.557 ( -11.547 -16.515 -6.180) 21.078 5.766 ( -3.330 -13.700 -8.818) 16.629 6.550 ( 9.312 -16.461 6.794) 20.096 6.757 ( 0.432 -12.924 3.147) 13.309 6.950 ( 3.710 -12.472 -0.312) 13.016 7.167 ( 0.211 -8.750 0.587) 8.772 7.846 ( 3.258 -6.180 0.157) 6.988 8.086 ( 0.593 -3.453 -2.416) 4.256 8.704 ( 4.597 2.557 3.389) 6.258 8.967 ( 3.367 -3.669 -2.954) 5.790 9.742 ( -3.009 -4.565 1.846) 5.771 10.344 ( -1.963 -5.936 5.815) 8.538 10.938 ( -8.285 11.000 -0.277) 13.774 11.871 ( -2.861 13.070 -4.954) 14.267 12.269 ( 1.698 13.450 2.758) 13.834 12.861 ( -17.130 8.175 2.204) 19.108 13.524 ( -1.140 13.598 -3.615) 14.116 14.029 ( -0.131 17.984 -0.681) 17.997 14.235 ( 3.248 11.167 -0.593) 11.645 14.807 ( 4.001 17.540 -2.476) 18.160 15.341 ( 1.644 18.475 -0.536) 18.556 15.985 ( -7.485 12.148 4.569) 14.983 16.450 ( -3.941 16.770 0.223) 17.228 17.366 ( 3.808 -17.553 0.103) 17.961 17.898 ( 11.926 -7.868 0.559) 14.299 18.415 ( 9.296 -8.761 -2.117) 12.948 19.013 ( 2.919 -9.767 3.862) 10.901 19.648 ( 1.211 -11.400 -6.252) 13.059 21.339 ( -1.584 -12.914 1.377) 13.083 21.985 ( -3.194 -15.100 0.765) 15.453 23.158 ( -2.395 -15.878 0.208) 16.058 23.293 ( 2.399 -26.574 -2.085) 26.763 23.793 ( 3.028 -27.227 2.296) 27.491 25.035 ( -3.436 5.240 -0.816) 6.319 ======================= Grid point 451 (216/231) ======================= q-point: (-0.08 -0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -7.076 -6.583 5.671) 11.205 2.691 ( -4.026 -6.712 6.763) 10.344 2.927 ( -7.222 -7.092 -3.002) 10.557 3.029 ( -3.194 -6.469 -8.890) 11.449 3.492 ( 3.433 0.332 -0.947) 3.576 3.576 ( 2.907 0.543 -0.309) 2.973 3.992 ( -0.468 -5.442 2.565) 6.034 4.147 ( 0.690 -1.992 2.845) 3.541 4.507 ( 0.456 -8.644 10.203) 13.380 4.686 ( -2.530 -5.261 1.090) 5.939 4.859 ( -2.048 -5.800 0.611) 6.181 5.149 ( -1.029 -8.830 -10.736) 13.939 5.420 ( -5.936 -9.473 1.013) 11.225 5.638 ( 14.344 -5.455 -0.304) 15.349 5.748 ( -7.176 -10.493 -7.095) 14.558 5.989 ( 0.439 -9.759 -6.968) 11.999 6.895 ( 5.674 -12.172 5.258) 14.422 6.980 ( -0.255 -10.110 4.903) 11.239 7.193 ( -1.795 -11.049 2.505) 11.471 7.340 ( -0.448 -8.543 -1.058) 8.620 7.923 ( 6.164 1.285 -0.497) 6.316 8.157 ( 1.320 -2.600 -4.379) 5.261 8.765 ( 2.752 -5.097 4.589) 7.390 9.119 ( 2.930 -8.628 -3.168) 9.647 9.789 ( -5.803 -3.478 2.461) 7.199 10.475 ( -2.403 -8.614 8.313) 12.210 10.768 ( -6.528 1.262 -1.651) 6.851 11.639 ( 1.807 10.706 -4.133) 11.618 12.030 ( -0.005 11.731 -1.826) 11.873 12.728 ( -15.050 -5.947 3.231) 16.502 13.321 ( -0.412 5.514 -1.508) 5.731 13.712 ( -0.126 13.214 0.166) 13.215 14.076 ( 9.098 11.809 -1.440) 14.977 14.459 ( 1.680 18.918 -0.758) 19.007 15.030 ( -0.309 13.734 -1.363) 13.805 15.755 ( -2.839 7.607 2.645) 8.540 16.106 ( -2.997 14.551 0.565) 14.868 17.590 ( -0.638 -5.936 -0.650) 6.006 18.127 ( 9.981 -6.271 -0.030) 11.788 18.582 ( 3.571 -4.413 0.647) 5.714 19.203 ( 2.796 -6.558 0.433) 7.143 19.829 ( 0.901 -6.591 -3.668) 7.596 21.535 ( -0.468 -8.072 0.800) 8.125 22.204 ( -1.655 -9.287 0.126) 9.434 23.348 ( -1.887 -7.775 -0.311) 8.007 23.768 ( 0.176 -19.303 -0.439) 19.309 24.256 ( 1.689 -17.487 1.204) 17.609 24.940 ( -2.785 2.304 -0.124) 3.617 ======================= Grid point 460 (217/231) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -6.657 -0.000 19.899) 20.983 2.096 ( -3.720 -0.000 -20.907) 21.236 2.391 ( -12.565 -0.000 12.043) 17.404 2.637 ( -4.549 -0.000 -9.578) 10.603 3.157 ( -1.263 -0.000 7.521) 7.627 3.159 ( 6.742 0.000 0.384) 6.753 3.294 ( -1.241 -0.000 -1.960) 2.319 3.443 ( 1.883 0.000 -5.451) 5.767 3.714 ( 4.515 0.000 0.857) 4.596 3.876 ( 3.880 0.000 16.657) 17.103 3.983 ( 4.874 0.000 -0.362) 4.887 4.083 ( -17.322 -0.000 -2.474) 17.498 4.326 ( -15.333 -0.000 -7.329) 16.995 4.681 ( -9.812 -0.000 -12.601) 15.971 4.736 ( 3.019 0.000 14.642) 14.950 5.187 ( 2.023 0.000 -15.161) 15.295 5.674 ( 9.253 0.000 3.983) 10.074 6.041 ( 3.746 0.000 -2.149) 4.318 6.424 ( 10.016 0.000 5.895) 11.622 6.844 ( 3.266 0.000 -0.883) 3.383 7.273 ( -2.159 -0.000 4.208) 4.730 7.782 ( -1.021 -0.000 -2.186) 2.412 9.249 ( 3.134 0.000 0.471) 3.169 9.402 ( 5.604 0.000 -3.796) 6.769 9.671 ( 4.091 0.000 17.386) 17.861 10.552 ( -1.766 -0.000 -0.790) 1.935 12.006 ( -0.473 -0.000 -4.526) 4.551 12.954 ( -3.540 -0.000 -10.649) 11.222 13.251 ( 2.788 0.000 5.632) 6.284 14.010 ( -6.466 -0.000 1.776) 6.705 14.104 ( -0.152 -0.000 5.641) 5.643 14.816 ( 0.282 0.000 -9.357) 9.361 14.946 ( -8.254 -0.000 1.884) 8.466 15.040 ( 0.629 0.000 -1.642) 1.758 15.605 ( 7.274 0.000 -2.070) 7.563 15.783 ( 9.000 0.000 -0.981) 9.054 17.105 ( -1.709 -0.000 7.426) 7.620 17.321 ( 0.032 0.000 17.772) 17.772 17.579 ( -2.542 -0.000 