----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:01:19]------------------------- 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: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.242756160278142 0.000000000000000 0.000000000000000 b 0.000000000000000 6.935304150000002 0.000000000000000 c -0.816568225856075 0.000000000000000 6.599140978486415 Atomic positions (fractional): *1 S 0.57792618491930 0.27527369427226 0.49896568261801 32.065 2 S 0.42207381508070 0.77527369427226 0.00103431738199 32.065 3 S 0.42207381508070 0.72472630572774 0.50103431738199 32.065 4 S 0.57792618491930 0.22472630572774 0.99896568261801 32.065 *5 S 0.90297439235159 0.61008828456813 0.21984632782453 32.065 6 S 0.90297439235159 0.88991171543187 0.71984632782453 32.065 7 S 0.09702560764841 0.38991171543187 0.78015367217547 32.065 8 S 0.09702560764841 0.11008828456813 0.28015367217547 32.065 *9 Cu 0.92509861459553 0.16326245835589 0.94984472287376 63.546 10 Cu 0.07490138540447 0.83673754164411 0.05015527712624 63.546 11 Cu 0.07490138540447 0.66326245835589 0.55015527712624 63.546 12 Cu 0.92509861459553 0.33673754164411 0.44984472287376 63.546 *13 Tb 0.69245918396047 0.95205118320854 0.30161677210622 158.925 14 Tb 0.30754081603953 0.45205118320854 0.19838322789378 158.925 15 Tb 0.30754081603953 0.04794881679145 0.69838322789378 158.925 16 Tb 0.69245918396047 0.54794881679146 0.80161677210622 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.242756160278142 0.000000000000000 0.000000000000000 b 0.000000000000000 6.935304150000002 0.000000000000000 c -0.816568225856075 0.000000000000000 6.599140978486415 Atomic positions (fractional): *1 S 0.57792618491930 0.27527369427226 0.49896568261801 32.065 > 1 2 S 0.42207381508070 0.77527369427226 0.00103431738199 32.065 > 2 3 S 0.42207381508070 0.72472630572774 0.50103431738199 32.065 > 3 4 S 0.57792618491930 0.22472630572774 0.99896568261801 32.065 > 4 *5 S 0.90297439235159 0.61008828456813 0.21984632782453 32.065 > 5 6 S 0.90297439235159 0.88991171543187 0.71984632782453 32.065 > 6 7 S 0.09702560764841 0.38991171543187 0.78015367217547 32.065 > 7 8 S 0.09702560764841 0.11008828456813 0.28015367217547 32.065 > 8 *9 Cu 0.92509861459553 0.16326245835589 0.94984472287376 63.546 > 9 10 Cu 0.07490138540447 0.83673754164411 0.05015527712624 63.546 > 10 11 Cu 0.07490138540447 0.66326245835589 0.55015527712624 63.546 > 11 12 Cu 0.92509861459553 0.33673754164411 0.44984472287376 63.546 > 12 *13 Tb 0.69245918396047 0.95205118320854 0.30161677210622 158.925 > 13 14 Tb 0.30754081603953 0.45205118320854 0.19838322789378 158.925 > 14 15 Tb 0.30754081603953 0.04794881679145 0.69838322789378 158.925 > 15 16 Tb 0.69245918396047 0.54794881679146 0.80161677210622 158.925 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.485512320556284 0.000000000000000 0.000000000000000 b 0.000000000000000 13.870608300000004 0.000000000000000 c -1.633136451712150 0.000000000000000 13.198281956972830 Atomic positions (fractional): *1 S 0.28896309245965 0.13763684713613 0.24948284130901 32.065 > 1 2 S 0.78896309245965 0.13763684713613 0.24948284130901 32.065 > 1 3 S 0.28896309245965 0.63763684713613 0.24948284130901 32.065 > 1 4 S 0.78896309245965 0.63763684713613 0.24948284130901 32.065 > 1 5 S 0.28896309245965 0.13763684713613 0.74948284130901 32.065 > 1 6 S 0.78896309245965 0.13763684713613 0.74948284130901 32.065 > 1 7 S 0.28896309245965 0.63763684713613 0.74948284130901 32.065 > 1 8 S 0.78896309245965 0.63763684713613 0.74948284130901 32.065 > 1 9 S 0.21103690754035 0.38763684713613 0.00051715869099 32.065 > 2 10 S 0.71103690754035 0.38763684713613 0.00051715869099 32.065 > 2 11 S 0.21103690754035 0.88763684713613 0.00051715869099 32.065 > 2 12 S 0.71103690754035 0.88763684713613 0.00051715869099 32.065 > 2 13 S 0.21103690754035 0.38763684713613 0.50051715869099 32.065 > 2 14 S 0.71103690754035 0.38763684713613 0.50051715869099 32.065 > 2 15 S 0.21103690754035 0.88763684713613 0.50051715869099 32.065 > 2 16 S 0.71103690754035 0.88763684713613 0.50051715869099 32.065 > 2 17 S 0.21103690754035 0.36236315286387 0.25051715869099 32.065 > 3 18 S 0.71103690754035 0.36236315286387 0.25051715869099 32.065 > 3 19 S 0.21103690754035 0.86236315286387 0.25051715869099 32.065 > 3 20 S 0.71103690754035 0.86236315286387 0.25051715869099 32.065 > 3 21 S 0.21103690754035 0.36236315286387 0.75051715869099 32.065 > 3 22 S 0.71103690754035 0.36236315286387 0.75051715869099 32.065 > 3 23 S 0.21103690754035 0.86236315286387 0.75051715869099 32.065 > 3 24 S 0.71103690754035 0.86236315286387 0.75051715869099 32.065 > 3 25 S 0.28896309245965 0.11236315286387 0.49948284130901 32.065 > 4 26 S 0.78896309245965 0.11236315286387 0.49948284130901 32.065 > 4 27 S 0.28896309245965 0.61236315286387 0.49948284130901 32.065 > 4 28 S 0.78896309245965 0.61236315286387 0.49948284130901 32.065 > 4 29 S 0.28896309245965 0.11236315286387 0.99948284130901 32.065 > 4 30 S 0.78896309245965 0.11236315286387 0.99948284130901 32.065 > 4 31 S 0.28896309245965 0.61236315286387 0.99948284130901 32.065 > 4 32 S 0.78896309245965 0.61236315286387 0.99948284130901 32.065 > 4 *33 S 0.45148719617580 0.30504414228407 0.10992316391226 32.065 > 5 34 S 0.95148719617580 0.30504414228407 0.10992316391226 32.065 > 5 35 S 0.45148719617580 0.80504414228407 0.10992316391226 32.065 > 5 36 S 0.95148719617580 0.80504414228407 0.10992316391226 32.065 > 5 37 S 0.45148719617580 0.30504414228407 0.60992316391226 32.065 > 5 38 S 0.95148719617580 0.30504414228407 0.60992316391226 32.065 > 5 39 S 0.45148719617580 0.80504414228407 0.60992316391226 32.065 > 5 40 S 0.95148719617580 0.80504414228407 0.60992316391226 32.065 > 5 41 S 0.45148719617580 0.44495585771593 0.35992316391226 32.065 > 6 42 S 0.95148719617580 0.44495585771593 0.35992316391226 32.065 > 6 43 S 0.45148719617580 0.94495585771593 0.35992316391226 32.065 > 6 44 S 0.95148719617580 0.94495585771593 0.35992316391226 32.065 > 6 45 S 0.45148719617580 0.44495585771593 0.85992316391226 32.065 > 6 46 S 0.95148719617580 0.44495585771593 0.85992316391226 32.065 > 6 47 S 0.45148719617580 0.94495585771593 0.85992316391226 32.065 > 6 48 S 0.95148719617580 0.94495585771593 0.85992316391226 32.065 > 6 49 S 0.04851280382421 0.19495585771593 0.39007683608774 32.065 > 7 50 S 0.54851280382420 0.19495585771593 0.39007683608774 32.065 > 7 51 S 0.04851280382421 0.69495585771593 0.39007683608774 32.065 > 7 52 S 0.54851280382420 0.69495585771593 0.39007683608774 32.065 > 7 53 S 0.04851280382421 0.19495585771593 0.89007683608774 32.065 > 7 54 S 0.54851280382420 0.19495585771593 0.89007683608774 32.065 > 7 55 S 0.04851280382421 0.69495585771593 0.89007683608774 32.065 > 7 56 S 0.54851280382420 0.69495585771593 0.89007683608774 32.065 > 7 57 S 0.04851280382421 0.05504414228407 0.14007683608774 32.065 > 8 58 S 0.54851280382420 0.05504414228407 0.14007683608774 32.065 > 8 59 S 0.04851280382421 0.55504414228407 0.14007683608774 32.065 > 8 60 S 0.54851280382420 0.55504414228407 0.14007683608774 32.065 > 8 61 S 0.04851280382421 0.05504414228407 0.64007683608774 32.065 > 8 62 S 0.54851280382420 0.05504414228407 0.64007683608774 32.065 > 8 63 S 0.04851280382421 0.55504414228407 0.64007683608774 32.065 > 8 64 S 0.54851280382420 0.55504414228407 0.64007683608774 32.065 > 8 *65 Cu 0.46254930729776 0.08163122917794 0.47492236143688 63.546 > 9 66 Cu 0.96254930729776 0.08163122917794 0.47492236143688 63.546 > 9 67 Cu 0.46254930729776 0.58163122917794 0.47492236143688 63.546 > 9 68 Cu 0.96254930729776 0.58163122917794 0.47492236143688 63.546 > 9 69 Cu 0.46254930729776 0.08163122917794 0.97492236143688 63.546 > 9 70 Cu 0.96254930729776 0.08163122917794 0.97492236143688 63.546 > 9 71 Cu 0.46254930729776 0.58163122917794 0.97492236143688 63.546 > 9 72 Cu 0.96254930729776 0.58163122917794 0.97492236143688 63.546 > 9 73 Cu 0.03745069270224 0.41836877082206 0.02507763856312 63.546 > 10 74 Cu 0.53745069270224 0.41836877082206 0.02507763856312 63.546 > 10 75 Cu 0.03745069270224 0.91836877082206 0.02507763856312 63.546 > 10 76 Cu 0.53745069270224 0.91836877082206 0.02507763856312 63.546 > 10 77 Cu 0.03745069270224 0.41836877082206 0.52507763856312 63.546 > 10 78 Cu 0.53745069270224 0.41836877082206 0.52507763856312 63.546 > 10 79 Cu 0.03745069270224 0.91836877082206 0.52507763856312 63.546 > 10 80 Cu 0.53745069270224 0.91836877082206 0.52507763856312 63.546 > 10 81 Cu 0.03745069270224 0.33163122917794 0.27507763856312 63.546 > 11 82 Cu 0.53745069270224 0.33163122917794 0.27507763856312 63.546 > 11 83 Cu 0.03745069270224 0.83163122917794 0.27507763856312 63.546 > 11 84 Cu 0.53745069270224 0.83163122917794 0.27507763856312 63.546 > 11 85 Cu 0.03745069270224 0.33163122917794 0.77507763856312 63.546 > 11 86 Cu 0.53745069270224 0.33163122917794 0.77507763856312 63.546 > 11 87 Cu 0.03745069270224 0.83163122917794 0.77507763856312 63.546 > 11 88 Cu 0.53745069270224 0.83163122917794 0.77507763856312 63.546 > 11 89 Cu 0.46254930729776 0.16836877082206 0.22492236143688 63.546 > 12 90 Cu 0.96254930729776 0.16836877082206 0.22492236143688 63.546 > 12 91 Cu 0.46254930729776 0.66836877082206 0.22492236143688 63.546 > 12 92 Cu 0.96254930729776 0.66836877082206 0.22492236143688 63.546 > 12 93 Cu 0.46254930729776 0.16836877082206 0.72492236143688 63.546 > 12 94 Cu 0.96254930729776 0.16836877082206 0.72492236143688 63.546 > 12 95 Cu 0.46254930729776 0.66836877082206 0.72492236143688 63.546 > 12 96 Cu 0.96254930729776 0.66836877082206 0.72492236143688 63.546 > 12 *97 Tb 0.34622959198024 0.47602559160427 0.15080838605311 158.925 > 13 98 Tb 0.84622959198023 0.47602559160427 0.15080838605311 158.925 > 13 99 Tb 0.34622959198024 0.97602559160427 0.15080838605311 158.925 > 13 100 Tb 0.84622959198023 0.97602559160427 