4.480) 5.151 17.955 ( 0.292 0.000 -17.169) 17.172 18.468 ( 4.097 0.000 -17.400) 17.876 19.289 ( -0.016 -0.000 3.554) 3.554 19.645 ( 1.922 0.000 3.723) 4.190 20.521 ( 0.002 0.000 -0.444) 0.444 21.189 ( 0.574 0.000 5.482) 5.512 21.480 ( 4.156 0.000 2.577) 4.890 23.089 ( -2.465 -0.000 -1.676) 2.981 25.581 ( 0.838 0.000 -3.926) 4.014 ======================= Grid point 461 (218/231) ======================= q-point: (-0.31 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -8.219 -14.341 15.237) 22.480 2.105 ( -5.778 -5.000 -18.203) 19.742 2.343 ( -15.688 -5.264 12.013) 20.448 2.651 ( -5.585 -4.539 -10.103) 12.404 3.181 ( 2.603 -1.613 3.206) 4.434 3.209 ( 3.484 -1.336 3.285) 4.971 3.316 ( 0.314 -6.362 0.877) 6.430 3.616 ( 4.773 -10.693 -5.811) 13.073 3.765 ( -2.573 0.070 3.172) 4.085 3.881 ( 3.967 -8.063 2.683) 9.378 3.991 ( -16.161 -8.512 16.927) 24.903 4.185 ( -6.590 -11.540 0.806) 13.314 4.410 ( -4.334 -14.836 -12.582) 19.930 4.651 ( -4.534 -3.293 -17.223) 18.112 4.823 ( 2.276 -6.042 13.347) 14.826 5.243 ( 2.035 -4.015 -15.352) 15.998 5.779 ( 8.489 -4.444 7.476) 12.153 6.106 ( 1.882 -4.862 -0.098) 5.215 6.518 ( 11.771 -1.178 3.389) 12.306 6.880 ( 3.242 -1.182 -1.076) 3.614 7.308 ( -2.534 -5.315 3.886) 7.055 7.809 ( -1.337 -3.620 -1.960) 4.328 9.197 ( 3.440 7.319 0.108) 8.088 9.342 ( 6.560 10.023 -4.042) 12.642 9.669 ( 5.149 3.289 15.369) 16.539 10.478 ( -1.499 5.611 1.172) 5.925 11.898 ( -2.435 9.986 -3.900) 10.993 12.811 ( -8.061 10.484 -14.417) 19.564 13.126 ( 4.020 13.744 11.197) 18.178 13.861 ( -10.418 8.669 1.373) 13.622 14.278 ( -0.441 -4.608 -3.642) 5.890 14.661 ( -9.655 -0.259 4.984) 10.869 14.955 ( 3.147 7.189 6.268) 10.044 15.224 ( -0.085 -13.570 -7.925) 15.715 15.603 ( 6.202 3.482 -7.431) 10.286 15.881 ( 13.989 -11.295 0.136) 17.980 16.901 ( -0.837 15.292 6.578) 16.668 17.367 ( -3.141 11.342 8.155) 14.318 17.609 ( 1.644 -14.569 10.458) 18.009 17.868 ( 0.583 17.481 -10.777) 20.545 18.449 ( 4.662 -15.790 -15.521) 22.626 19.230 ( 5.146 24.931 2.554) 25.584 19.848 ( 0.376 -38.448 0.183) 38.450 20.989 ( -1.915 -27.370 3.829) 27.703 21.338 ( 0.030 -19.804 2.823) 20.004 21.632 ( 6.848 -13.211 0.887) 14.907 23.079 ( -3.121 -1.338 -1.047) 3.553 25.519 ( -0.745 6.454 -4.350) 7.819 ======================= Grid point 462 (219/231) ======================= q-point: (-0.23 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( -10.010 -16.844 8.012) 21.168 2.219 ( -7.285 -11.608 -12.103) 18.284 2.351 ( -16.701 -7.793 8.621) 20.346 2.686 ( -9.921 -4.715 -7.804) 13.475 3.254 ( 4.084 -4.753 2.751) 6.843 3.341 ( 6.878 -7.026 -0.331) 9.838 3.498 ( 1.004 -9.568 5.186) 10.929 3.765 ( 2.867 -6.273 5.044) 8.544 3.887 ( -5.747 -11.695 1.104) 13.078 4.092 ( -9.698 -13.329 15.889) 22.895 4.172 ( 1.624 -15.730 -4.013) 16.315 4.413 ( -6.203 -16.249 -3.663) 17.775 4.667 ( -8.975 -14.332 -9.586) 19.438 4.792 ( 3.119 -13.008 -14.877) 20.006 5.002 ( 3.971 -10.315 10.510) 15.252 5.359 ( 1.926 -6.627 -14.285) 15.865 5.985 ( 8.201 -10.578 8.773) 16.003 6.262 ( 1.080 -10.057 1.932) 10.298 6.641 ( 9.789 -3.408 0.624) 10.384 6.938 ( 2.563 -2.832 -0.418) 3.842 7.441 ( -2.087 -10.044 2.916) 10.665 7.893 ( -1.328 -5.817 -1.593) 6.176 9.048 ( 3.678 10.077 0.179) 10.729 9.158 ( 7.077 12.504 -3.016) 14.681 9.652 ( 3.349 1.271 8.188) 8.937 10.350 ( -1.229 5.706 4.277) 7.237 11.593 ( -5.983 17.842 -1.313) 18.864 12.453 ( -12.143 16.881 -14.853) 25.554 12.857 ( 3.181 15.890 14.036) 21.439 13.507 ( -17.373 17.595 0.258) 24.728 14.058 ( -3.780 14.666 -5.908) 16.256 14.642 ( -8.566 6.433 -5.483) 12.034 14.765 ( 1.858 13.839 9.207) 16.726 15.289 ( 8.082 6.653 -3.329) 10.984 15.788 ( 8.538 -12.323 -1.286) 15.047 16.237 ( -3.054 -3.758 1.754) 5.150 16.680 ( 2.853 0.795 -2.232) 3.709 17.095 ( -0.577 11.323 7.326) 13.499 17.524 ( 11.456 4.416 -1.045) 12.322 18.055 ( 9.024 -14.832 -0.579) 17.371 18.776 ( 4.168 -4.009 2.229) 6.198 19.048 ( 3.599 -9.787 -7.793) 13.018 20.565 ( 1.115 -31.539 -1.084) 31.578 21.318 ( -2.955 -15.456 6.979) 17.214 21.918 ( 2.076 -32.594 0.787) 32.670 22.173 ( 6.617 -35.383 -2.667) 36.095 23.114 ( -3.330 -5.505 0.662) 6.467 25.338 ( -3.907 9.588 -3.559) 10.948 ======================= Grid point 463 (220/231) ======================= q-point: (-0.15 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -11.240 -12.931 5.605) 18.027 2.359 ( -11.369 -9.229 4.252) 15.249 2.473 ( -10.423 -15.272 -3.733) 18.863 2.715 ( -10.699 -7.136 -9.274) 15.855 3.400 ( 5.198 -5.500 2.150) 7.867 3.523 ( 6.872 -5.096 -2.090) 8.807 3.669 ( 0.032 -8.428 7.275) 11.134 3.983 ( 7.436 -9.812 4.173) 13.000 4.048 ( -8.666 -11.403 6.996) 15.939 4.288 ( -9.105 -13.773 17.383) 23.974 4.490 ( -0.595 -14.556 -11.038) 18.277 4.672 ( -4.473 -14.616 -10.915) 18.782 4.909 ( -2.672 -14.984 -4.508) 15.874 5.091 ( -6.248 -17.936 -6.641) 20.120 5.290 ( 10.663 -13.164 4.578) 17.549 5.540 ( 4.264 -10.385 -12.758) 16.994 6.300 ( 7.324 -15.297 7.294) 18.461 6.500 ( 0.453 -13.361 4.311) 14.047 6.791 ( 4.419 -6.562 -0.295) 7.917 7.034 ( 1.984 -5.459 -0.290) 5.815 7.657 ( -0.142 -12.635 1.666) 12.745 8.005 ( 0.189 -5.830 -1.638) 6.059 8.874 ( 4.577 10.282 0.239) 11.257 9.020 ( 5.743 5.730 -1.177) 8.198 9.667 ( -0.639 -1.333 1.676) 2.235 10.276 ( -0.921 0.427 7.924) 7.989 11.164 ( -9.298 18.774 0.356) 20.954 12.059 ( -11.675 13.080 -13.083) 21.876 12.562 ( -1.017 15.829 11.658) 19.685 13.002 ( -16.806 18.170 0.171) 24.751 13.771 ( -2.528 13.204 -4.122) 14.062 14.332 ( -10.202 15.548 -5.573) 19.413 14.514 ( 7.681 13.980 3.486) 16.328 15.160 ( 9.366 13.328 -1.633) 16.371 15.722 ( 0.504 18.107 -2.192) 18.246 16.118 ( -10.408 7.469 7.393) 14.791 16.700 ( -0.942 9.198 -2.593) 9.603 17.073 ( 6.327 -13.447 1.905) 14.983 17.799 ( 17.058 -12.508 1.650) 21.216 18.359 ( 14.829 -7.445 -4.340) 17.151 18.855 ( 2.143 -6.841 6.481) 9.664 19.385 ( 1.567 -16.658 -7.903) 18.504 21.044 ( 1.582 -18.062 0.347) 18.135 21.636 ( -1.823 -18.417 3.386) 18.814 22.600 ( 0.362 -34.785 1.832) 34.835 22.866 ( 3.780 -26.505 -7.073) 27.692 23.314 ( -0.405 -20.034 4.881) 20.624 25.125 ( -6.013 7.826 -2.273) 10.128 ======================= Grid point 464 (221/231) ======================= q-point: (-0.08 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -10.464 -10.831 8.244) 17.169 2.488 ( -6.023 -10.295 5.240) 13.028 2.680 ( -8.807 -12.333 -3.079) 15.464 2.822 ( -6.973 -10.388 -11.851) 17.233 3.509 ( 4.405 -1.868 0.300) 4.794 3.610 ( 4.108 -0.157 -0.312) 4.123 3.839 ( -1.827 -8.881 5.682) 10.701 4.100 ( -1.266 -2.758 1.464) 3.369 4.300 ( 0.463 -13.907 12.983) 19.031 4.483 ( -6.192 -11.560 8.374) 15.559 4.698 ( -2.252 -8.977 -6.360) 11.230 4.920 ( -2.948 -12.959 -11.801) 17.773 5.145 ( -7.183 -12.449 0.406) 14.378 5.392 ( -5.600 -17.010 -11.307) 21.179 5.629 ( 15.541 -11.189 3.691) 19.502 5.818 ( 9.076 -12.197 -9.134) 17.736 6.653 ( 4.251 -15.727 4.159) 16.814 6.761 ( 0.381 -12.585 5.808) 13.866 6.959 ( -2.020 -9.994 2.639) 10.533 7.175 ( 0.445 -7.804 -1.339) 7.930 7.894 ( 3.252 -9.235 0.436) 9.800 8.110 ( 2.929 -3.782 -2.770) 5.528 8.759 ( 2.698 3.537 2.087) 4.914 9.029 ( 4.945 -2.606 -1.872) 5.895 9.681 ( -5.567 -2.374 1.443) 6.221 10.322 ( -1.081 -5.256 9.382) 10.808 10.804 ( -9.627 9.715 -1.352) 13.744 11.799 ( -7.088 6.903 -10.672) 14.553 12.242 ( -7.064 12.799 4.886) 15.414 12.642 ( -10.103 8.626 4.298) 13.963 13.504 ( -1.025 12.272 -2.124) 12.497 13.969 ( -6.216 14.553 -3.418) 16.189 14.344 ( 9.416 10.539 -0.768) 14.153 14.896 ( 7.640 20.322 -0.348) 21.714 15.346 ( -1.062 18.701 -0.097) 18.731 15.883 ( -6.050 8.551 3.321) 10.988 16.397 ( -3.273 16.876 -0.026) 17.190 17.414 ( 3.021 -12.770 0.348) 13.127 18.098 ( 14.299 -6.568 -0.294) 15.738 18.540 ( 7.383 -3.369 -0.416) 8.126 19.067 ( 4.509 -10.133 1.965) 11.263 19.664 ( 0.945 -11.284 -4.796) 12.297 21.345 ( 2.676 -12.162 0.852) 12.482 21.962 ( 0.357 -15.049 0.976) 15.085 23.112 ( -3.902 -15.818 0.827) 16.313 23.311 ( -0.035 -25.378 -3.769) 25.656 23.840 ( 3.305 -26.816 3.304) 27.220 24.965 ( -6.032 3.924 -1.138) 7.286 ======================= Grid point 474 (222/231) ======================= q-point: (-0.31 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -8.521 -0.000 21.616) 23.235 2.022 ( -5.642 -0.000 -22.084) 22.793 2.162 ( -18.148 -0.000 14.539) 23.254 2.551 ( -7.955 -0.000 -14.541) 16.575 3.150 ( 0.139 0.000 9.432) 9.433 3.202 ( -0.010 -0.000 4.117) 4.117 3.360 ( 8.781 0.000 -2.729) 9.195 3.468 ( 1.541 0.000 -7.053) 7.219 3.597 ( -36.739 -0.000 13.478) 39.133 3.790 ( 5.559 0.000 0.917) 5.634 3.973 ( 5.002 0.000 19.834) 20.455 4.063 ( 5.743 0.000 -0.406) 5.757 4.169 ( -13.060 -0.000 -22.183) 25.742 4.604 ( 1.069 0.000 -21.193) 21.220 4.797 ( 4.832 0.000 15.471) 16.208 5.221 ( 2.987 0.000 -16.121) 16.396 5.790 ( 5.839 0.000 8.572) 10.372 6.069 ( 1.208 0.000 3.769) 3.957 6.600 ( 12.078 0.000 0.723) 12.100 6.899 ( 4.459 0.000 -1.333) 4.654 7.234 ( -3.244 -0.000 4.145) 5.263 7.763 ( -1.459 -0.000 -2.023) 2.494 9.303 ( 3.990 0.000 -0.376) 4.008 9.494 ( 6.669 0.000 -4.978) 8.322 9.771 ( 9.153 0.000 18.901) 21.001 10.531 ( -0.605 -0.000 4.810) 4.848 11.986 ( -2.113 -0.000 -4.839) 5.281 12.871 ( -6.407 -0.000 -13.452) 14.900 13.324 ( 6.004 0.000 6.094) 8.555 13.906 ( -7.454 -0.000 3.613) 8.283 14.103 ( -0.160 -0.000 5.625) 5.627 14.763 ( -13.181 -0.000 -3.314) 13.591 14.819 ( 0.337 0.000 -9.332) 9.338 15.114 ( 6.327 0.000 7.186) 9.574 15.683 ( 4.818 0.000 -9.191) 10.377 15.970 ( 14.801 0.000 2.218) 14.966 17.067 ( -3.921 -0.000 9.098) 9.907 17.325 ( 0.069 0.000 17.770) 17.770 17.548 ( -1.468 -0.000 2.993) 3.334 17.957 ( 0.381 0.000 -17.200) 17.205 18.534 ( 5.536 0.000 -19.291) 20.070 19.290 ( 0.003 0.000 3.592) 3.592 19.689 ( 3.974 0.000 6.111) 7.290 20.521 ( -0.007 -0.000 -0.458) 0.458 21.183 ( -1.510 -0.000 7.241) 7.396 21.567 ( 7.379 0.000 -0.152) 7.381 23.038 ( -4.785 -0.000 -1.020) 4.893 25.583 ( -0.910 -0.000 -6.638) 6.700 ======================= Grid point 475 (223/231) ======================= q-point: (-0.23 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -9.691 -13.453 17.115) 23.829 2.003 ( -8.502 -4.296 -19.288) 21.512 2.091 ( -17.717 -5.619 12.605) 22.458 2.526 ( -11.556 -3.707 -13.300) 18.005 3.173 ( -2.563 -3.706 7.566) 8.806 3.264 ( 2.407 -5.180 5.617) 8.010 3.390 ( 6.107 -2.790 -1.730) 6.933 3.443 ( -27.984 -10.840 17.111) 34.545 3.682 ( 4.133 -13.215 -6.825) 15.437 3.921 ( 4.611 -3.413 4.702) 7.417 3.975 ( 4.667 -5.538 3.547) 8.064 4.112 ( -8.164 -7.925 -11.219) 15.979 4.309 ( -3.848 -13.901 -1.818) 14.538 4.668 ( 4.354 -4.727 -21.369) 22.314 4.887 ( 5.475 -5.356 14.400) 16.311 5.280 ( 3.390 -3.634 -16.060) 16.812 5.875 ( 3.981 -5.491 8.870) 11.165 6.127 ( 1.809 -4.810 5.959) 7.869 6.681 ( 9.323 -0.288 -0.745) 9.357 6.937 ( 4.823 -0.364 -1.203) 4.984 7.265 ( -3.284 -5.719 3.742) 7.583 7.788 ( -1.535 -3.612 -1.828) 4.330 9.252 ( 3.810 7.571 -0.491) 8.490 9.441 ( 6.630 9.713 -4.582) 12.621 9.774 ( 8.573 6.008 14.749) 18.087 10.469 ( 1.051 5.985 8.137) 10.155 11.853 ( -3.550 11.443 -3.213) 12.404 12.672 ( -10.237 13.959 -15.825) 23.454 13.182 ( 2.639 15.315 11.191) 19.150 13.682 ( -13.494 12.792 1.766) 18.677 14.273 ( -0.117 2.280 -7.235) 7.587 14.517 ( -9.517 -2.700 4.363) 10.812 15.012 ( 3.878 4.383 6.793) 8.966 15.240 ( 2.764 -15.333 -4.209) 16.139 15.715 ( 9.447 -0.375 -5.649) 11.014 16.083 ( 12.661 -5.664 -2.550) 14.103 16.877 ( -2.913 12.526 7.059) 14.670 17.315 ( -3.871 11.071 7.386) 13.860 17.649 ( 3.449 -15.266 8.441) 17.782 17.897 ( 4.042 9.936 -8.634) 13.769 18.528 ( 6.638 -12.898 -15.108) 20.945 19.312 ( 5.488 22.979 2.188) 23.727 19.869 ( 2.899 -38.682 0.110) 38.790 20.962 ( -1.849 -25.330 5.633) 26.014 21.328 ( -1.285 -20.874 4.131) 21.317 21.753 ( 9.281 -14.339 -2.241) 17.226 23.012 ( -6.453 -1.808 -0.423) 6.715 25.486 ( -3.922 7.904 -7.206) 11.392 ======================= Grid point 476 (224/231) ======================= q-point: (-0.15 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -11.868 -16.174 10.885) 22.824 2.073 ( -18.431 -11.034 1.561) 21.538 2.124 ( -7.849 -10.092 -5.956) 14.104 2.506 ( -14.215 -4.878 -12.317) 19.431 3.287 ( 0.130 -8.291 7.190) 10.975 3.429 ( 3.986 -8.901 5.223) 11.063 3.546 ( -7.921 -14.662 10.955) 19.943 3.579 ( -4.316 -10.724 9.621) 15.040 3.927 ( 5.754 -7.222 -4.131) 10.116 4.038 ( 0.301 -9.804 9.372) 13.566 4.189 ( -2.680 -12.795 -16.169) 20.792 4.322 ( -3.117 -16.739 -5.062) 17.763 4.567 ( -3.542 -16.174 -2.833) 16.798 4.824 ( 0.900 -8.574 -11.370) 14.269 5.104 ( 8.170 -12.138 7.919) 16.636 5.409 ( 5.036 -6.955 -14.614) 16.950 6.073 ( 3.276 -12.025 7.747) 14.675 6.282 ( 2.087 -9.508 6.856) 11.907 6.750 ( 4.717 -1.595 -0.287) 4.988 6.988 ( 4.155 -1.692 -1.693) 4.795 7.409 ( -2.126 -11.193 2.937) 11.766 7.876 ( -0.856 -6.407 -1.779) 6.704 9.104 ( 3.844 9.653 -0.052) 10.390 9.257 ( 6.043 12.706 -2.969) 14.379 9.706 ( 3.481 4.894 6.395) 8.773 10.351 ( 2.091 6.509 11.249) 13.164 11.502 ( -6.143 20.560 -0.303) 21.461 12.243 ( -16.396 17.402 -17.220) 29.465 12.854 ( -5.542 17.055 16.245) 24.197 13.260 ( -13.731 18.574 -2.030) 23.187 14.016 ( -1.687 14.175 -5.725) 15.380 14.466 ( -12.848 6.670 -4.549) 15.174 14.844 ( 6.401 13.391 6.201) 16.085 15.423 ( 9.502 4.038 -2.508) 10.625 15.891 ( 5.126 -4.722 1.057) 7.049 16.185 ( -3.558 6.112 -0.991) 7.141 16.733 ( 4.297 -2.287 -1.381) 5.060 17.067 ( -2.847 9.202 5.213) 10.952 17.753 ( 18.491 -4.137 2.974) 19.180 18.201 ( 10.940 -20.054 -1.653) 22.904 18.843 ( 5.347 -3.655 -2.314) 6.878 19.103 ( 3.438 -5.632 -3.368) 7.408 20.612 ( 6.034 -30.872 -3.065) 31.606 21.285 ( -1.419 -15.809 9.010) 18.252 21.923 ( -1.004 -34.490 1.050) 34.521 22.302 ( 10.421 -32.762 -5.507) 34.818 23.036 ( -7.718 -7.215 2.296) 10.812 25.252 ( -7.868 10.423 -5.293) 14.091 ======================= Grid point 477 (225/231) ======================= q-point: (-0.08 -0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -14.846 -13.408 10.832) 22.748 2.200 ( -10.393 -13.826 6.667) 18.537 2.338 ( -7.244 -15.376 -7.549) 18.598 2.548 ( -11.470 -10.111 -14.581) 21.129 3.456 ( 2.075 -7.037 4.378) 8.543 3.606 ( 4.320 -4.911 0.072) 6.541 3.686 ( 1.596 -4.355 7.528) 8.842 3.859 ( -12.954 -20.747 16.012) 29.234 4.076 ( 1.951 -5.503 4.465) 7.350 4.252 ( 4.368 -10.935 11.249) 16.284 4.445 ( -4.933 -15.076 -20.742) 26.112 4.617 ( -2.885 -15.064 -9.692) 18.143 4.856 ( -4.087 -13.661 -2.570) 14.489 5.031 ( -1.647 -15.420 -7.142) 17.073 5.458 ( 10.818 -15.991 4.201) 19.758 5.642 ( 9.211 -12.187 -11.207) 18.946 6.371 ( 2.202 -15.730 5.305) 16.746 6.515 ( 1.498 -12.587 6.979) 14.471 6.817 ( -0.186 -3.871 1.938) 4.333 7.065 ( 1.676 -4.014 -2.707) 5.124 7.660 ( 0.505 -14.637 2.392) 14.840 8.018 ( 1.616 -7.547 -2.573) 8.135 8.937 ( 4.102 10.781 0.037) 11.535 9.099 ( 4.621 6.032 -0.744) 7.635 9.642 ( -2.967 2.112 0.184) 3.646 10.285 ( 2.225 1.596 13.677) 13.949 11.026 ( -9.148 20.312 -0.239) 22.278 11.844 ( -17.581 9.374 -14.834) 24.839 12.451 ( -13.235 16.364 12.056) 24.254 12.855 ( -3.167 15.919 -0.665) 16.245 13.746 ( -0.758 13.146 -2.876) 13.478 14.166 ( -10.875 12.459 -5.872) 17.549 14.641 ( 8.373 12.785 2.320) 15.458 15.302 ( 9.073 14.457 -0.642) 17.081 15.706 ( -2.763 18.568 -0.725) 18.786 15.991 ( -6.137 7.540 4.041) 10.528 16.682 ( -1.400 13.531 -1.129) 13.650 17.164 ( 5.858 -15.507 1.852) 16.679 18.062 ( 17.446 -9.047 0.417) 19.657 18.559 ( 11.579 -4.292 -2.832) 12.669 18.905 ( 5.400 -7.937 4.213) 10.484 19.402 ( 0.673 -16.062 -5.538) 17.003 21.106 ( 7.145 -16.504 -0.503) 17.992 21.636 ( 2.079 -19.124 3.502) 19.553 22.584 ( -2.108 -33.384 2.695) 33.559 22.912 ( 1.178 -19.044 -10.587) 21.821 23.305 ( -0.313 -27.700 7.239) 28.632 25.013 ( -8.989 6.976 -2.842) 11.728 ======================= Grid point 488 (226/231) ======================= q-point: (-0.23 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -8.599 -0.000 24.021) 25.513 1.876 ( -21.198 -0.000 15.831) 26.457 1.932 ( -5.940 -0.000 -23.496) 24.235 2.386 ( -14.286 -0.000 -16.360) 21.720 3.032 ( -34.583 -0.000 23.789) 41.975 3.163 ( 1.252 0.000 10.875) 10.946 3.207 ( -3.186 -0.000 -0.209) 3.193 3.486 ( 1.106 0.000 -8.069) 8.145 3.516 ( 10.356 0.000 -4.305) 11.215 3.870 ( 5.055 0.000 0.924) 5.139 3.972 ( -9.979 -0.000 -23.008) 25.079 4.053 ( 4.768 0.000 19.266) 19.847 4.143 ( 5.095 0.000 -0.384) 5.110 4.653 ( 4.182 0.000 -23.070) 23.446 4.876 ( 5.350 0.000 15.631) 16.521 5.268 ( 3.754 0.000 -16.719) 17.135 5.836 ( 0.389 0.000 8.519) 8.527 6.101 ( 3.138 0.000 7.662) 8.280 6.743 ( 7.057 0.000 -0.725) 7.095 6.979 ( 6.495 0.000 -1.996) 6.794 7.182 ( -3.788 -0.000 4.032) 5.532 7.740 ( -1.556 -0.000 -1.796) 2.376 9.359 ( 3.422 0.000 -1.543) 3.753 9.585 ( 5.498 0.000 -4.901) 7.365 9.933 ( 11.489 0.000 12.619) 17.066 10.572 ( 8.114 0.000 16.900) 18.747 11.940 ( -4.167 -0.000 -3.085) 5.184 12.783 ( -4.975 -0.000 -13.095) 14.008 13.405 ( 4.017 0.000 2.321) 4.640 13.802 ( -6.489 -0.000 5.820) 8.717 14.102 ( -0.145 -0.000 5.581) 5.583 14.596 ( -8.713 -0.000 -1.720) 8.881 14.822 ( 0.340 0.000 -9.292) 9.298 15.206 ( 6.040 0.000 9.818) 11.527 15.771 ( 7.870 0.000 -10.479) 13.105 16.179 ( 12.611 0.000 1.167) 12.665 16.986 ( -7.401 -0.000 8.236) 11.073 17.329 ( 0.042 0.000 17.799) 17.799 17.540 ( 0.234 0.000 0.909) 0.939 17.961 ( 0.428 0.000 -17.257) 17.262 18.630 ( 8.147 0.000 -18.520) 20.233 19.291 ( 0.012 0.000 3.629) 3.629 19.763 ( 6.146 0.000 8.237) 10.278 20.521 ( -0.013 -0.000 -0.469) 0.469 21.155 ( -2.186 -0.000 10.518) 10.743 21.686 ( 8.435 0.000 -3.495) 9.130 22.938 ( -9.267 -0.000 -1.160) 9.339 25.541 ( -4.995 -0.000 -11.279) 12.336 ======================= Grid point 489 (227/231) ======================= q-point: (-0.15 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -9.951 -11.758 19.445) 24.807 1.755 ( -22.556 -4.908 7.953) 24.415 1.932 ( -6.224 -4.738 -15.005) 16.921 2.312 ( -16.766 -3.441 -16.345) 23.666 2.945 ( -27.059 -15.708 32.665) 45.232 3.174 ( -1.206 -4.917 3.320) 6.054 3.360 ( 3.114 -10.391 -1.122) 10.906 3.486 ( 5.227 -3.501 -4.286) 7.612 3.743 ( 4.276 -11.774 -5.170) 13.551 3.913 ( -6.318 -2.073 -14.803) 16.228 4.024 ( 5.422 -8.081 -0.581) 9.749 4.089 ( 4.923 -4.425 7.974) 10.363 4.298 ( 0.559 -9.872 2.747) 10.263 4.716 ( 1.955 -3.902 -20.017) 20.487 4.975 ( 5.785 -6.237 13.125) 15.641 5.335 ( 4.293 -4.012 -16.099) 17.138 5.897 ( -0.714 -6.706 8.139) 10.570 6.169 ( 3.487 -4.458 7.250) 9.198 6.778 ( 4.185 0.578 1.092) 4.364 7.019 ( 5.922 0.635 -3.105) 6.716 7.216 ( -3.268 -6.321 3.631) 7.989 7.766 ( -1.283 -3.800 -1.695) 4.354 9.299 ( 2.339 7.501 -1.706) 8.041 9.524 ( 4.611 9.368 -3.782) 11.105 9.905 ( 