0.15080838605311 158.925 > 13 101 Tb 0.34622959198024 0.47602559160427 0.65080838605311 158.925 > 13 102 Tb 0.84622959198023 0.47602559160427 0.65080838605311 158.925 > 13 103 Tb 0.34622959198024 0.97602559160427 0.65080838605311 158.925 > 13 104 Tb 0.84622959198023 0.97602559160427 0.65080838605311 158.925 > 13 105 Tb 0.15377040801976 0.22602559160427 0.09919161394689 158.925 > 14 106 Tb 0.65377040801977 0.22602559160427 0.09919161394689 158.925 > 14 107 Tb 0.15377040801976 0.72602559160427 0.09919161394689 158.925 > 14 108 Tb 0.65377040801977 0.72602559160427 0.09919161394689 158.925 > 14 109 Tb 0.15377040801976 0.22602559160427 0.59919161394689 158.925 > 14 110 Tb 0.65377040801977 0.22602559160427 0.59919161394689 158.925 > 14 111 Tb 0.15377040801976 0.72602559160427 0.59919161394689 158.925 > 14 112 Tb 0.65377040801977 0.72602559160427 0.59919161394689 158.925 > 14 113 Tb 0.15377040801976 0.02397440839573 0.34919161394689 158.925 > 15 114 Tb 0.65377040801977 0.02397440839573 0.34919161394689 158.925 > 15 115 Tb 0.15377040801976 0.52397440839573 0.34919161394689 158.925 > 15 116 Tb 0.65377040801977 0.52397440839573 0.34919161394689 158.925 > 15 117 Tb 0.15377040801976 0.02397440839573 0.84919161394689 158.925 > 15 118 Tb 0.65377040801977 0.02397440839573 0.84919161394689 158.925 > 15 119 Tb 0.15377040801976 0.52397440839573 0.84919161394689 158.925 > 15 120 Tb 0.65377040801977 0.52397440839573 0.84919161394689 158.925 > 15 121 Tb 0.34622959198024 0.27397440839573 0.40080838605311 158.925 > 16 122 Tb 0.84622959198023 0.27397440839573 0.40080838605311 158.925 > 16 123 Tb 0.34622959198024 0.77397440839573 0.40080838605311 158.925 > 16 124 Tb 0.84622959198023 0.77397440839573 0.40080838605311 158.925 > 16 125 Tb 0.34622959198024 0.27397440839573 0.90080838605311 158.925 > 16 126 Tb 0.84622959198023 0.27397440839573 0.90080838605311 158.925 > 16 127 Tb 0.34622959198024 0.77397440839573 0.90080838605311 158.925 > 16 128 Tb 0.84622959198023 0.77397440839573 0.90080838605311 158.925 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6496228 0.0000000 0.1797473 0.0000000 10.7875891 0.0000000 0.1797466 0.0000000 10.9584973 -------------------------- Born effective charges -------------------------- 1 S -2.2796652 -0.1061597 0.1971596 -0.0576022 -2.8084202 -0.1669295 -0.0166182 -0.2523203 -2.2835921 2 S -2.2796652 0.1061597 0.1971596 0.0576022 -2.8084202 0.1669295 -0.0166182 0.2523203 -2.2835921 3 S -2.2796652 -0.1061597 0.1971596 -0.0576022 -2.8084202 -0.1669295 -0.0166182 -0.2523203 -2.2835921 4 S -2.2796652 0.1061597 0.1971596 0.0576022 -2.8084202 0.1669295 -0.0166182 0.2523203 -2.2835921 5 S -2.1704452 0.4269844 -0.3006409 0.6237988 -2.3992783 -0.1187077 -0.1186474 -0.2036992 -2.6093265 6 S -2.1704452 -0.4269844 -0.3006409 -0.6237988 -2.3992783 0.1187077 -0.1186474 0.2036992 -2.6093265 7 S -2.1704452 0.4269844 -0.3006409 0.6237988 -2.3992783 -0.1187077 -0.1186474 -0.2036992 -2.6093265 8 S -2.1704452 -0.4269844 -0.3006409 -0.6237988 -2.3992783 0.1187077 -0.1186474 0.2036992 -2.6093265 9 Cu 0.3389584 0.0318952 0.1037812 0.0200405 0.6121701 0.2558659 0.0376218 0.2233346 0.9446701 10 Cu 0.3389584 0.0318952 0.1037812 0.0200405 0.6121701 0.2558659 0.0376218 0.2233346 0.9446701 11 Cu 0.3389584 -0.0318952 0.1037812 -0.0200405 0.6121701 -0.2558659 0.0376218 -0.2233346 0.9446701 12 Cu 0.3389584 -0.0318952 0.1037812 -0.0200405 0.6121701 -0.2558659 0.0376218 -0.2233346 0.9446701 13 Tb 4.1111520 0.2122492 -0.0002999 0.1704440 4.5955284 -0.0054436 0.0976437 -0.2846834 3.9482485 14 Tb 4.1111520 -0.2122492 -0.0002999 -0.1704440 4.5955284 0.0054436 0.0976437 0.2846834 3.9482485 15 Tb 4.1111520 0.2122492 -0.0002999 0.1704440 4.5955284 -0.0054436 0.0976437 -0.2846834 3.9482485 16 Tb 4.1111520 -0.2122492 -0.0002999 -0.1704440 4.5955284 0.0054436 0.0976437 0.2846834 3.9482485 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.939 Solver_block: 200 / 480 - Time: 0.909 Solver_block: 300 / 480 - Time: 0.912 Solver_block: 400 / 480 - Time: 0.906 Solver_block: 480 / 480 - Time: 0.742 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.502 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yx) -0.00000000 (yx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 255 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 7), data: (512, 15) @ (15, 7) |-- (262, 255), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) 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 2026-01-07 21:01:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:01:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.242756160278142 0.000000000000000 0.000000000000000 b 0.000000000000000 6.935304150000002 0.000000000000000 c -0.816568225856075 0.000000000000000 6.599140978486415 Atomic positions (fractional): 1 S 0.57792618491930 0.27527369427226 0.49896568261801 32.065 2 S 0.42207381508070 0.77527369427226 0.00103431738199 32.065 3 S 0.42207381508070 0.72472630572774 0.50103431738199 32.065 4 S 0.57792618491930 0.22472630572774 0.99896568261801 32.065 5 S 0.90297439235159 0.61008828456813 0.21984632782453 32.065 6 S 0.90297439235159 0.88991171543187 0.71984632782453 32.065 7 S 0.09702560764841 0.38991171543187 0.78015367217547 32.065 8 S 0.09702560764841 0.11008828456813 0.28015367217547 32.065 9 Cu 0.92509861459553 0.16326245835589 0.94984472287376 63.546 10 Cu 0.07490138540447 0.83673754164411 0.05015527712624 63.546 11 Cu 0.07490138540447 0.66326245835589 0.55015527712624 63.546 12 Cu 0.92509861459553 0.33673754164411 0.44984472287376 63.546 13 Tb 0.69245918396047 0.95205118320854 0.30161677210622 158.925 14 Tb 0.30754081603953 0.45205118320854 0.19838322789378 158.925 15 Tb 0.30754081603953 0.04794881679145 0.69838322789378 158.925 16 Tb 0.69245918396047 0.54794881679146 0.80161677210622 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.485512320556284 0.000000000000000 0.000000000000000 b 0.000000000000000 13.870608300000004 0.000000000000000 c -1.633136451712150 0.000000000000000 13.198281956972830 Atomic positions (fractional): 1 S 0.28896309245965 0.13763684713613 0.24948284130901 32.065 > 1 2 S 0.78896309245965 0.13763684713613 0.24948284130901 32.065 > 1 3 S 0.28896309245965 0.63763684713613 0.24948284130901 32.065 > 1 4 S 0.78896309245965 0.63763684713613 0.24948284130901 32.065 > 1 5 S 0.28896309245965 0.13763684713613 0.74948284130901 32.065 > 1 6 S 0.78896309245965 0.13763684713613 0.74948284130901 32.065 > 1 7 S 0.28896309245965 0.63763684713613 0.74948284130901 32.065 > 1 8 S 0.78896309245965 0.63763684713613 0.74948284130901 32.065 > 1 9 S 0.21103690754035 0.38763684713613 0.00051715869099 32.065 > 9 10 S 0.71103690754035 0.38763684713613 0.00051715869099 32.065 > 9 11 S 0.21103690754035 0.88763684713613 0.00051715869099 32.065 > 9 12 S 0.71103690754035 0.88763684713613 0.00051715869099 32.065 > 9 13 S 0.21103690754035 0.38763684713613 0.50051715869099 32.065 > 9 14 S 0.71103690754035 0.38763684713613 0.50051715869099 32.065 > 9 15 S 0.21103690754035 0.88763684713613 0.50051715869099 32.065 > 9 16 S 0.71103690754035 0.88763684713613 0.50051715869099 32.065 > 9 17 S 0.21103690754035 0.36236315286387 0.25051715869099 32.065 > 17 18 S 0.71103690754035 0.36236315286387 0.25051715869099 32.065 > 17 19 S 0.21103690754035 0.86236315286387 0.25051715869099 32.065 > 17 20 S 0.71103690754035 0.86236315286387 0.25051715869099 32.065 > 17 21 S 0.21103690754035 0.36236315286387 0.75051715869099 32.065 > 17 22 S 0.71103690754035 0.36236315286387 0.75051715869099 32.065 > 17 23 S 0.21103690754035 0.86236315286387 0.75051715869099 32.065 > 17 24 S 0.71103690754035 0.86236315286387 0.75051715869099 32.065 > 17 25 S 0.28896309245965 0.11236315286387 0.49948284130901 32.065 > 25 26 S 0.78896309245965 0.11236315286387 0.49948284130901 32.065 > 25 27 S 0.28896309245965 0.61236315286387 0.49948284130901 32.065 > 25 28 S 0.78896309245965 0.61236315286387 0.49948284130901 32.065 > 25 29 S 0.28896309245965 0.11236315286387 0.99948284130901 32.065 > 25 30 S 0.78896309245965 0.11236315286387 0.99948284130901 32.065 > 25 31 S 0.28896309245965 0.61236315286387 0.99948284130901 32.065 > 25 32 S 0.78896309245965 0.61236315286387 0.99948284130901 32.065 > 25 33 S 0.45148719617580 0.30504414228407 0.10992316391226 32.065 > 33 34 S 0.95148719617580 0.30504414228407 0.10992316391226 32.065 > 33 35 S 0.45148719617580 0.80504414228407 0.10992316391226 32.065 > 33 36 S 0.95148719617580 0.80504414228407 0.10992316391226 32.065 > 33 37 S 0.45148719617580 0.30504414228407 0.60992316391226 32.065 > 33 38 S 0.95148719617580 0.30504414228407 0.60992316391226 32.065 > 33 39 S 0.45148719617580 0.80504414228407 0.60992316391226 32.065 > 33 40 S 0.95148719617580 0.80504414228407 0.60992316391226 32.065 > 33 41 S 0.45148719617580 0.44495585771593 0.35992316391226 32.065 > 41 42 S 0.95148719617580 0.44495585771593 0.35992316391226 32.065 > 41 43 S 0.45148719617580 0.94495585771593 0.35992316391226 32.065 > 41 44 S 0.95148719617580 0.94495585771593 0.35992316391226 32.065 > 41 45 S 0.45148719617580 0.44495585771593 0.85992316391226 32.065 > 41 46 S 0.95148719617580 0.44495585771593 0.85992316391226 32.065 > 41 47 S 0.45148719617580 0.94495585771593 0.85992316391226 32.065 > 41 48 S 0.95148719617580 0.94495585771593 0.85992316391226 32.065 > 41 49 S 0.04851280382421 0.19495585771593 0.39007683608774 32.065 > 49 50 S 0.54851280382420 0.19495585771593 0.39007683608774 32.065 > 49 51 S 0.04851280382421 0.69495585771593 0.39007683608774 32.065 > 49 52 S 0.54851280382420 0.69495585771593 0.39007683608774 32.065 > 49 53 S 0.04851280382421 0.19495585771593 0.89007683608774 32.065 > 49 54 S 0.54851280382420 0.19495585771593 0.89007683608774 32.065 > 49 55 S 0.04851280382421 0.69495585771593 0.89007683608774 