8.076 9.419 7.452) 14.473 10.556 ( 12.199 9.240 20.347) 25.460 11.793 ( -4.749 11.734 -0.444) 12.667 12.511 ( -11.167 20.388 -15.447) 27.910 13.178 ( -4.985 20.405 13.034) 24.721 13.498 ( -9.863 15.768 -2.520) 18.769 14.275 ( 0.669 8.811 -8.356) 12.162 14.391 ( -7.639 -3.547 3.628) 9.170 15.060 ( 2.457 -0.233 3.033) 3.910 15.316 ( 7.891 -15.254 1.369) 17.228 15.873 ( 11.731 -2.481 -1.954) 12.148 16.230 ( 7.051 0.335 -5.084) 8.700 16.811 ( -6.298 8.267 4.658) 11.389 17.263 ( -3.198 12.059 6.361) 14.004 17.708 ( 4.253 -19.363 5.691) 20.626 17.990 ( 8.651 0.118 -4.192) 9.614 18.642 ( 9.314 -9.978 -12.436) 18.466 19.373 ( 2.172 19.116 -0.914) 19.261 19.957 ( 10.247 -37.961 0.891) 39.330 20.940 ( -1.173 -24.166 7.361) 25.290 21.310 ( -1.114 -21.489 5.694) 22.259 21.891 ( 9.160 -15.935 -4.529) 18.930 22.878 ( -12.117 -2.244 -0.904) 12.356 25.391 ( -9.087 9.368 -11.066) 17.112 ======================= Grid point 490 (228/231) ======================= q-point: (-0.08 -0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -16.962 -13.308 12.851) 25.099 1.800 ( -16.085 -15.907 10.014) 24.739 2.037 ( -4.726 -10.733 -12.470) 17.118 2.282 ( -14.899 -6.843 -17.230) 23.785 3.208 ( -13.701 -23.120 28.372) 39.079 3.333 ( -2.169 -12.215 8.786) 15.203 3.546 ( 5.505 -6.533 -0.999) 8.601 3.666 ( 5.881 -5.121 2.393) 8.157 3.969 ( 0.463 -7.547 0.714) 7.595 4.006 ( -6.175 -15.639 -16.184) 23.338 4.179 ( 5.422 -7.002 -2.601) 9.230 4.337 ( 2.841 -13.223 -1.415) 13.599 4.539 ( -0.888 -15.693 -2.083) 15.856 4.811 ( -2.200 -6.559 -11.212) 13.174 5.218 ( 6.681 -13.942 7.307) 17.099 5.493 ( 6.303 -8.884 -13.684) 17.491 6.090 ( -0.520 -13.281 7.008) 15.025 6.323 ( 2.890 -8.754 6.262) 11.145 6.789 ( 1.188 0.079 3.292) 3.501 7.045 ( 3.142 -0.061 -4.226) 5.267 7.384 ( -1.282 -12.639 3.276) 13.120 7.870 ( 0.097 -7.466 -2.235) 7.794 9.154 ( 2.572 8.262 -0.675) 8.679 9.325 ( 3.086 13.074 -2.105) 13.597 9.745 ( 1.698 9.527 2.717) 10.052 10.442 ( 10.528 10.129 20.361) 25.060 11.416 ( -5.664 22.858 1.322) 23.586 11.966 ( -20.570 19.632 -16.212) 32.732 12.684 ( -15.882 19.273 12.747) 28.038 13.151 ( -2.363 15.733 -3.164) 16.221 14.006 ( 0.356 14.100 -3.975) 14.654 14.291 ( -10.465 8.111 -4.991) 14.150 14.934 ( 5.428 11.431 4.416) 13.403 15.542 ( 5.994 2.527 -1.663) 6.714 15.942 ( 2.449 5.574 3.427) 6.987 16.142 ( -2.236 11.406 -2.895) 11.978 16.799 ( 4.356 -7.233 -1.658) 8.604 17.028 ( -2.185 6.215 4.112) 7.765 18.016 ( 15.439 -8.957 3.468) 18.183 18.378 ( 13.374 -22.256 -0.661) 25.974 18.934 ( 6.734 -2.848 -5.479) 9.136 19.135 ( 0.833 -2.702 -0.061) 2.829 20.760 ( 14.732 -29.448 -5.655) 33.410 21.285 ( 1.295 -17.428 10.165) 20.217 21.901 ( -1.731 -34.418 1.268) 34.485 22.456 ( 10.098 -31.472 -7.865) 33.975 22.880 ( -13.672 -9.981 3.399) 17.265 25.106 ( -11.641 10.266 -6.357) 16.772 ======================= Grid point 502 (229/231) ======================= q-point: (-0.15 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -6.911 -0.000 26.687) 27.568 1.546 ( -23.797 -0.000 17.819) 29.729 1.847 ( -4.887 -0.000 -24.904) 25.379 2.137 ( -18.305 -0.000 -18.444) 25.986 2.573 ( -26.837 -0.000 38.823) 47.196 3.149 ( -4.474 -0.000 -24.666) 25.068 3.188 ( 1.780 0.000 11.878) 12.011 3.496 ( 0.475 0.000 -8.731) 8.744 3.660 ( 9.150 0.000 1.090) 9.215 3.896 ( -0.957 -0.000 -8.966) 9.017 3.934 ( 3.595 0.000 1.066) 3.749 4.128 ( 5.299 0.000 13.125) 14.155 4.208 ( 3.652 0.000 -0.314) 3.666 4.690 ( 0.999 0.000 -21.880) 21.903 4.953 ( 4.546 0.000 14.603) 15.294 5.322 ( 3.670 0.000 -16.335) 16.742 5.819 ( -2.352 -0.000 8.568) 8.885 6.154 ( 3.431 0.000 5.123) 6.166 6.816 ( 3.435 0.000 3.711) 5.057 7.074 ( 5.916 0.000 -4.748) 7.586 7.128 ( -3.482 -0.000 3.885) 5.217 7.718 ( -1.292 -0.000 -1.552) 2.019 9.389 ( 0.184 0.000 -3.528) 3.533 9.649 ( 3.501 0.000 -2.777) 4.469 10.073 ( 7.048 0.000 1.575) 7.222 10.833 ( 26.760 0.000 25.097) 36.687 11.870 ( -4.439 -0.000 1.790) 4.786 12.726 ( -2.730 -0.000 -10.418) 10.769 13.414 ( -3.477 -0.000 -0.752) 3.558 13.734 ( -2.558 -0.000 6.357) 6.853 14.101 ( -0.112 -0.000 5.521) 5.522 14.524 ( -0.935 -0.000 -0.031) 0.936 14.826 ( 0.289 0.000 -9.244) 9.248 15.306 ( 8.110 0.000 11.529) 14.095 15.906 ( 10.184 0.000 -8.155) 13.047 16.312 ( 4.589 0.000 -0.209) 4.594 16.862 ( -9.000 -0.000 4.012) 9.853 17.332 ( -0.041 -0.000 17.851) 17.851 17.545 ( -0.138 -0.000 -0.988) 0.998 17.964 ( 0.423 0.000 -17.327) 17.332 18.767 ( 10.686 0.000 -14.042) 17.646 19.291 ( 0.008 0.000 3.657) 3.657 19.885 ( 11.201 0.000 9.994) 15.012 20.520 ( -0.015 -0.000 -0.472) 0.473 21.131 ( -1.196 -0.000 13.093) 13.148 21.799 ( 6.594 0.000 -4.860) 8.191 22.757 ( -15.550 -0.000 -3.345) 15.906 25.420 ( -11.534 -0.000 -16.516) 20.145 ======================= Grid point 503 (230/231) ======================= q-point: (-0.08 -0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -12.336 -6.626 19.796) 24.248 1.429 ( -18.764 -7.763 17.623) 26.887 1.852 ( -4.640 -4.634 -19.958) 21.008 2.062 ( -15.444 -4.633 -20.776) 26.298 2.617 ( -17.590 -20.966 41.826) 49.985 3.171 ( 0.408 -6.198 -5.239) 8.126 3.378 ( -0.152 -14.497 -10.955) 18.171 3.541 ( 2.522 -5.310 -5.241) 7.876 3.799 ( 2.691 -6.052 0.400) 6.635 3.865 ( 0.341 -0.685 -2.982) 3.079 4.099 ( 3.837 -10.651 2.474) 11.589 4.176 ( 6.451 -2.474 5.255) 8.680 4.311 ( 1.252 -7.433 -0.459) 7.551 4.711 ( -2.204 -2.409 -18.193) 18.484 5.052 ( 4.259 -7.081 11.745) 14.360 5.393 ( 3.681 -4.919 -15.187) 16.383 5.875 ( -1.996 -7.527 8.253) 11.347 6.218 ( 2.706 -4.298 3.324) 6.070 6.821 ( 2.088 1.481 6.031) 6.551 7.091 ( 3.572 1.690 -5.474) 6.751 7.176 ( -2.087 -7.126 3.463) 8.193 7.751 ( -0.678 -4.259 -1.669) 4.625 9.307 ( -1.461 6.782 -3.125) 7.609 9.577 ( 2.922 9.371 -1.353) 9.909 9.998 ( 4.599 11.348 1.191) 12.303 10.850 ( 25.753 16.803 22.912) 38.348 11.717 ( -4.821 12.819 5.654) 14.817 12.349 ( -10.364 28.946 -9.684) 32.234 13.021 ( -15.246 28.073 11.702) 34.021 13.418 ( -2.116 14.567 -5.935) 15.872 14.280 ( -1.673 6.995 -1.887) 7.436 14.309 ( -1.727 4.405 -3.667) 5.986 15.086 ( 1.146 -3.617 -0.388) 3.814 15.470 ( 12.723 -11.739 4.072) 17.784 16.035 ( 9.152 -1.706 3.274) 9.869 16.286 ( 1.169 3.055 -7.226) 7.932 16.702 ( -8.058 3.404 0.490) 8.762 17.226 ( -2.025 12.582 6.075) 14.118 17.766 ( 3.184 -23.649 2.540) 23.998 18.131 ( 9.643 -12.026 -1.051) 15.450 18.792 ( 10.748 -5.776 -6.584) 13.865 19.364 ( -3.372 12.696 -4.723) 13.959 20.202 ( 23.841 -35.862 -0.184) 43.064 20.925 ( -1.490 -24.293 7.802) 25.559 21.305 ( 0.524 -21.441 6.220) 22.331 22.003 ( 5.519 -17.959 -3.583) 19.127 22.655 ( -17.827 -2.675 -3.948) 18.454 25.214 ( -14.540 9.574 -12.486) 21.424 ======================= Grid point 516 (231/231) ======================= q-point: (-0.08 -0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 5.25e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -17.244 -0.000 24.595) 30.038 1.233 ( -3.693 -0.000 28.861) 29.096 1.785 ( -2.905 -0.000 -25.970) 26.132 1.877 ( -15.738 -0.000 -21.817) 26.901 2.279 ( -13.952 -0.000 45.539) 47.628 3.092 ( -1.917 -0.000 -38.739) 38.786 3.216 ( 1.747 0.000 12.412) 12.535 3.496 ( -0.320 -0.000 -9.148) 9.153 3.777 ( 6.073 0.000 7.369) 9.549 3.893 ( -0.161 -0.000 3.801) 3.805 3.973 ( 1.708 0.000 1.356) 2.180 4.219 ( 6.772 0.000 3.464) 7.607 4.249 ( 1.846 0.000 -0.210) 1.858 4.670 ( -3.131 -0.000 -19.088) 19.343 5.011 ( 3.007 0.000 12.849) 13.196 5.363 ( 2.040 0.000 -15.248) 15.384 5.785 ( -1.964 -0.000 8.752) 8.969 6.194 ( 1.873 0.000 0.386) 1.912 6.857 ( 2.266 0.000 8.503) 8.800 7.087 ( -2.132 -0.000 3.737) 4.303 7.139 ( 2.806 0.000 -6.950) 7.495 7.703 ( -0.727 -0.000 -1.360) 1.542 9.360 ( -3.547 -0.000 -3.915) 5.283 9.694 ( 2.712 0.000 -0.164) 2.717 10.151 ( 3.692 0.000 -0.460) 3.720 11.223 ( 17.089 0.000 2.828) 17.322 11.908 ( 14.765 0.000 13.990) 20.340 12.681 ( -3.989 -0.000 -5.396) 6.711 13.323 ( -7.064 -0.000 -0.846) 7.114 13.716 ( -0.501 -0.000 3.537) 3.572 14.100 ( -0.068 -0.000 5.457) 5.458 14.555 ( 3.777 0.000 0.163) 3.780 14.828 ( 0.196 0.000 -9.200) 9.202 15.479 ( 16.171 0.000 11.155) 19.646 16.026 ( 4.083 0.000 -1.826) 4.473 16.294 ( -6.561 -0.000 -4.912) 8.196 16.759 ( -3.786 -0.000 1.207) 3.973 17.333 ( -0.164 -0.000 17.916) 17.917 17.522 ( -2.989 -0.000 -1.904) 3.544 17.967 ( 0.369 0.000 -17.395) 17.399 18.909 ( 7.238 0.000 -7.207) 10.214 19.292 ( -0.007 -0.000 3.669) 3.669 20.133 ( 22.821 0.000 8.751) 24.441 20.520 ( -0.012 -0.000 -0.468) 0.468 21.118 ( -1.161 -0.000 11.997) 12.053 21.863 ( 2.049 0.000 -2.526) 3.252 22.493 ( -19.213 -0.000 -6.497) 20.281 25.199 ( -17.373 -0.000 -14.749) 22.789 =================== 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 3/40560 10.0 4208.583 1619.156 2721.449 0.000 171.680 0.000 3/40560 20.0 1061.077 909.299 874.420 0.000 54.183 0.000 3/40560 30.0 374.710 397.472 344.567 0.000 21.434 0.000 3/40560 40.0 182.915 208.626 184.032 0.000 10.210 0.000 3/40560 50.0 110.570 131.973 117.985 0.000 5.842 0.000 3/40560 60.0 76.102 93.900 84.391 0.000 3.841 0.000 3/40560 70.0 56.890 71.941 64.720 0.000 2.781 0.000 3/40560 80.0 44.953 57.892 52.032 0.000 2.153 0.000 3/40560 90.0 36.934 48.220 43.262 0.000 1.745 0.000 3/40560 100.0 31.224 41.195 36.881 0.000 1.463 0.000 3/40560 110.0 26.975 35.883 32.053 0.000 1.257 0.000 3/40560 120.0 23.702 31.739 