32.065 > 49 56 S 0.54851280382420 0.69495585771593 0.89007683608774 32.065 > 49 57 S 0.04851280382421 0.05504414228407 0.14007683608774 32.065 > 57 58 S 0.54851280382420 0.05504414228407 0.14007683608774 32.065 > 57 59 S 0.04851280382421 0.55504414228407 0.14007683608774 32.065 > 57 60 S 0.54851280382420 0.55504414228407 0.14007683608774 32.065 > 57 61 S 0.04851280382421 0.05504414228407 0.64007683608774 32.065 > 57 62 S 0.54851280382420 0.05504414228407 0.64007683608774 32.065 > 57 63 S 0.04851280382421 0.55504414228407 0.64007683608774 32.065 > 57 64 S 0.54851280382420 0.55504414228407 0.64007683608774 32.065 > 57 65 Cu 0.46254930729776 0.08163122917794 0.47492236143688 63.546 > 65 66 Cu 0.96254930729776 0.08163122917794 0.47492236143688 63.546 > 65 67 Cu 0.46254930729776 0.58163122917794 0.47492236143688 63.546 > 65 68 Cu 0.96254930729776 0.58163122917794 0.47492236143688 63.546 > 65 69 Cu 0.46254930729776 0.08163122917794 0.97492236143688 63.546 > 65 70 Cu 0.96254930729776 0.08163122917794 0.97492236143688 63.546 > 65 71 Cu 0.46254930729776 0.58163122917794 0.97492236143688 63.546 > 65 72 Cu 0.96254930729776 0.58163122917794 0.97492236143688 63.546 > 65 73 Cu 0.03745069270224 0.41836877082206 0.02507763856312 63.546 > 73 74 Cu 0.53745069270224 0.41836877082206 0.02507763856312 63.546 > 73 75 Cu 0.03745069270224 0.91836877082206 0.02507763856312 63.546 > 73 76 Cu 0.53745069270224 0.91836877082206 0.02507763856312 63.546 > 73 77 Cu 0.03745069270224 0.41836877082206 0.52507763856312 63.546 > 73 78 Cu 0.53745069270224 0.41836877082206 0.52507763856312 63.546 > 73 79 Cu 0.03745069270224 0.91836877082206 0.52507763856312 63.546 > 73 80 Cu 0.53745069270224 0.91836877082206 0.52507763856312 63.546 > 73 81 Cu 0.03745069270224 0.33163122917794 0.27507763856312 63.546 > 81 82 Cu 0.53745069270224 0.33163122917794 0.27507763856312 63.546 > 81 83 Cu 0.03745069270224 0.83163122917794 0.27507763856312 63.546 > 81 84 Cu 0.53745069270224 0.83163122917794 0.27507763856312 63.546 > 81 85 Cu 0.03745069270224 0.33163122917794 0.77507763856312 63.546 > 81 86 Cu 0.53745069270224 0.33163122917794 0.77507763856312 63.546 > 81 87 Cu 0.03745069270224 0.83163122917794 0.77507763856312 63.546 > 81 88 Cu 0.53745069270224 0.83163122917794 0.77507763856312 63.546 > 81 89 Cu 0.46254930729776 0.16836877082206 0.22492236143688 63.546 > 89 90 Cu 0.96254930729776 0.16836877082206 0.22492236143688 63.546 > 89 91 Cu 0.46254930729776 0.66836877082206 0.22492236143688 63.546 > 89 92 Cu 0.96254930729776 0.66836877082206 0.22492236143688 63.546 > 89 93 Cu 0.46254930729776 0.16836877082206 0.72492236143688 63.546 > 89 94 Cu 0.96254930729776 0.16836877082206 0.72492236143688 63.546 > 89 95 Cu 0.46254930729776 0.66836877082206 0.72492236143688 63.546 > 89 96 Cu 0.96254930729776 0.66836877082206 0.72492236143688 63.546 > 89 97 Tb 0.34622959198024 0.47602559160427 0.15080838605311 158.925 > 97 98 Tb 0.84622959198023 0.47602559160427 0.15080838605311 158.925 > 97 99 Tb 0.34622959198024 0.97602559160427 0.15080838605311 158.925 > 97 100 Tb 0.84622959198023 0.97602559160427 0.15080838605311 158.925 > 97 101 Tb 0.34622959198024 0.47602559160427 0.65080838605311 158.925 > 97 102 Tb 0.84622959198023 0.47602559160427 0.65080838605311 158.925 > 97 103 Tb 0.34622959198024 0.97602559160427 0.65080838605311 158.925 > 97 104 Tb 0.84622959198023 0.97602559160427 0.65080838605311 158.925 > 97 105 Tb 0.15377040801976 0.22602559160427 0.09919161394689 158.925 > 105 106 Tb 0.65377040801977 0.22602559160427 0.09919161394689 158.925 > 105 107 Tb 0.15377040801976 0.72602559160427 0.09919161394689 158.925 > 105 108 Tb 0.65377040801977 0.72602559160427 0.09919161394689 158.925 > 105 109 Tb 0.15377040801976 0.22602559160427 0.59919161394689 158.925 > 105 110 Tb 0.65377040801977 0.22602559160427 0.59919161394689 158.925 > 105 111 Tb 0.15377040801976 0.72602559160427 0.59919161394689 158.925 > 105 112 Tb 0.65377040801977 0.72602559160427 0.59919161394689 158.925 > 105 113 Tb 0.15377040801976 0.02397440839573 0.34919161394689 158.925 > 113 114 Tb 0.65377040801977 0.02397440839573 0.34919161394689 158.925 > 113 115 Tb 0.15377040801976 0.52397440839573 0.34919161394689 158.925 > 113 116 Tb 0.65377040801977 0.52397440839573 0.34919161394689 158.925 > 113 117 Tb 0.15377040801976 0.02397440839573 0.84919161394689 158.925 > 113 118 Tb 0.65377040801977 0.02397440839573 0.84919161394689 158.925 > 113 119 Tb 0.15377040801976 0.52397440839573 0.84919161394689 158.925 > 113 120 Tb 0.65377040801977 0.52397440839573 0.84919161394689 158.925 > 113 121 Tb 0.34622959198024 0.27397440839573 0.40080838605311 158.925 > 121 122 Tb 0.84622959198023 0.27397440839573 0.40080838605311 158.925 > 121 123 Tb 0.34622959198024 0.77397440839573 0.40080838605311 158.925 > 121 124 Tb 0.84622959198023 0.77397440839573 0.40080838605311 158.925 > 121 125 Tb 0.34622959198024 0.27397440839573 0.90080838605311 158.925 > 121 126 Tb 0.84622959198023 0.27397440839573 0.90080838605311 158.925 > 121 127 Tb 0.34622959198024 0.77397440839573 0.90080838605311 158.925 > 121 128 Tb 0.84622959198023 0.77397440839573 0.90080838605311 158.925 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.6496228 0.0000000 0.1797473 0.0000000 10.7875891 0.0000000 0.1797466 0.0000000 10.9584973 -------------------------- Born effective charges -------------------------- 1 S -2.2796652 -0.1061597 0.1971596 -0.0576022 -2.8084202 -0.1669295 -0.0166182 -0.2523203 -2.2835921 2 S -2.2796652 0.1061597 0.1971596 0.0576022 -2.8084202 0.1669295 -0.0166182 0.2523203 -2.2835921 3 S -2.2796652 -0.1061597 0.1971596 -0.0576022 -2.8084202 -0.1669295 -0.0166182 -0.2523203 -2.2835921 4 S -2.2796652 0.1061597 0.1971596 0.0576022 -2.8084202 0.1669295 -0.0166182 0.2523203 -2.2835921 5 S -2.1704452 0.4269844 -0.3006409 0.6237988 -2.3992783 -0.1187077 -0.1186474 -0.2036992 -2.6093265 6 S -2.1704452 -0.4269844 -0.3006409 -0.6237988 -2.3992783 0.1187077 -0.1186474 0.2036992 -2.6093265 7 S -2.1704452 0.4269844 -0.3006409 0.6237988 -2.3992783 -0.1187077 -0.1186474 -0.2036992 -2.6093265 8 S -2.1704452 -0.4269844 -0.3006409 -0.6237988 -2.3992783 0.1187077 -0.1186474 0.2036992 -2.6093265 9 Cu 0.3389584 0.0318952 0.1037812 0.0200405 0.6121701 0.2558659 0.0376218 0.2233346 0.9446701 10 Cu 0.3389584 0.0318952 0.1037812 0.0200405 0.6121701 0.2558659 0.0376218 0.2233346 0.9446701 11 Cu 0.3389584 -0.0318952 0.1037812 -0.0200405 0.6121701 -0.2558659 0.0376218 -0.2233346 0.9446701 12 Cu 0.3389584 -0.0318952 0.1037812 -0.0200405 0.6121701 -0.2558659 0.0376218 -0.2233346 0.9446701 13 Tb 4.1111520 0.2122492 -0.0002999 0.1704440 4.5955284 -0.0054436 0.0976437 -0.2846834 3.9482485 14 Tb 4.1111520 -0.2122492 -0.0002999 -0.1704440 4.5955284 0.0054436 0.0976437 0.2846834 3.9482485 15 Tb 4.1111520 0.2122492 -0.0002999 0.1704440 4.5955284 -0.0054436 0.0976437 -0.2846834 3.9482485 16 Tb 4.1111520 -0.2122492 -0.0002999 -0.1704440 4.5955284 0.0054436 0.0976437 0.2846834 3.9482485 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 33, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 97, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (zx) 0.00000002 (zx) 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 2026-01-07 21:02:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:02:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.242756160278142 0.000000000000000 0.000000000000000 b 0.000000000000000 6.935304150000002 0.000000000000000 c -0.816568225856075 0.000000000000000 6.599140978486415 Atomic positions (fractional): 1 S 0.57792618491930 0.27527369427226 0.49896568261801 32.065 2 S 0.42207381508070 0.77527369427226 0.00103431738199 32.065 3 S 0.42207381508070 0.72472630572774 0.50103431738199 32.065 4 S 0.57792618491930 0.22472630572774 0.99896568261801 32.065 5 S 0.90297439235159 0.61008828456813 0.21984632782453 32.065 6 S 0.90297439235159 0.88991171543187 0.71984632782453 32.065 7 S 0.09702560764841 0.38991171543187 0.78015367217547 32.065 8 S 0.09702560764841 0.11008828456813 0.28015367217547 32.065 9 Cu 0.92509861459553 0.16326245835589 0.94984472287376 63.546 10 Cu 0.07490138540447 0.83673754164411 0.05015527712624 63.546 11 Cu 0.07490138540447 0.66326245835589 0.55015527712624 63.546 12 Cu 0.92509861459553 0.33673754164411 0.44984472287376 63.546 13 Tb 0.69245918396047 0.95205118320854 0.30161677210622 158.925 14 Tb 0.30754081603953 0.45205118320854 0.19838322789378 158.925 15 Tb 0.30754081603953 0.04794881679145 0.69838322789378 158.925 16 Tb 0.69245918396047 0.54794881679146 0.80161677210622 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.485512320556284 0.000000000000000 0.000000000000000 b 0.000000000000000 13.870608300000004 0.000000000000000 c -1.633136451712150 0.000000000000000 13.198281956972830 Atomic positions (fractional): 1 S 0.28896309245965 0.13763684713613 0.24948284130901 32.065 > 1 2 S 0.78896309245965 0.13763684713613 0.24948284130901 32.065 > 1 3 S 0.28896309245965 0.63763684713613 0.24948284130901 32.065 > 1 4 S 0.78896309245965 0.63763684713613 0.24948284130901 32.065 > 1 5 S 0.28896309245965 0.13763684713613 0.74948284130901 32.065 > 1 6 S 0.78896309245965 0.13763684713613 0.74948284130901 32.065 > 1 7 S 0.28896309245965 0.63763684713613 0.74948284130901 32.065 > 1 8 S 0.78896309245965 0.63763684713613 0.74948284130901 32.065 > 1 9 S 0.21103690754035 0.38763684713613 0.00051715869099 32.065 > 9 10 S 0.71103690754035 0.38763684713613 0.00051715869099 32.065 > 9 11 S 0.21103690754035 0.88763684713613 0.00051715869099 32.065 > 9 12 S 0.71103690754035 0.88763684713613 0.00051715869099 32.065 > 9 13 S 0.21103690754035 0.38763684713613 0.50051715869099 32.065 > 9 14 S 0.71103690754035 0.38763684713613 0.50051715869099 32.065 > 9 15 S 0.21103690754035 0.88763684713613 0.50051715869099 32.065 > 9 16 S 0.71103690754035 0.88763684713613 0.50051715869099 32.065 > 9 17 S 0.21103690754035 0.36236315286387 0.25051715869099 32.065 > 17 18 S 0.71103690754035 0.36236315286387 0.25051715869099 32.065 > 17 19 S 0.21103690754035 0.86236315286387 0.25051715869099 32.065 > 17 20 S 0.71103690754035 0.86236315286387 0.25051715869099 32.065 > 17 21 S 0.21103690754035 0.36236315286387 0.75051715869099 32.065 > 17 22 S 0.71103690754035 0.36236315286387 0.75051715869099 32.065 > 17 23 S 0.21103690754035 0.86236315286387 0.75051715869099 32.065 > 17 24 S 0.71103690754035 0.86236315286387 0.75051715869099 32.065 > 17 25 S 0.28896309245965 0.11236315286387 0.49948284130901 32.065 > 25 26 S 0.78896309245965 0.11236315286387 0.49948284130901 32.065 > 25 27 S 0.28896309245965 0.61236315286387 0.49948284130901 32.065 > 25 28 S 0.78896309245965 0.61236315286387 0.49948284130901 32.065 > 25 29 S 0.28896309245965 0.11236315286387 0.99948284130901 32.065 > 25 30 S 0.78896309245965 0.11236315286387 0.99948284130901 32.065 > 25 31 S 0.28896309245965 0.61236315286387 0.99948284130901 32.065 > 25 32 S 0.78896309245965 0.61236315286387 0.99948284130901 32.065 > 25 33 S 0.45148719617580 0.30504414228407 0.10992316391226 32.065 > 33 34 S 0.95148719617580 0.30504414228407 0.10992316391226 32.065 > 33 35 S 0.45148719617580 0.80504414228407 0.10992316391226 32.065 > 33 36 S 0.95148719617580 0.80504414228407 0.10992316391226 32.065 > 33 37 S 0.45148719617580 0.30504414228407 0.60992316391226 32.065 > 33 38 S 0.95148719617580 0.30504414228407 0.60992316391226 32.065 > 33 39 S 0.45148719617580 0.80504414228407 0.60992316391226 32.065 > 33 40 S 0.95148719617580 0.80504414228407 0.60992316391226 32.065 > 33 41 S 0.45148719617580 0.44495585771593 0.35992316391226 32.065 > 41 42 S 0.95148719617580 0.44495585771593 0.35992316391226 32.065 > 41 43 S 0.45148719617580 0.94495585771593 0.35992316391226 32.065 > 41 44 S 0.95148719617580 0.94495585771593 0.35992316391226 32.065 > 41 45 S 0.45148719617580 0.44495585771593 0.85992316391226 32.065 > 41 46 S 0.95148719617580 0.44495585771593 0.85992316391226 32.065 > 41 47 S 0.45148719617580 0.94495585771593 0.85992316391226 32.065 > 41 48 S 0.95148719617580 0.94495585771593 0.85992316391226 32.065 > 41 49 S 0.04851280382421 0.19495585771593 0.39007683608774 32.065 > 49 50 S 0.54851280382420 0.19495585771593 0.39007683608774 32.065 > 49 51 S 0.04851280382421 0.69495585771593 0.39007683608774 32.065 > 49 52 S 0.54851280382420 0.69495585771593 0.39007683608774 32.065 > 49 53 S 0.04851280382421 0.19495585771593 0.89007683608774 32.065 > 49 54 S 0.54851280382420 0.19495585771593 0.89007683608774 32.065 > 49 55 S 0.04851280382421 0.69495585771593 0.89007683608774 32.065 > 49 56 S 0.54851280382420 0.69495585771593 0.89007683608774 32.065 > 49 57 S 0.04851280382421 0.05504414228407 0.14007683608774 32.065 > 57 58 S 0.54851280382420 0.05504414228407 0.14007683608774 32.065 > 57 59 S 0.04851280382421 0.55504414228407 0.14007683608774 32.065 > 57 60 S 0.54851280382420 0.55504414228407 0.14007683608774 32.065 > 57 61 S 0.04851280382421 0.05504414228407 0.64007683608774 32.065 > 57 62 S 0.54851280382420 0.05504414228407 0.64007683608774 32.065 > 57 63 S 0.04851280382421 0.55504414228407 0.64007683608774 32.065 > 57 64 S 0.54851280382420 0.55504414228407 0.64007683608774 32.065 > 57 65 Cu 0.46254930729776 0.08163122917794 0.47492236143688 63.546 > 65 66 Cu 0.96254930729776 0.08163122917794 0.47492236143688 63.546 > 65 67 Cu 0.46254930729776 0.58163122917794 0.47492236143688 63.546 > 65 68 Cu 0.96254930729776 0.58163122917794 0.47492236143688 63.546 > 65 69 Cu 0.46254930729776 0.08163122917794 0.97492236143688 63.546 > 65 70 Cu 0.96254930729776 0.08163122917794 0.97492236143688 63.546 > 65 71 Cu 0.46254930729776 0.58163122917794 0.97492236143688 63.546 > 65 72 Cu 0.96254930729776 0.58163122917794 0.97492236143688 63.546 > 65 73 Cu 0.03745069270224 0.41836877082206 0.02507763856312 63.546 > 73 74 Cu 0.53745069270224 0.41836877082206 0.02507763856312 63.546 > 73 75 Cu 0.03745069270224 0.91836877082206 0.02507763856312 63.546 > 73 76 Cu 0.53745069270224 0.91836877082206 0.02507763856312 63.546 > 73 77 Cu 0.03745069270224 0.41836877082206 0.52507763856312 63.546 > 73 78 Cu 0.53745069270224 0.41836877082206 0.52507763856312 63.546 > 73 79 Cu 0.03745069270224 0.91836877082206 0.52507763856312 63.546 > 73 80 Cu 0.53745069270224 0.91836877082206 0.52507763856312 63.546 > 73 81 Cu 0.03745069270224 0.33163122917794 0.27507763856312 63.546 > 81 82 Cu 0.53745069270224 0.33163122917794 0.27507763856312 63.546 > 81 83 Cu 0.03745069270224 0.83163122917794 0.27507763856312 63.546 > 81 84 Cu 0.53745069270224 0.83163122917794 0.27507763856312 63.546 > 81 85 Cu 0.03745069270224 0.33163122917794 0.77507763856312 63.546 > 81 86 Cu 0.53745069270224 0.33163122917794 0.77507763856312 63.546 > 81 87 Cu 0.03745069270224 0.83163122917794 0.77507763856312 63.546 > 81 88 Cu 0.53745069270224 0.83163122917794 0.77507763856312 63.546 > 81 89 Cu 0.46254930729776 0.16836877082206 0.22492236143688 63.546 > 89 90 Cu 0.96254930729776 0.16836877082206 0.22492236143688 63.546 > 89 91 Cu 0.46254930729776 0.66836877082206 0.22492236143688 63.546 > 89 92 Cu 0.96254930729776 0.66836877082206 0.22492236143688 63.546 > 89 93 Cu 0.46254930729776 0.16836877082206 0.72492236143688 63.546 > 89 94 Cu 0.96254930729776 0.16836877082206 0.72492236143688 63.546 > 89 95 Cu 0.46254930729776 0.66836877082206 0.72492236143688 63.546 > 89 96 Cu 0.96254930729776 0.66836877082206 0.72492236143688 63.546 > 89 97 Tb 0.34622959198024 0.47602559160427 0.15080838605311 158.925 > 97 98 Tb 0.84622959198023 0.47602559160427 0.15080838605311 158.925 > 97 99 Tb 0.34622959198024 0.97602559160427 0.15080838605311 158.925 > 97 100 Tb 0.84622959198023 0.97602559160427 0.15080838605311 158.925 > 97 101 Tb 0.34622959198024 0.47602559160427 0.65080838605311 158.925 > 97 102 Tb 0.84622959198023 0.47602559160427 0.65080838605311 158.925 > 97 103 Tb 0.34622959198024 0.97602559160427 0.65080838605311 158.925 > 97 104 Tb 0.84622959198023 0.97602559160427 0.65080838605311 158.925 > 97 105 Tb 0.15377040801976 0.22602559160427 0.09919161394689 158.925 > 105 106 Tb 0.65377040801977 0.22602559160427 0.09919161394689 158.925 > 105 107 Tb 0.15377040801976 0.72602559160427 0.09919161394689 158.925 > 105 108 Tb 0.65377040801977 0.72602559160427 0.09919161394689 158.925 > 105 109 Tb 0.15377040801976 0.22602559160427 0.59919161394689 158.925 > 105 110 Tb 0.65377040801977 0.22602559160427 0.59919161394689 158.925 > 105 111 Tb 0.15377040801976 0.72602559160427 0.59919161394689 158.925 > 105 112 Tb 0.65377040801977 0.72602559160427 0.59919161394689 158.925 > 105 113 Tb 0.15377040801976 0.02397440839573 0.34919161394689 158.925 > 113 114 Tb 0.65377040801977 0.02397440839573 0.34919161394689 158.925 > 113 115 Tb 0.15377040801976 0.52397440839573 0.34919161394689 158.925 > 113 116 Tb 0.65377040801977 0.52397440839573 0.34919161394689 158.925 > 113 117 Tb 0.15377040801976 0.02397440839573 0.84919161394689 158.925 > 113 118 Tb 0.65377040801977 0.02397440839573 0.84919161394689 158.925 > 113 119 Tb 0.15377040801976 0.52397440839573 0.84919161394689 158.925 > 113 120 Tb 0.65377040801977 0.52397440839573 0.84919161394689 158.925 > 113 121 Tb 0.34622959198024 0.27397440839573 0.40080838605311 158.925 > 121 122 Tb 0.84622959198023 0.27397440839573 0.40080838605311 158.925 > 121 123 Tb 0.34622959198024 0.77397440839573 0.40080838605311 158.925 > 121 124 Tb 0.84622959198023 0.77397440839573 0.40080838605311 158.925 > 121 125 Tb 0.34622959198024 0.27397440839573 0.90080838605311 158.925 > 121 126 Tb 0.84622959198023 0.27397440839573 0.90080838605311 158.925 > 121 127 Tb 0.34622959198024 0.77397440839573 0.90080838605311 158.925 > 121 128 Tb 0.84622959198023 0.77397440839573 0.90080838605311 158.925 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.6496228 0.0000000 0.1797473 0.0000000 10.7875891 0.0000000 0.1797466 0.0000000 10.9584973 -------------------------- Born effective charges -------------------------- 1 S -2.2796652 -0.1061597 0.1971596 -0.0576022 -2.8084202 -0.1669295 -0.0166182 -0.2523203 -2.2835921 2 S -2.2796652 0.1061597 0.1971596 0.0576022 -2.8084202 0.1669295 -0.0166182 0.2523203 -2.2835921 3 S -2.2796652 -0.1061597 0.1971596 -0.0576022 -2.8084202 -0.1669295 -0.0166182 -0.2523203 -2.2835921 4 S -2.2796652 0.1061597 0.1971596 0.0576022 -2.8084202 0.1669295 -0.0166182 0.2523203 -2.2835921 5 S -2.1704452 0.4269844 -0.3006409 0.6237988 -2.3992783 -0.1187077 -0.1186474 -0.2036992 -2.6093265 6 S -2.1704452 -0.4269844 -0.3006409 -0.6237988 -2.3992783 0.1187077 -0.1186474 0.2036992 -2.6093265 7 S -2.1704452 0.4269844 -0.3006409 0.6237988 -2.3992783 -0.1187077 -0.1186474 -0.2036992 -2.6093265 8 S -2.1704452 -0.4269844 -0.3006409 -0.6237988 -2.3992783 0.1187077 -0.1186474 0.2036992 -2.6093265 9 Cu 0.3389584 0.0318952 0.1037812 0.0200405 0.6121701 0.2558659 0.0376218 0.2233346 0.9446701 10 Cu 0.3389584 0.0318952 0.1037812 0.0200405 0.6121701 0.2558659 0.0376218 0.2233346 0.9446701 11 Cu 0.3389584 -0.0318952 0.1037812 -0.0200405 0.6121701 -0.2558659 0.0376218 -0.2233346 0.9446701 12 Cu 0.3389584 -0.0318952 0.1037812 -0.0200405 0.6121701 -0.2558659 0.0376218 -0.2233346 0.9446701 13 Tb 4.1111520 0.2122492 -0.0002999 0.1704440 4.5955284 -0.0054436 0.0976437 -0.2846834 3.9482485 14 Tb 4.1111520 -0.2122492 -0.0002999 -0.1704440 4.5955284 0.0054436 0.0976437 0.2846834 3.9482485 15 Tb 4.1111520 0.2122492 -0.0002999 0.1704440 4.5955284 -0.0054436 0.0976437 -0.2846834 3.9482485 16 Tb 4.1111520 -0.2122492 -0.0002999 -0.1704440 4.5955284 0.0054436 0.0976437 0.2846834 3.9482485 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- 