28.287 0.000 1.100 0.000 3/40560 130.0 21.110 28.424 25.276 0.000 0.976 0.000 3/40560 140.0 19.012 25.720 22.820 0.000 0.877 0.000 3/40560 150.0 17.281 23.475 20.782 0.000 0.795 0.000 3/40560 160.0 15.831 21.586 19.067 0.000 0.727 0.000 3/40560 170.0 14.600 19.976 17.606 0.000 0.669 0.000 3/40560 180.0 13.543 18.589 16.347 0.000 0.619 0.000 3/40560 190.0 12.627 17.383 15.254 0.000 0.576 0.000 3/40560 200.0 11.826 16.327 14.295 0.000 0.538 0.000 3/40560 210.0 11.120 15.393 13.448 0.000 0.504 0.000 3/40560 220.0 10.493 14.563 12.696 0.000 0.475 0.000 3/40560 230.0 9.934 13.820 12.023 0.000 0.448 0.000 3/40560 240.0 9.431 13.151 11.417 0.000 0.424 0.000 3/40560 250.0 8.977 12.546 10.870 0.000 0.403 0.000 3/40560 260.0 8.565 11.996 10.374 0.000 0.383 0.000 3/40560 270.0 8.189 11.494 9.921 0.000 0.366 0.000 3/40560 280.0 7.846 11.034 9.506 0.000 0.350 0.000 3/40560 290.0 7.531 10.611 9.125 0.000 0.335 0.000 3/40560 300.0 7.240 10.220 8.774 0.000 0.321 0.000 3/40560 310.0 6.972 9.858 8.450 0.000 0.308 0.000 3/40560 320.0 6.723 9.522 8.149 0.000 0.297 0.000 3/40560 330.0 6.492 9.209 7.869 0.000 0.286 0.000 3/40560 340.0 6.276 8.916 7.608 0.000 0.276 0.000 3/40560 350.0 6.075 8.642 7.364 0.000 0.267 0.000 3/40560 360.0 5.886 8.385 7.135 0.000 0.258 0.000 3/40560 370.0 5.709 8.144 6.921 0.000 0.250 0.000 3/40560 380.0 5.542 7.916 6.719 0.000 0.242 0.000 3/40560 390.0 5.386 7.701 6.529 0.000 0.235 0.000 3/40560 400.0 5.238 7.498 6.350 0.000 0.228 0.000 3/40560 410.0 5.098 7.306 6.180 0.000 0.222 0.000 3/40560 420.0 4.966 7.124 6.020 0.000 0.216 0.000 3/40560 430.0 4.840 6.950 5.868 0.000 0.210 0.000 3/40560 440.0 4.721 6.785 5.723 0.000 0.204 0.000 3/40560 450.0 4.607 6.628 5.586 0.000 0.199 0.000 3/40560 460.0 4.500 6.479 5.455 0.000 0.194 0.000 3/40560 470.0 4.397 6.336 5.330 0.000 0.190 0.000 3/40560 480.0 4.299 6.199 5.211 0.000 0.185 0.000 3/40560 490.0 4.205 6.068 5.097 0.000 0.181 0.000 3/40560 500.0 4.115 5.943 4.989 0.000 0.177 0.000 3/40560 510.0 4.029 5.823 4.885 0.000 0.173 0.000 3/40560 520.0 3.947 5.708 4.785 0.000 0.169 0.000 3/40560 530.0 3.868 5.597 4.689 0.000 0.166 0.000 3/40560 540.0 3.792 5.491 4.597 0.000 0.162 0.000 3/40560 550.0 3.719 5.389 4.509 0.000 0.159 0.000 3/40560 560.0 3.649 5.290 4.424 0.000 0.156 0.000 3/40560 570.0 3.582 5.195 4.342 0.000 0.153 0.000 3/40560 580.0 3.517 5.104 4.264 0.000 0.150 0.000 3/40560 590.0 3.455 5.015 4.188 0.000 0.147 0.000 3/40560 600.0 3.394 4.930 4.115 0.000 0.145 0.000 3/40560 610.0 3.336 4.848 4.044 0.000 0.142 0.000 3/40560 620.0 3.280 4.768 3.976 0.000 0.140 0.000 3/40560 630.0 3.226 4.691 3.910 0.000 0.137 0.000 3/40560 640.0 3.173 4.616 3.846 0.000 0.135 0.000 3/40560 650.0 3.122 4.544 3.785 0.000 0.133 0.000 3/40560 660.0 3.073 4.474 3.725 0.000 0.131 0.000 3/40560 670.0 3.026 4.407 3.667 0.000 0.129 0.000 3/40560 680.0 2.979 4.341 3.611 0.000 0.127 0.000 3/40560 690.0 2.935 4.277 3.557 0.000 0.125 0.000 3/40560 700.0 2.891 4.215 3.504 0.000 0.123 0.000 3/40560 710.0 2.849 4.155 3.453 0.000 0.121 0.000 3/40560 720.0 2.808 4.096 3.404 0.000 0.119 0.000 3/40560 730.0 2.768 4.040 3.356 0.000 0.117 0.000 3/40560 740.0 2.730 3.984 3.309 0.000 0.116 0.000 3/40560 750.0 2.692 3.931 3.263 0.000 0.114 0.000 3/40560 760.0 2.656 3.878 3.219 0.000 0.112 0.000 3/40560 770.0 2.620 3.827 3.176 0.000 0.111 0.000 3/40560 780.0 2.586 3.778 3.134 0.000 0.109 0.000 3/40560 790.0 2.552 3.730 3.093 0.000 0.108 0.000 3/40560 800.0 2.519 3.683 3.054 0.000 0.107 0.000 3/40560 810.0 2.487 3.637 3.015 0.000 0.105 0.000 3/40560 820.0 2.456 3.592 2.977 0.000 0.104 0.000 3/40560 830.0 2.426 3.548 2.940 0.000 0.102 0.000 3/40560 840.0 2.396 3.506 2.904 0.000 0.101 0.000 3/40560 850.0 2.368 3.464 2.869 0.000 0.100 0.000 3/40560 860.0 2.339 3.423 2.835 0.000 0.099 0.000 3/40560 870.0 2.312 3.384 2.802 0.000 0.098 0.000 3/40560 880.0 2.285 3.345 2.769 0.000 0.096 0.000 3/40560 890.0 2.259 3.307 2.738 0.000 0.095 0.000 3/40560 900.0 2.233 3.270 2.706 0.000 0.094 0.000 3/40560 910.0 2.208 3.234 2.676 0.000 0.093 0.000 3/40560 920.0 2.184 3.199 2.646 0.000 0.092 0.000 3/40560 930.0 2.160 3.164 2.617 0.000 0.091 0.000 3/40560 940.0 2.136 3.130 2.589 0.000 0.090 0.000 3/40560 950.0 2.113 3.097 2.561 0.000 0.089 0.000 3/40560 960.0 2.091 3.064 2.534 0.000 0.088 0.000 3/40560 970.0 2.069 3.033 2.507 0.000 0.087 0.000 3/40560 980.0 2.047 3.002 2.481 0.000 0.086 0.000 3/40560 990.0 2.026 2.971 2.456 0.000 0.085 0.000 3/40560 1000.0 2.006 2.941 2.431 0.000 0.084 0.000 3/40560 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:33:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|