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 ... [ 8 7 8 ] 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: 0.63, Number of G-points: 299, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 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 2.084 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.485 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.618 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.452 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.854 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.191 ( 0.000 0.000 0.000) 0.000 7.354 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.829 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.160 ( 0.000 0.000 0.000) 0.000 9.426 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.477 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 23.713 0.000 -1.019) 23.735 0.566 ( 27.060 0.000 1.665) 27.111 0.850 ( 39.871 0.000 10.959) 41.349 2.102 ( 1.750 0.000 -0.570) 1.841 2.119 ( -6.985 0.000 -2.311) 7.357 2.320 ( 2.405 0.000 1.667) 2.926 2.538 ( 0.040 0.000 0.071) 0.082 2.557 ( -5.440 0.000 -6.032) 8.123 2.597 ( -0.918 0.000 0.981) 1.343 2.727 ( 1.189 0.000 3.153) 3.370 2.803 ( 0.030 0.000 5.243) 5.243 2.950 ( -3.764 0.000 2.973) 4.796 2.951 ( 2.558 0.000 1.772) 3.112 3.006 ( -1.214 0.000 -2.508) 2.787 3.350 ( 3.626 0.000 1.394) 3.885 3.411 ( -6.326 0.000 1.356) 6.469 3.488 ( -3.151 0.000 -1.153) 3.355 3.701 ( 0.255 0.000 -1.528) 1.550 3.825 ( -5.142 0.000 0.099) 5.143 3.952 ( -0.452 0.000 -8.320) 8.332 4.137 ( 7.399 0.000 0.883) 7.452 4.553 ( -8.925 0.000 -1.145) 8.999 4.843 ( 3.520 0.000 -2.803) 4.500 4.959 ( -1.273 0.000 -1.957) 2.334 6.028 ( -3.975 0.000 27.057) 27.348 6.116 ( 1.917 0.000 -0.860) 2.101 6.506 ( 4.690 0.000 1.157) 4.831 6.629 ( -0.915 0.000 0.208) 0.938 6.856 ( 0.131 0.000 0.100) 0.165 7.083 ( -0.688 0.000 0.193) 0.714 7.136 ( 0.767 0.000 -1.500) 1.684 7.385 ( 2.840 0.000 2.149) 3.561 7.578 ( 1.125 0.000 1.968) 2.267 7.732 ( -8.960 0.000 -6.809) 11.254 7.764 ( -7.533 0.000 -0.945) 7.592 8.083 ( 1.444 0.000 0.679) 1.595 8.095 ( 1.564 0.000 -6.450) 6.637 8.284 ( 1.108 0.000 -3.335) 3.514 8.501 ( 0.758 0.000 1.074) 1.314 8.730 ( -6.494 0.000 -1.535) 6.673 8.983 ( 4.256 0.000 2.238) 4.809 9.083 ( 4.512 0.000 1.500) 4.755 9.085 ( -3.232 0.000 7.651) 8.306 9.173 ( 2.261 0.000 -0.107) 2.263 9.381 ( -1.809 0.000 -0.877) 2.010 9.462 ( -1.241 0.000 -1.541) 1.979 9.491 ( 2.599 0.000 1.438) 2.970 9.994 ( -0.334 0.000 -6.606) 6.615 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 21.706 0.000 -0.178) 21.706 1.071 ( 22.410 0.000 1.858) 22.487 1.620 ( 33.106 0.000 10.566) 34.752 1.958 ( -8.241 0.000 -2.317) 8.561 2.139 ( 1.764 0.000 -1.882) 2.580 2.353 ( 0.619 0.000 1.306) 1.445 2.424 ( -5.513 0.000 -6.541) 8.554 2.541 ( 0.316 0.000 0.080) 0.326 2.584 ( -0.474 0.000 2.333) 2.380 2.742 ( 0.703 0.000 -0.865) 1.114 2.818 ( -0.010 0.000 3.377) 3.377 2.847 ( -6.965 0.000 3.636) 7.857 2.948 ( -3.763 0.000 -4.641) 5.975 3.044 ( 6.210 0.000 3.149) 6.963 3.280 ( -6.605 0.000 1.620) 6.801 3.437 ( -1.092 0.000 -1.780) 2.088 3.447 ( 5.085 0.000 2.470) 5.653 3.682 ( -9.142 0.000 0.085) 9.143 3.700 ( -0.134 0.000 -1.410) 1.416 3.901 ( -2.838 0.000 -5.681) 6.351 4.290 ( 6.969 0.000 1.456) 7.119 4.340 ( -11.652 0.000 -0.948) 11.691 4.888 ( 1.394 0.000 -0.912) 1.666 4.918 ( -2.070 0.000 -3.032) 3.671 6.019 ( -1.630 0.000 11.004) 11.124 6.165 ( 3.078 0.000 -1.253) 3.323 6.592 ( 1.223 0.000 -4.180) 4.356 6.638 ( 3.538 0.000 6.486) 7.388 6.855 ( -0.273 0.000 -0.207) 0.343 7.066 ( -1.012 0.000 0.829) 1.308 7.149 ( 0.503 0.000 1.015) 1.133 7.458 ( -11.521 0.000 -5.620) 12.818 7.475 ( 5.151 0.000 3.595) 6.281 7.579 ( -8.646 0.000 -3.812) 9.449 7.673 ( 3.391 0.000 2.142) 4.011 8.112 ( 1.905 0.000 -9.105) 9.302 8.114 ( 0.279 0.000 2.424) 2.440 8.311 ( 1.673 0.000 3.143) 3.560 8.522 ( 0.774 0.000 1.699) 1.867 8.602 ( -4.844 0.000 -2.784) 5.587 9.017 ( -4.829 0.000 4.128) 6.353 9.036 ( 0.256 0.000 0.286) 0.384 9.125 ( 0.292 0.000 0.716) 0.774 9.278 ( 6.324 0.000 1.177) 6.433 9.366 ( 0.502 0.000 0.502) 0.710 9.426 ( -1.658 0.000 -2.135) 2.703 9.538 ( 1.752 0.000 1.085) 2.061 9.964 ( -1.291 0.000 -3.278) 3.523 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 17.400 0.000 0.707) 17.415 1.451 ( 14.480 0.000 2.383) 14.675 1.795 ( -7.025 0.000 -2.412) 7.427 2.024 ( -2.445 0.000 3.222) 4.045 2.216 ( 7.511 0.000 2.780) 8.009 2.356 ( -0.418 0.000 0.559) 0.698 2.397 ( 8.214 0.000 -5.516) 9.894 2.553 ( 0.917 0.000 0.159) 0.931 2.604 ( 1.998 0.000 3.700) 4.205 2.719 ( -5.716 0.000 1.477) 5.904 2.767 ( 1.377 0.000 -0.271) 1.403 2.836 ( -5.946 0.000 -4.552) 7.488 2.849 ( 5.600 0.000 -0.388) 5.613 3.169 ( -4.377 0.000 0.619) 4.420 3.202 ( 7.969 0.000 3.658) 8.768 3.432 ( 0.469 0.000 -0.821) 0.946 3.452 ( -13.594 0.000 0.013) 13.594 3.546 ( 2.917 0.000 3.233) 4.354 3.690 ( -0.451 0.000 -0.946) 1.047 3.816 ( -4.004 0.000 -4.765) 6.224 4.112 ( -9.636 0.000 -1.000) 9.687 4.408 ( 4.209 0.000 1.367) 4.425 4.869 ( -1.832 0.000 -2.463) 3.070 4.900 ( 0.186 0.000 -0.351) 0.397 6.017 ( -0.574 0.000 4.533) 4.569 6.223 ( 2.558 0.000 -0.937) 2.724 6.584 ( -0.323 0.000 -1.068) 1.116 6.738 ( 4.015 0.000 3.068) 5.053 6.842 ( -1.005 0.000 -0.664) 1.205 7.047 ( -1.111 0.000 1.032) 1.516 7.158 ( 0.193 0.000 1.059) 1.076 7.247 ( -7.351 0.000 -3.908) 8.326 7.421 ( -5.529 0.000 -2.431) 6.040 7.587 ( 4.472 0.000 3.059) 5.418 7.780 ( 6.306 0.000 1.808) 6.560 8.067 ( -5.641 0.000 1.434) 5.821 8.123 ( 1.040 0.000 -5.926) 6.017 8.369 ( 3.336 0.000 2.246) 4.022 8.530 ( -0.646 0.000 1.433) 1.572 8.554 ( 0.450 0.000 -1.692) 1.751 8.925 ( -4.535 0.000 1.941) 4.933 9.008 ( -2.239 0.000 -0.673) 2.338 9.123 ( -0.301 0.000 0.180) 0.350 9.385 ( 3.935 0.000 -2.305) 4.560 9.392 ( -1.084 0.000 -1.435) 1.799 9.393 ( 1.214 0.000 3.941) 4.124 9.565 ( 0.748 0.000 0.583) 0.948 9.933 ( -1.053 0.000 -1.615) 1.928 ======================= Grid point 4 (5/136) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 0.000 -0.000) 0.000 1.657 ( -0.000 0.000 -0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.518 ( 0.000 0.000 -0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 -0.000) 0.000 2.663 ( 0.000 0.000 -0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 -0.000) 0.000 3.077 ( 0.000 0.000 -0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.161 ( -0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 -0.000) 0.000 4.004 ( 0.000 0.000 -0.000) 0.000 4.454 ( 0.000 0.000 -0.000) 0.000 4.845 ( 0.000 0.000 -0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 -0.000) 0.000 6.249 ( 0.000 0.000 -0.000) 0.000 6.580 ( 0.000 0.000 -0.000) 0.000 6.800 ( 0.000 0.000 -0.000) 0.000 6.813 ( 0.000 0.000 -0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 -0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.361 ( 0.000 0.000 -0.000) 0.000 7.641 ( 0.000 0.000 -0.000) 0.000 7.924 ( -0.000 0.000 -0.000) 0.000 7.928 ( 0.000 0.000 0.000) 0.000 8.126 ( 0.000 0.000 0.000) 0.000 8.424 ( -0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 8.567 ( 0.000 0.000 -0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 8.978 ( 0.000 0.000 -0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.379 ( 0.000 0.000 0.000) 0.000 9.409 ( 0.000 0.000 0.000) 0.000 9.425 ( 0.000 0.000 -0.000) 0.000 9.573 ( 0.000 0.000 -0.000) 0.000 9.920 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/136) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.000 26.021 0.000) 26.021 0.607 ( 0.000 28.886 0.000) 28.886 1.066 ( 0.000 49.853 0.000) 49.853 2.100 ( 0.000 1.278 0.000) 1.278 2.232 ( 0.000 -2.273 0.000) 2.273 2.256 ( 0.000 2.343 0.000) 2.343 2.504 ( 0.000 -2.436 0.000) 2.436 2.561 ( 0.000 -5.059 0.000) 5.059 2.693 ( 0.000 2.609 0.000) 2.609 2.706 ( 0.000 2.898 0.000) 2.898 2.828 ( 0.000 5.053 0.000) 5.053 2.902 ( 0.000 -3.000 0.000) 3.000 2.955 ( 0.000 -2.433 0.000) 2.433 2.962 ( 0.000 -3.650 0.000) 3.650 3.319 ( 0.000 -0.068 0.000) 0.068 3.475 ( 0.000 -0.617 0.000) 0.617 3.553 ( 0.000 0.460 0.000) 0.460 3.645 ( 0.000 2.156 0.000) 2.156 3.705 ( 0.000 -3.656 0.000) 3.656 3.894 ( 0.000 0.503 0.000) 0.503 3.992 ( 0.000 -4.808 0.000) 4.808 4.623 ( 0.000 -10.755 0.000) 10.755 4.676 ( 0.000 0.760 0.000) 0.760 4.966 ( 0.000 -1.483 0.000) 1.483 5.957 ( 0.000 4.748 0.000) 4.748 6.502 ( 0.000 4.213 0.000) 4.213 6.667 ( 0.000 2.642 0.000) 2.642 6.743 ( 0.000 -1.654 0.000) 1.654 6.795 ( 0.000 -4.730 0.000) 4.730 7.101 ( 0.000 -0.901 0.000) 0.901 7.139 ( 0.000 -2.643 0.000) 2.643 7.338 ( 0.000 -0.867 0.000) 0.867 7.605 ( 0.000 3.528 0.000) 3.528 7.768 ( 0.000 2.436 0.000) 2.436 7.847 ( 0.000 0.210 0.000) 0.210 7.995 ( 0.000 -2.252 0.000) 2.252 8.203 ( 0.000 8.089 0.000) 8.089 8.455 ( 0.000 -2.004 0.000) 2.004 8.607 ( 0.000 3.449 0.000) 3.449 8.808 ( 0.000 -2.078 0.000) 2.078 8.930 ( 0.000 -6.002 0.000) 6.002 9.019 ( 0.000 -0.465 0.000) 0.465 9.065 ( 0.000 -0.576 0.000) 0.576 9.186 ( 0.000 1.380 0.000) 1.380 9.382 ( 0.000 -3.868 0.000) 3.868 9.407 ( 0.000 -2.525 0.000) 2.525 9.539 ( 0.000 4.025 0.000) 4.025 9.820 ( 0.000 0.771 0.000) 0.771 ======================= Grid point 10 (7/136) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 15.912 17.582 5.610) 24.368 0.741 ( 13.695 20.909 0.428) 24.999 1.359 ( 22.970 36.201 4.151) 43.074 2.096 ( -1.939 0.712 -0.709) 2.184 2.177 ( -1.362 3.943 -2.445) 4.836 2.298 ( 1.823 -1.810 1.662) 3.060 2.494 ( -1.298 -3.331 -0.584) 3.622 2.543 ( -1.080 -3.170 -0.475) 3.382 2.615 ( -3.995 2.546 -4.736) 6.698 2.746 ( 0.339 1.285 4.193) 4.398 2.842 ( 0.384 3.457 0.831) 3.576 2.902 ( -1.442 -3.990 3.379) 5.424 2.932 ( -1.646 -1.611 0.152) 2.308 2.977 ( 1.821 -1.631 -0.378) 2.473 3.324 ( 1.794 -1.858 0.824) 2.711 3.400 ( -6.692 -1.281 1.804) 7.048 3.517 ( -2.773 2.021 -1.734) 3.845 3.674 ( 0.098 -2.328 -1.643) 2.851 3.764 ( 3.662 -4.455 -0.925) 5.841 3.873 ( -1.245 -0.583 -1.893) 2.339 4.097 ( 7.859 -4.149 0.645) 8.910 4.521 ( -7.049 -3.889 -1.738) 8.236 4.751 ( 4.109 -4.773 1.097) 6.393 4.953 ( -1.224 -1.546 -0.872) 2.156 5.969 ( 0.819 3.406 2.796) 4.482 6.520 ( -10.779 10.097 6.292) 16.054 6.558 ( 2.188 5.371 -1.199) 5.922 6.670 ( -0.771 2.828 0.021) 2.932 6.809 ( 1.300 -2.712 1.143) 3.218 7.104 ( -1.477 -2.135 1.778) 3.147 7.110 ( -0.339 0.740 1.615) 1.809 7.361 ( 2.098 -1.586 1.059) 2.836 7.600 ( 0.410 2.761 0.854) 2.919 7.714 ( -6.158 -0.041 -4.967) 7.912 7.769 ( -7.094 0.511 -1.454) 7.259 8.028 ( 2.528 -2.624 0.057) 3.644 8.207 ( 0.903 7.585 -3.071) 8.233 8.414 ( -4.210 3.089 -5.553) 7.623 8.505 ( -2.373 3.705 1.329) 4.596 8.755 ( -6.192 1.059 -1.691) 6.506 8.906 ( 0.429 -6.852 1.729) 7.080 9.055 ( 0.676 0.243 1.925) 2.055 9.091 ( 5.431 -0.617 3.401) 6.438 9.202 ( 0.313 1.015 1.657) 1.968 9.338 ( -2.168 -3.448 0.166) 4.076 9.444 ( 1.067 -1.736 -0.283) 2.057 9.541 ( 0.506 3.612 -0.148) 3.650 9.896 ( 3.262 -4.913 -3.611) 6.915 ======================= Grid point 11 (8/136) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 17.917 12.411 -0.231) 21.797 1.126 ( 20.078 6.643 3.542) 21.443 1.821 ( 16.612 14.011 8.847) 23.464 1.998 ( -4.473 5.235 -1.647) 7.080 2.203 ( 2.614 5.645 -2.323) 6.640 2.333 ( 1.730 -1.440 0.737) 2.368 2.429 ( -4.521 -0.654 -4.113) 6.147 2.525 ( -0.605 -1.064 -1.353) 1.824 2.555 ( -0.093 -1.910 0.789) 2.068 2.742 ( -1.108 -1.122 0.876) 1.804 2.809 ( -4.680 -1.717 0.503) 5.010 2.861 ( -0.955 2.712 3.224) 4.320 2.910 ( -1.467 -1.851 -2.148) 3.193 3.048 ( 5.021 -0.220 1.481) 5.239 3.258 ( -6.347 -1.510 2.825) 7.109 3.379 ( 1.667 -3.486 -0.049) 3.865 3.486 ( 1.124 1.134 -1.291) 2.053 3.671 ( -0.592 -1.177 -1.520) 2.011 3.730 ( -5.048 3.325 0.452) 6.061 3.853 ( -0.964 -3.926 -3.459) 5.321 4.251 ( 6.558 -3.732 0.959) 7.606 4.348 ( -9.508 0.398 -1.378) 9.616 4.821 ( 2.592 -4.418 -0.341) 5.134 4.915 ( -2.101 -1.384 -1.470) 2.914 6.000 ( 1.331 2.027 3.394) 4.171 6.357 ( -4.842 10.804 1.855) 11.984 6.639 ( 2.425 4.021 -3.585) 5.908 6.681 ( 2.558 2.713 5.461) 6.613 6.839 ( 1.237 -0.023 0.971) 1.573 7.071 ( -2.038 0.168 2.549) 3.268 7.115 ( -0.013 -2.793 0.666) 2.872 7.405 ( -0.688 -1.946 -0.550) 2.136 7.524 ( -4.708 2.417 -2.245) 5.748 7.586 ( -8.366 0.724 -3.323) 9.031 7.674 ( 2.675 -0.098 2.441) 3.623 8.067 ( 0.817 -1.908 -1.225) 2.410 8.220 ( 1.178 6.775 -4.824) 8.400 8.352 ( -0.730 2.003 -0.005) 2.132 8.495 ( -0.558 -0.251 2.244) 2.326 8.635 ( -4.242 2.178 -2.407) 5.341 8.898 ( -2.143 -7.568 2.378) 8.217 9.072 ( 0.280 1.020 -0.683) 1.259 9.162 ( -0.483 2.112 3.332) 3.974 9.249 ( 4.107 -2.939 -1.318) 5.219 9.316 ( 0.345 -2.591 3.592) 4.442 9.447 ( -0.044 0.166 -1.569) 1.578 9.560 ( 1.071 1.948 0.319) 2.246 9.910 ( -0.408 -4.373 -2.941) 5.285 ======================= Grid point 12 (9/136) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 14.405 7.242 0.667) 16.137 1.502 ( 15.929 4.255 1.562) 16.561 1.823 ( -5.985 3.077 -0.569) 6.754 2.082 ( 0.500 4.229 4.654) 6.308 2.187 ( -2.788 -2.068 -0.016) 3.471 2.310 ( -2.774 -0.036 -3.142) 4.191 2.435 ( 3.980 -1.027 0.405) 4.130 2.524 ( 0.949 -2.772 0.426) 2.961 2.613 ( 4.104 1.546 -0.130) 4.387 2.683 ( -3.961 -3.239 -1.895) 5.457 2.736 ( -2.890 -0.821 2.197) 3.722 2.867 ( -1.517 2.228 -1.445) 3.058 2.896 ( 4.903 2.131 0.194) 5.349 3.120 ( 0.246 -3.154 0.652) 3.230 3.232 ( 4.843 3.113 2.318) 6.206 3.376 ( -1.496 -3.474 -1.763) 4.173 3.529 ( -0.927 1.643 0.671) 2.002 3.581 ( -4.247 5.814 1.481) 7.351 3.691 ( 0.873 0.547 -0.909) 1.374 3.810 ( -2.211 -1.265 -2.355) 3.469 4.135 ( -9.903 2.810 -1.612) 10.419 4.366 ( 3.902 -4.077 1.162) 5.761 4.841 ( -0.588 -2.507 -2.083) 3.312 4.884 ( -0.151 -1.547 0.141) 1.560 6.031 ( 0.887 2.200 2.283) 3.292 6.309 ( -0.923 6.620 0.009) 6.684 6.652 ( 0.469 5.410 -1.408) 5.610 6.758 ( 2.746 0.785 2.818) 4.012 6.860 ( 0.707 2.890 0.372) 2.998 7.037 ( -1.766 -0.809 1.688) 2.573 7.109 ( -0.606 -3.588 0.061) 3.639 7.286 ( -5.515 3.447 -2.861) 7.105 7.430 ( -5.582 0.842 -2.349) 6.114 7.566 ( 3.841 -1.715 2.442) 4.864 7.765 ( 5.147 -1.823 2.494) 6.003 8.031 ( -4.012 -1.015 -1.502) 4.402 8.223 ( 0.035 6.648 -3.345) 7.442 8.377 ( 2.874 -1.510 0.394) 3.270 8.486 ( -0.812 -0.882 1.780) 2.146 8.588 ( -0.271 2.303 -1.258) 2.639 8.837 ( -3.974 -5.962 1.404) 7.301 9.064 ( -0.593 2.558 -0.984) 2.804 9.142 ( -1.247 1.828 1.394) 2.616 9.278 ( 0.169 -5.738 -1.795) 6.015 9.377 ( 2.863 -1.044 3.679) 4.777 9.448 ( 0.539 0.796 -1.170) 1.515 9.578 ( 0.558 1.045 0.212) 1.203 9.887 ( -0.934 -4.097 -1.662) 4.519 ======================= Grid point 13 (10/136) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 4.058 0.000) 4.058 1.696 ( 0.000 3.100 -0.000) 3.100 1.756 ( 0.000 7.658 -0.000) 7.658 1.999 ( 0.000 6.379 -0.000) 6.379 2.188 ( 0.000 -11.481 0.000) 11.481 2.274 ( 0.000 0.590 -0.000) 0.590 2.470 ( 0.000 -4.275 -0.000) 4.275 2.564 ( 0.000 -1.354 0.000) 1.354 2.598 ( 0.000 -5.644 -0.000) 5.644 2.671 ( 0.000 1.137 0.000) 1.137 2.699 ( 0.000 1.113 -0.000) 1.113 2.848 ( 0.000 4.169 0.000) 4.169 2.974 ( 0.000 -6.051 -0.000) 6.051 3.166 ( 0.000 0.190 -0.000) 0.190 3.277 ( 0.000 -2.407 -0.000) 2.407 3.384 ( 0.000 14.950 0.000) 14.950 3.418 ( 0.000 0.226 -0.000) 0.226 3.592 ( 0.000 -0.361 0.000) 0.361 3.710 ( 0.000 1.631 -0.000) 1.631 3.779 ( 0.000 2.855 -0.000) 2.855 4.009 ( 0.000 1.452 0.000) 1.452 4.409 ( 0.000 -4.272 -0.000) 4.272 4.825 ( 0.000 -1.883 -0.000) 1.883 4.887 ( 0.000 -1.347 0.000) 1.347 6.043 ( 0.000 2.617 -0.000) 2.617 6.302 ( 0.000 4.774 0.000) 4.774 6.655 ( 0.000 5.976 -0.000) 5.976 6.790 ( 0.000 -0.585 0.000) 0.585 6.868 ( 0.000 4.600 0.000) 4.600 7.018 ( 0.000 -1.472 0.000) 1.472 7.099 ( 0.000 -3.116 -0.000) 3.116 7.229 ( 0.000 4.230 0.000) 4.230 7.368 ( 0.000 0.648 -0.000) 0.648 7.614 ( 0.000 -2.191 0.000) 2.191 7.855 ( 0.000 -5.653 -0.000) 5.653 7.949 ( -0.000 2.334 0.000) 2.334 8.217 ( 0.000 6.663 -0.000) 6.663 8.438 ( 0.000 -6.787 -0.000) 6.787 8.457 ( -0.000 3.034 0.000) 3.034 8.595 ( 0.000 2.521 -0.000) 2.521 8.785 ( 0.000 -5.598 0.000) 5.598 9.054 ( 0.000 3.893 -0.000) 3.893 9.131 ( 0.000 1.209 -0.000) 1.209 9.275 ( 0.000 -5.861 0.000) 5.861 9.412 ( 0.000 -1.241 -0.000) 1.241 9.454 ( 0.000 0.755 0.000) 0.755 9.583 ( 0.000 0.817 -0.000) 0.817 9.874 ( 0.000 -4.135 0.000) 4.135 ======================= Grid point 18 (11/136) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 23.295 0.000) 23.295 1.179 ( 0.000 26.364 0.000) 26.364 1.933 ( 0.000 20.173 0.000) 20.173 2.119 ( 0.000 5.209 0.000) 5.209 2.239 ( 0.000 7.879 0.000) 7.879 2.323 ( 0.000 3.822 0.000) 3.822 2.426 ( 0.000 -5.349 0.000) 5.349 2.451 ( 0.000 -2.667 0.000) 2.667 2.681 ( 0.000 -4.909 0.000) 4.909 2.769 ( 0.000 3.136 0.000) 3.136 2.863 ( 0.000 1.832 0.000) 1.832 2.885 ( 0.000 -2.428 0.000) 2.428 2.929 ( 0.000 -0.007 0.000) 0.007 2.976 ( 0.000 7.281 0.000) 7.281 3.292 ( 0.000 -2.189 0.000) 2.189 3.472 ( 0.000 0.462 0.000) 0.462 3.561 ( 0.000 -0.139 0.000) 0.139 3.632 ( 0.000 -2.742 0.000) 2.742 3.685 ( 0.000 1.059 0.000) 1.059 3.859 ( 0.000 -7.674 0.000) 7.674 3.885 ( 0.000 -1.152 0.000) 1.152 4.322 ( 0.000 -18.012 0.000) 18.012 4.700 ( 0.000 1.619 0.000) 1.619 4.906 ( 0.000 -4.003 0.000) 4.003 6.084 ( 0.000 7.215 0.000) 7.215 6.557 ( 0.000 -2.350 0.000) 2.350 6.655 ( 0.000 -3.246 0.000) 3.246 6.713 ( 0.000 0.881 0.000) 0.881 6.774 ( 0.000 2.717 0.000) 2.717 7.017 ( 0.000 -4.551 0.000) 4.551 7.183 ( 0.000 5.149 0.000) 5.149 7.340 ( 0.000 1.071 0.000) 1.071 7.670 ( 0.000 2.336 0.000) 2.336 7.819 ( 0.000 2.173 0.000) 2.173 7.851 ( 0.000 0.274 0.000) 0.274 7.929 ( 0.000 -4.855 0.000) 4.855 8.377 ( 0.000 7.675 0.000) 7.675 8.452 ( 0.000 2.712 0.000) 2.712 8.694 ( 0.000 5.144 0.000) 5.144 8.736 ( 0.000 -5.155 0.000) 5.155 8.804 ( 0.000 -5.566 0.000) 5.566 9.002 ( 0.000 -1.224 0.000) 1.224 9.054 ( 0.000 -0.392 0.000) 0.392 9.185 ( 0.000 -2.405 0.000) 2.405 9.297 ( 0.000 -3.086 0.000) 3.086 9.355 ( 0.000 -2.490 0.000) 2.490 9.630 ( 0.000 4.600 0.000) 4.600 9.825 ( 0.000 -0.576 0.000) 0.576 ======================= Grid point 19 (12/136) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 7.709 20.709 3.337) 22.347 1.217 ( 4.558 23.673 1.461) 24.152 1.971 ( 1.854 9.275 3.423) 10.058 2.154 ( 2.857 5.461 -1.006) 6.244 2.261 ( 0.312 4.349 0.272) 4.368 2.308 ( -0.764 3.249 -0.557) 3.383 2.432 ( 2.597 5.117 -1.664) 5.975 2.456 ( 0.204 -4.087 0.635) 4.141 2.645 ( -3.162 -2.638 -2.886) 5.029 2.745 ( -2.179 1.368 0.684) 2.662 2.844 ( -2.010 -0.371 2.231) 3.026 2.897 ( 0.578 -0.554 -2.954) 3.061 2.950 ( 1.046 1.597 1.296) 2.307 2.982 ( 1.415 6.075 0.567) 6.263 3.273 ( -0.789 -2.765 0.679) 2.955 3.372 ( -7.404 -1.149 2.926) 8.044 3.529 ( -5.576 -3.011 -2.763) 6.913 3.622 ( 3.409 0.034 -0.930) 3.534 3.723 ( 2.517 -1.440 -0.564) 2.955 3.872 ( -1.061 0.088 -0.516) 1.183 3.983 ( 8.279 -6.245 0.768) 10.399 4.333 ( 0.817 -13.921 -1.432) 14.018 4.713 ( 1.142 0.736 1.062) 1.725 4.897 ( -0.986 -3.636 -0.079) 3.768 6.086 ( 0.186 7.101 0.257) 7.108 6.575 ( -1.177 -5.822 -0.518) 5.962 6.620 ( -0.272 3.035 2.459) 3.916 6.712 ( 0.768 2.589 -2.378) 3.598 6.815 ( 2.939 2.342 3.503) 5.137 7.020 ( -0.118 -4.518 2.306) 5.074 7.167 ( -1.996 4.862 2.521) 5.829 7.361 ( 2.144 1.580 0.116) 2.666 7.658 ( -1.098 1.475 1.112) 2.149 7.731 ( -6.895 1.932 -4.229) 8.316 7.781 ( -6.588 0.383 -1.800) 6.840 7.960 ( 2.678 -4.489 0.044) 5.227 8.366 ( -0.503 6.814 -1.338) 6.963 8.429 ( -2.106 2.089 -3.802) 4.822 8.620 ( -4.677 5.052 0.103) 6.885 8.741 ( -0.881 -5.307 3.180) 6.249 8.764 ( -2.983 -2.769 -5.545) 6.879 9.057 ( 2.573 -1.446 2.022) 3.578 9.076 ( 3.488 0.063 1.853) 3.950 9.189 ( 0.181 -2.953 2.221) 3.700 9.273 ( -1.226 -1.465 1.430) 2.387 9.392 ( 2.194 -3.013 -0.273) 3.737 9.622 ( -0.568 4.132 -0.690) 4.227 9.831 ( 0.359 -2.287 -1.852) 2.965 ======================= Grid point 20 (13/136) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 11.120 13.993 3.589) 18.230 1.390 ( 11.444 16.786 0.447) 20.321 1.984 ( -1.828 3.743 3.902) 5.708 2.169 ( -3.516 3.998 1.717) 5.594 2.235 ( 0.323 -3.208 1.363) 3.501 2.305 ( 0.256 -3.158 0.298) 3.182 2.426 ( -2.456 -2.223 -1.014) 3.464 2.531 ( -1.200 4.044 -6.423) 7.684 2.585 ( 3.560 6.282 -1.533) 7.382 2.697 ( -2.042 1.349 1.184) 2.719 2.792 ( -3.473 -0.654 2.281) 4.206 2.896 ( 0.457 1.426 -3.506) 3.812 2.942 ( -1.035 2.917 1.685) 3.524 3.042 ( 1.308 0.514 1.537) 2.082 3.258 ( 0.410 2.711 2.863) 3.965 3.295 ( -0.362 -4.676 0.078) 4.690 3.449 ( -1.272 -5.427 -2.651) 6.173 3.677 ( 2.318 2.141 -0.941) 3.293 3.758 ( 1.425 -3.111 -1.281) 3.654 3.833 ( -2.889 4.753 0.411) 5.578 4.139 ( 6.696 -6.698 0.874) 9.511 4.318 ( -2.525 -4.522 -2.262) 5.652 4.749 ( 2.008 -1.755 0.665) 2.749 4.867 ( -1.785 -2.903 -0.267) 3.418 6.096 ( 0.801 6.574 0.483) 6.640 6.493 ( -4.198 1.169 -1.041) 4.480 6.685 ( 3.536 -0.054 4.206) 5.495 6.737 ( 2.149 4.574 -2.399) 5.594 6.885 ( 2.732 2.586 2.923) 4.764 7.022 ( -0.193 -4.480 2.969) 5.378 7.113 ( -3.909 3.390 2.547) 5.767 7.419 ( 2.852 2.930 -1.136) 4.243 7.557 ( -6.566 0.165 -3.628) 7.503 7.619 ( -7.999 2.463 -1.668) 8.534 7.662 ( 0.039 -0.422 2.224) 2.265 8.017 ( 2.616 -3.450 -0.105) 4.331 8.345 ( -4.075 -0.698 -2.578) 4.872 8.357 ( -0.565 5.787 -4.566) 7.393 8.558 ( -1.862 4.158 2.009) 4.980 8.680 ( -2.849 2.711 -3.108) 5.012 8.733 ( -1.041 -7.927 1.786) 8.192 9.076 ( -0.227 -2.210 -0.955) 2.419 9.152 ( 2.149 -1.883 -0.455) 2.894 9.213 ( 0.754 0.163 4.300) 4.368 9.281 ( 2.100 -0.672 3.637) 4.253 9.422 ( 1.035 -2.329 -0.807) 2.674 9.608 ( -0.582 2.614 -0.728) 2.775 9.818 ( -1.049 -4.142 -2.385) 4.893 ======================= Grid point 21 (14/136) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 11.412 7.538 2.637) 13.929 1.622 ( 11.682 10.284 -1.399) 15.627 1.922 ( -4.199 6.188 1.774) 7.686 2.080 ( -5.212 -3.410 3.306) 7.052 2.237 ( -2.335 4.413 1.469) 5.204 2.329 ( 0.176 -7.267 1.866) 7.504 2.340 ( -2.786 0.261 -2.853) 3.996 2.457 ( -1.966 -3.272 -4.027) 5.548 2.585 ( -3.114 -1.630 -1.360) 3.769 2.713 ( -0.221 3.360 -0.451) 3.398 2.754 ( 0.883 3.621 0.779) 3.808 2.890 ( -1.546 0.499 2.747) 3.191 2.929 ( -0.182 1.951 -0.093) 1.961 3.055 ( 2.538 -3.314 -0.229) 4.180 3.249 ( -3.384 -5.113 -0.563) 6.157 3.380 ( 7.341 6.424 -0.840) 9.791 3.459 ( 2.021 -7.670 -0.177) 7.934 3.705 ( 0.487 -0.611 -1.682) 1.854 3.755 ( -3.844 7.534 1.473) 8.585 3.817 ( 4.707 6.131 0.353) 7.738 4.209 ( -6.895 2.662 -2.276) 7.733 4.251 ( 3.583 -6.325 0.790) 7.312 4.779 ( 0.500 -3.011 -0.956) 3.199 4.839 ( -0.549 -2.739 0.569) 2.851 6.116 ( 0.875 5.811 0.386) 5.889 6.426 ( -2.202 3.027 -0.630) 3.796 6.758 ( 2.435 1.618 3.917) 4.888 6.773 ( 1.779 4.783 -2.450) 5.661 6.925 ( 0.877 1.405 0.568) 1.751 7.032 ( -1.454 -3.197 0.023) 3.512 7.035 ( -2.027 0.991 3.551) 4.207 7.390 ( -2.585 4.280 -3.250) 5.963 7.464 ( -5.674 2.817 -1.639) 6.544 7.552 ( 2.797 2.791 1.909) 4.388 7.681 ( 0.962 -6.403 2.118) 6.812 8.044 ( -0.230 1.600 -0.150) 1.623 8.272 ( -1.630 -6.069 -2.134) 6.636 8.342 ( -0.263 3.940 -2.919) 4.910 8.537 ( -0.843 3.485 1.210) 3.784 8.647 ( 0.158 3.224 -2.070) 3.835 8.709 ( -1.951 -5.533 2.383) 6.333 9.062 ( -0.556 -4.253 -1.034) 4.412 9.172 ( 0.451 1.234 -0.595) 1.442 9.218 ( -0.603 1.288 1.721) 2.233 9.348 ( 2.529 -1.531 3.143) 4.315 9.435 ( 0.543 -1.779 -0.673) 1.978 9.598 ( -0.282 0.881 -0.395) 1.006 9.786 ( -1.344 -5.170 -1.691) 5.603 ======================= Grid point 22 (15/136) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.000 9.331 0.000) 9.331 1.788 ( 0.000 4.890 -0.000) 4.890 1.901 ( 0.000 4.866 -0.000) 4.866 1.968 ( -0.000 -4.502 -0.000) 4.502 2.187 ( 0.000 7.042 -0.000) 7.042 2.290 ( 0.000 0.820 0.000) 0.820 2.362 ( -0.000 -5.679 -0.000) 5.679 2.438 ( 0.000 -9.247 0.000) 9.247 2.539 ( -0.000 0.199 -0.000) 0.199 2.700 ( 0.000 1.294 0.000) 1.294 2.772 ( 0.000 5.593 0.000) 5.593 2.872 ( 0.000 -3.126 -0.000) 3.126 2.927 ( 0.000 3.317 0.000) 3.317 3.122 ( 0.000 -3.592 0.000) 3.592 3.180 ( 0.000 -6.121 -0.000) 6.121 3.451 ( 0.000 -2.285 0.000) 2.285 3.506 ( 0.000 -3.245 0.000) 3.245 3.684 ( 0.000 8.791 -0.000) 8.791 3.720 ( 0.000 2.844 -0.000) 2.844 3.919 ( 0.000 10.109 -0.000) 10.109 4.083 ( 0.000 4.706 0.000) 4.706 4.292 ( 0.000 -6.514 0.000) 6.514 4.775 ( 0.000 -2.637 -0.000) 2.637 4.840 ( 0.000 -3.219 0.000) 3.219 6.126 ( 0.000 5.442 -0.000) 5.442 6.403 ( 0.000 3.227 0.000) 3.227 6.785 ( -0.000 6.475 -0.000) 6.475 6.794 ( 0.000 1.225 0.000) 1.225 6.939 ( 0.000 1.963 -0.000) 1.963 6.980 ( 0.000 -2.137 0.000) 2.137 7.046 ( 0.000 -1.963 0.000) 1.963 7.377 ( -0.000 8.582 0.000) 8.582 7.384 ( 0.000 0.652 -0.000) 0.652 7.591 ( 0.000 2.302 0.000) 2.302 7.696 ( 0.000 -9.896 -0.000) 9.896 8.032 ( 0.000 5.680 0.000) 5.680 8.259 ( 0.000 -9.313 -0.000) 9.313 8.336 ( 0.000 3.132 -0.000) 3.132 8.529 ( 0.000 3.357 0.000) 3.357 8.665 ( -0.000 4.208 0.000) 4.208 8.674 ( 0.000 -4.965 -0.000) 4.965 9.055 ( 0.000 -4.911 -0.000) 4.911 9.175 ( 0.000 3.142 -0.000) 3.142 9.212 ( 0.000 0.849 0.000) 0.849 9.379 ( 0.000 -1.821 -0.000) 1.821 9.440 ( 0.000 -1.735 0.000) 1.735 9.595 ( 0.000 0.213 0.000) 0.213 9.769 ( 0.000 -5.570 0.000) 5.570 ======================= Grid point 27 (16/136) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 18.976 0.000) 18.976 1.684 ( 0.000 22.411 0.000) 22.411 1.831 ( 0.000 -13.118 0.000) 13.118 2.087 ( 0.000 -15.928 0.000) 15.928 2.263 ( 0.000 4.097 0.000) 4.097 2.348 ( 0.000 -3.119 0.000) 3.119 2.446 ( 0.000 3.821 0.000) 3.821 2.543 ( 0.000 -4.747 0.000) 4.747 2.773 ( 0.000 10.056 0.000) 10.056 2.827 ( 0.000 1.897 0.000) 1.897 2.846 ( 0.000 -0.754 0.000) 0.754 2.871 ( 0.000 -1.344 0.000) 1.344 3.117 ( 0.000 22.734 0.000) 22.734 3.128 ( 0.000 6.643 0.000) 6.643 3.241 ( 0.000 -2.346 0.000) 2.346 3.493 ( 0.000 0.692 0.000) 0.692 3.546 ( 0.000 -1.226 0.000) 1.226 3.610 ( 0.000 1.291 0.000) 1.291 3.614 ( 0.000 -12.077 0.000) 12.077 3.703 ( 0.000 -6.689 0.000) 6.689 3.865 ( 0.000 -0.128 0.000) 0.128 3.953 ( 0.000 -12.704 0.000) 12.704 4.745 ( 0.000 2.817 0.000) 2.817 4.818 ( 0.000 -4.165 0.000) 4.165 6.243 ( 0.000 8.083 0.000) 8.083 6.414 ( 0.000 -8.407 0.000) 8.407 6.655 ( 0.000 1.397 0.000) 1.397 6.695 ( 0.000 -2.074 0.000) 2.074 6.858 ( 0.000 4.323 0.000) 4.323 6.937 ( 0.000 -3.504 0.000) 3.504 7.312 ( 0.000 5.782 0.000) 5.782 7.365 ( 0.000 0.446 0.000) 0.446 7.707 ( 0.000 2.185 0.000) 2.185 7.800 ( 0.000 -6.529 0.000) 6.529 7.852 ( 0.000 0.880 0.000) 0.880 7.858 ( 0.000 0.193 0.000) 0.193 8.494 ( 0.000 5.194 0.000) 5.194 8.572 ( 0.000 6.786 0.000) 6.786 8.612 ( 0.000 -6.188 0.000) 6.188 8.697 ( 0.000 -5.360 0.000) 5.360 8.822 ( 0.000 7.080 0.000) 7.080 8.952 ( 0.000 -4.410 0.000) 4.410 9.055 ( 0.000 0.645 0.000) 0.645 9.098 ( 0.000 -4.038 0.000) 4.038 9.279 ( 0.000 0.658 0.000) 0.658 9.307 ( 0.000 -1.962 0.000) 1.962 9.721 ( 0.000 4.107 0.000) 4.107 9.792 ( 0.000 -2.617 0.000) 2.617 ======================= Grid point 28 (17/136) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 4.650 17.774 2.274) 18.513 1.682 ( 0.066 21.018 1.646) 21.083 1.863 ( 2.977 -11.996 1.557) 12.457 2.070 ( -2.052 -15.958 1.058) 16.124 2.245 ( -1.475 4.744 1.181) 5.107 2.348 ( -0.358 -4.302 0.446) 4.340 2.425 ( -1.863 4.835 -1.402) 5.368 2.533 ( -1.249 -5.192 -0.748) 5.393 2.764 ( -1.087 6.589 -1.693) 6.889 2.818 ( -1.206 0.221 -0.551) 1.344 2.841 ( 0.527 3.137 -0.607) 3.238 2.883 ( 1.308 -1.272 -1.919) 2.648 3.060 ( -3.380 10.117 -0.002) 10.667 3.181 ( -0.969 5.817 1.329) 6.045 3.242 ( 2.709 8.087 -1.350) 8.635 3.361 ( -7.653 0.682 3.627) 8.496 3.422 ( -8.027 -4.873 -0.516) 9.404 3.612 ( 0.386 -11.966 -0.374) 11.978 3.687 ( 5.431 5.234 -0.921) 7.598 3.820 ( 6.244 -6.633 0.588) 9.129 3.917 ( 4.685 1.643 -0.629) 5.004 4.035 ( 6.870 -11.446 -1.161) 13.400 4.751 ( 0.360 2.639 0.628) 2.737 4.818 ( -0.217 -3.725 0.402) 3.753 6.245 ( 0.185 8.172 -0.179) 8.176 6.417 ( 0.127 -8.408 -0.285) 8.414 6.672 ( 1.654 2.424 1.527) 3.308 6.721 ( 2.382 -1.795 1.106) 3.182 6.876 ( 1.475 3.262 1.208) 3.779 6.941 ( 0.074 -3.193 1.350) 3.467 7.301 ( -1.569 6.888 1.842) 7.301 7.388 ( 1.877 -0.600 1.091) 2.252 7.671 ( -3.855 1.546 -2.127) 4.666 7.741 ( -5.514 -3.335 -4.566) 7.898 7.801 ( -3.318 2.654 0.448) 4.272 7.862 ( 0.999 -3.805 1.038) 4.068 8.467 ( -2.449 4.662 -1.870) 5.588 8.527 ( -3.774 4.114 -3.254) 6.462 8.602 ( -0.594 -4.889 -0.247) 4.931 8.641 ( -3.810 -3.118 0.114) 4.925 8.824 ( -0.606 6.896 -2.395) 7.325 8.975 ( 0.637 -6.497 -1.122) 6.624 9.089 ( 3.040 0.968 3.316) 4.601 9.120 ( 2.371 -2.372 4.480) 5.596 9.281 ( 0.399 1.626 0.668) 1.803 9.329 ( 1.654 -2.852 -0.128) 3.299 9.707 ( -1.315 3.914 -0.862) 4.218 9.779 ( -1.206 -2.995 -1.154) 3.429 ======================= Grid point 29 (18/136) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 4.527 15.795 3.523) 16.804 1.728 ( 5.428 15.318 0.953) 16.279 1.952 ( 4.880 -9.355 3.085) 10.993 2.013 ( -3.468 -12.453 1.365) 12.999 2.210 ( -2.826 3.293 1.802) 4.699 2.322 ( -2.754 -6.148 0.571) 6.761 2.379 ( -1.817 5.676 -1.570) 6.164 2.484 ( -3.200 -4.508 -2.005) 5.881 2.712 ( -3.244 4.393 -2.960) 6.212 2.773 ( -2.871 -1.505 -0.390) 3.265 2.871 ( 1.788 6.161 -0.803) 6.465 2.911 ( 2.219 -0.245 -2.710) 3.511 2.995 ( -2.210 5.315 -1.466) 5.940 3.087 ( -7.108 1.586 3.404) 8.039 3.199 ( -4.339 -2.850 1.569) 5.423 3.288 ( -4.202 -8.454 0.630) 9.462 3.415 ( 6.984 11.174 -0.353) 13.182 3.625 ( 1.120 -7.588 -0.870) 7.719 3.799 ( 5.925 6.397 -0.671) 8.746 3.918 ( 3.427 -0.806 1.464) 3.813 4.025 ( 5.784 0.107 -1.062) 5.881 4.163 ( 5.291 -9.150 -2.007) 10.759 4.755 ( -0.329 1.801 0.749) 1.978 4.805 ( -1.167 -2.904 0.432) 3.159 6.250 ( 0.373 8.008 -0.370) 8.025 6.412 ( -0.537 -7.128 -0.961) 7.212 6.731 ( 3.449 3.507 3.156) 5.844 6.787 ( 3.607 -0.659 1.148) 3.842 6.913 ( 1.612 0.657 1.323) 2.186 6.940 ( -0.540 -2.586 1.683) 3.132 7.245 ( -4.495 8.718 2.302) 10.074 7.414 ( -0.902 -5.788 0.901) 5.926 7.565 ( -3.997 2.051 -3.795) 5.881 7.609 ( -5.496 -1.811 -3.404) 6.714 7.755 ( -1.305 7.516 1.629) 7.801 7.911 ( 3.304 -6.817 1.603) 7.743 8.375 ( -5.913 3.454 -3.455) 7.670 8.431 ( -4.285 0.234 -3.525) 5.554 8.589 ( -0.736 -0.823 -0.985) 1.480 8.601 ( 0.070 -3.289 0.425) 3.317 8.790 ( -1.780 7.436 -0.795) 7.688 8.953 ( -1.695 -7.858 -1.046) 8.107 9.168 ( 3.407 1.888 1.937) 4.350 9.202 ( 3.538 -1.279 4.515) 5.877 9.299 ( 1.024 2.223 1.353) 2.796 9.360 ( 1.348 -3.381 -0.134) 3.642 9.668 ( -2.122 3.210 -1.275) 4.054 9.739 ( -2.275 -3.646 -1.778) 4.651 ======================= Grid point 30 (19/136) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 5.223 9.123 1.172) 10.577 1.870 ( 6.636 12.067 0.660) 13.787 1.953 ( -2.361 -8.411 1.278) 8.829 2.050 ( 2.001 1.297 3.397) 4.150 2.152 ( -1.577 -4.184 1.097) 4.604 2.249 ( -3.846 -5.724 1.877) 7.147 2.343 ( -1.783 2.292 -1.265) 3.168 2.398 ( -4.485 -2.710 -3.688) 6.408 2.640 ( -2.777 5.074 -1.737) 6.040 2.718 ( -2.091 -1.980 -0.333) 2.899 2.882 ( 0.042 6.034 -1.719) 6.275 2.956 ( -2.459 4.077 2.368) 5.317 2.972 ( 2.894 2.530 -1.260) 4.045 2.992 ( -0.853 -0.779 -0.458) 1.243 3.124 ( -3.730 -4.936 1.154) 6.293 3.236 ( -1.392 -11.942 0.780) 12.048 3.533 ( 4.336 6.762 -1.128) 8.111 3.648 ( 1.190 -4.285 -1.092) 4.579 3.899 ( 2.840 7.299 1.107) 7.909 3.993 ( 4.900 4.255 1.583) 6.680 4.123 ( 3.656 -1.805 -1.632) 4.392 4.213 ( 0.137 -3.782 -2.067) 4.313 4.744 ( -0.705 0.082 0.253) 0.754 4.779 ( -1.321 -2.765 0.603) 3.123 6.256 ( 0.267 7.364 -0.372) 7.378 6.395 ( -0.706 -5.279 -0.866) 5.396 6.808 ( 2.928 3.672 2.967) 5.555 6.860 ( 3.271 1.363 0.195) 3.549 6.916 ( -1.133 -0.997 0.571) 1.614 6.949 ( 0.492 -3.472 0.841) 3.606 7.159 ( -3.668 10.111 1.668) 10.884 7.368 ( -1.767 -7.052 0.039) 7.270 7.487 ( -3.399 0.645 -2.445) 4.236 7.529 ( -2.884 -4.649 -1.108) 5.582 7.765 ( 1.539 12.615 1.710) 12.823 7.992 ( 3.889 -8.187 2.498) 9.402 8.247 ( -5.301 4.379 -3.587) 7.755 8.350 ( -2.772 -3.473 -2.515) 5.106 8.582 ( -0.106 1.007 -0.272) 1.048 8.606 ( 0.184 -2.276 -0.744) 2.401 8.769 ( -0.225 6.847 0.859) 6.905 8.924 ( -0.893 -7.776 -0.201) 7.829 9.223 ( 1.939 2.764 -0.150) 3.380 9.252 ( 0.522 0.643 2.288) 2.433 9.330 ( 1.481 0.601 1.575) 2.244 9.381 ( 0.734 -3.256 0.025) 3.337 9.625 ( -1.656 2.055 -0.934) 2.800 9.688 ( -2.038 -4.081 -1.430) 4.780 ======================= Grid point 31 (20/136) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.000 2.560 0.000) 2.560 1.914 ( -0.000 -1.478 -0.000) 1.478 1.950 ( 0.000 9.651 0.000) 9.651 2.038 ( 0.000 8.658 -0.000) 8.658 2.159 ( 0.000 -8.735 -0.000) 8.735 2.233 ( 0.000 -9.430 -0.000) 9.430 2.314 ( 0.000 0.486 0.000) 0.486 2.321 ( 0.000 0.384 0.000) 0.384 2.609 ( 0.000 5.555 0.000) 5.555 2.696 ( 0.000 -2.241 0.000) 2.241 2.881 ( 0.000 4.046 0.000) 4.046 2.921 ( 0.000 7.151 -0.000) 7.151 2.983 ( 0.000 2.117 -0.000) 2.117 3.046 ( 0.000 -3.406 -0.000) 3.406 3.055 ( -0.000 -3.278 0.000) 3.278 3.225 ( 0.000 -13.356 0.000) 13.356 3.575 ( 0.000 4.591 0.000) 4.591 3.659 ( 0.000 -3.325 -0.000) 3.325 3.922 ( 0.000 9.581 -0.000) 9.581 4.096 ( -0.000 -6.260 -0.000) 6.260 4.125 ( 0.000 7.844 0.000) 7.844 4.202 ( 0.000 -0.750 0.000) 0.750 4.735 ( 0.000 -0.652 0.000) 0.652 4.766 ( 0.000 -3.351 0.000) 3.351 6.258 ( 0.000 6.942 -0.000) 6.942 6.386 ( 0.000 -4.523 0.000) 4.523 6.844 ( 0.000 3.581 0.000) 3.581 6.886 ( 0.000 2.749 -0.000) 2.749 6.929 ( -0.000 -3.653 -0.000) 3.653 6.935 ( 0.000 -2.163 0.000) 2.163 7.125 ( 0.000 11.169 0.000) 11.169 7.359 ( 0.000 -6.437 -0.000) 6.437 7.449 ( 0.000 0.195 0.000) 0.195 7.484 ( 0.000 -6.819 -0.000) 6.819 7.789 ( 0.000 13.562 0.000) 13.562 8.049 ( 0.000 -11.225 0.000) 11.225 8.175 ( -0.000 7.728 -0.000) 7.728 8.318 ( 0.000 -5.004 -0.000) 5.004 8.580 ( 0.000 1.551 0.000) 1.551 8.605 ( 0.000 -1.566 -0.000) 1.566 8.772 ( 0.000 6.213 0.000) 6.213 8.916 ( 0.000 -7.445 -0.000) 7.445 9.248 ( 0.000 2.899 -0.000) 2.899 9.251 ( -0.000 1.843 0.000) 1.843 9.349 ( 0.000 -0.387 -0.000) 0.387 9.389 ( 0.000 -3.112 -0.000) 3.112 9.606 ( 0.000 1.396 0.000) 1.396 9.664 ( 0.000 -4.205 -0.000) 4.205 ======================= Grid point 63 (21/136) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 5.486 0.000 24.279) 24.891 0.518 ( -1.592 0.000 26.791) 26.838 0.883 ( -1.304 0.000 45.210) 45.228 2.103 ( -0.351 0.000 1.782) 1.816 2.195 ( -4.241 0.000 -3.035) 5.215 2.295 ( 3.365 0.000 3.028) 4.527 2.521 ( 0.312 0.000 -1.592) 1.623 2.534 ( -3.210 0.000 -7.254) 7.933 2.600 ( 1.194 0.000 -0.682) 1.376 2.744 ( -0.182 0.000 0.507) 0.539 2.872 ( 5.335 0.000 -1.504) 5.543 2.983 ( 1.716 0.000 0.269) 1.736 2.984 ( 2.646 0.000 3.234) 4.179 3.040 ( -1.436 0.000 2.063) 2.514 3.299 ( 1.420 0.000 -1.033) 1.756 3.487 ( 0.601 0.000 0.312) 0.677 3.555 ( 0.019 0.000 2.314) 2.314 3.610 ( -2.656 0.000 -0.883) 2.799 3.681 ( -1.722 0.000 -2.007) 2.645 3.871 ( 0.125 0.000 -0.916) 0.925 4.030 ( 0.643 0.000 -1.593) 1.718 4.636 ( -3.909 0.000 -3.669) 5.362 4.719 ( 4.722 0.000 -2.582) 5.382 4.953 ( -1.632 0.000 -2.230) 2.763 6.113 ( -1.015 0.000 1.555) 1.857 6.439 ( 4.116 0.000 -0.134) 4.119 6.562 ( 12.431 0.000 8.534) 15.079 6.761 ( 3.755 0.000 7.980) 8.820 6.848 ( -1.693 0.000 0.096) 1.696 7.061 ( 0.362 0.000 -2.967) 2.989 7.195 ( -0.812 0.000 2.160) 2.307 7.399 ( -0.484 0.000 4.714) 4.739 7.559 ( 2.133 0.000 -0.201) 2.143 7.742 ( -3.921 0.000 -7.523) 8.483 7.863 ( -2.597 0.000 -0.801) 2.718 8.054 ( -0.015 0.000 -1.655) 1.655 8.087 ( -2.360 0.000 -0.037) 2.361 8.234 ( -7.866 0.000 -0.999) 7.929 8.531 ( -1.689 0.000 3.938) 4.285 8.774 ( -1.980 0.000 -5.916) 6.239 8.895 ( 3.700 0.000 -0.977) 3.827 9.048 ( 1.673 0.000 2.776) 3.241 9.131 ( 9.374 0.000 1.971) 9.579 9.153 ( -0.237 0.000 -0.466) 0.523 9.399 ( -2.261 0.000 -2.086) 3.076 9.459 ( -0.864 0.000 -1.853) 2.045 9.459 ( 3.022 0.000 1.609) 3.424 9.813 ( -6.236 0.000 -0.969) 6.311 ======================= Grid point 64 (22/136) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 12.527 0.000 18.752) 22.551 0.784 ( 17.954 0.000 18.201) 25.566 1.306 ( 26.724 0.000 31.271) 41.134 2.067 ( -7.076 0.000 -3.492) 7.890 2.117 ( 1.144 0.000 2.098) 2.389 2.357 ( 1.728 0.000 2.001) 2.644 2.439 ( -4.829 0.000 -5.984) 7.689 2.523 ( 0.294 0.000 -1.397) 1.428 2.617 ( 0.575 0.000 1.298) 1.420 2.713 ( -1.716 0.000 -3.152) 3.589 2.920 ( -0.035 0.000 3.395) 3.396 2.968 ( -3.896 0.000 -1.399) 4.139 2.997 ( 1.343 0.000 2.786) 3.093 3.016 ( -1.487 0.000 3.811) 4.091 3.367 ( 4.924 0.000 0.433) 4.943 3.433 ( -5.081 0.000 0.229) 5.086 3.492 ( -5.316 0.000 1.695) 5.580 3.674 ( 0.811 0.000 -0.498) 0.952 3.713 ( 6.040 0.000 -10.140) 11.802 3.820 ( -4.771 0.000 -0.531) 4.801 4.120 ( 7.586 0.000 -3.034) 8.170 4.500 ( -8.193 0.000 -4.393) 9.296 4.809 ( 3.830 0.000 -0.889) 3.931 4.905 ( -2.267 0.000 -3.640) 4.288 6.118 ( 1.210 0.000 1.041) 1.596 6.450 ( -4.841 0.000 4.737) 6.774 6.559 ( -6.559 0.000 10.920) 12.738 6.756 ( -1.001 0.000 8.526) 8.585 6.858 ( 1.645 0.000 3.294) 3.682 7.059 ( 0.182 0.000 -2.767) 2.772 7.209 ( 0.739 0.000 7.389) 7.426 7.444 ( 3.878 0.000 4.190) 5.709 7.565 ( -9.929 0.000 -9.629) 13.832 7.606 ( 1.317 0.000 0.816) 1.549 7.728 ( -8.366 0.000 -3.103) 8.923 7.987 ( -3.086 0.000 -3.212) 4.454 8.093 ( 3.548 0.000 0.563) 3.593 8.268 ( 5.090 0.000 0.356) 5.102 8.545 ( 1.221 0.000 3.738) 3.932 8.649 ( -7.022 0.000 -7.236) 10.083 8.991 ( 4.147 0.000 -1.377) 4.370 9.110 ( 2.042 0.000 0.645) 2.142 9.177 ( 3.106 0.000 0.691) 3.182 9.197 ( -2.506 0.000 3.792) 4.545 9.367 ( 0.070 0.000 -0.857) 0.860 9.420 ( -2.053 0.000 -2.721) 3.409 9.521 ( 2.507 0.000 2.201) 3.336 9.818 ( 3.572 0.000 -7.686) 8.476 ======================= Grid point 65 (23/136) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 17.915 0.000 10.529) 20.780 1.204 ( 18.815 0.000 11.338) 21.967 1.908 ( -7.709 0.000 -3.117) 8.315 1.930 ( 27.476 0.000 18.920) 33.360 2.147 ( 0.385 0.000 3.990) 4.008 2.312 ( -5.923 0.000 -5.212) 7.890 2.372 ( -0.411 0.000 0.537) 0.676 2.527 ( 0.459 0.000 -1.275) 1.355 2.640 ( 1.331 0.000 3.623) 3.860 2.687 ( 0.362 0.000 -4.187) 4.203 2.833 ( -8.025 0.000 -3.438) 8.730 2.894 ( -2.445 0.000 3.363) 4.158 2.974 ( -4.354 0.000 5.673) 7.152 3.092 ( 6.590 0.000 1.691) 6.803 3.313 ( -6.582 0.000 1.243) 6.699 3.421 ( -1.473 0.000 0.460) 1.543 3.481 ( 5.808 0.000 1.193) 5.929 3.674 ( -8.131 0.000 -1.606) 8.288 3.683 ( 0.040 0.000 -0.024) 0.047 3.750 ( -0.602 0.000 -7.765) 7.788 4.269 ( 7.402 0.000 -4.023) 8.424 4.293 ( -11.013 0.000 -3.994) 11.715 4.853 ( -1.734 0.000 -3.633) 4.026 4.862 ( 1.790 0.000 -1.029) 2.065 6.163 ( 2.894 0.000 1.022) 3.069 6.298 ( -8.823 0.000 14.865) 17.286 6.558 ( 1.380 0.000 1.023) 1.718 6.780 ( 0.758 0.000 3.488) 3.569 6.896 ( 0.654 0.000 9.364) 9.387 7.055 ( 0.007 0.000 -2.183) 2.183 7.230 ( -0.522 0.000 6.834) 6.854 7.337 ( -9.470 0.000 -6.607) 11.547 7.506 ( -8.446 0.000 -3.570) 9.170 7.551 ( 5.200 0.000 4.341) 6.774 7.691 ( 3.382 0.000 -0.517) 3.422 7.955 ( 0.886 0.000 -6.909) 6.965 8.147 ( -0.250 0.000 0.705) 0.748 8.354 ( 3.308 0.000 1.846) 3.788 8.512 ( -3.267 0.000 -6.554) 7.323 8.578 ( 0.789 0.000 4.161) 4.235 9.023 ( -0.161 0.000 -2.091) 2.097 9.110 ( -6.639 0.000 4.809) 8.198 9.123 ( -0.720 0.000 -0.500) 0.877 9.247 ( 3.763 0.000 -2.659) 4.608 9.383 ( -0.866 0.000 -2.146) 2.315 9.408 ( 3.267 0.000 1.384) 3.548 9.566 ( 1.308 0.000 2.502) 2.823 9.847 ( 1.471 0.000 -8.076) 8.209 ======================= Grid point 66 (24/136) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 15.788 0.000 7.164) 17.337 1.552 ( 12.793 0.000 7.847) 15.008 1.755 ( -6.609 0.000 -1.648) 6.811 2.075 ( -8.135 0.000 2.753) 8.589 2.243 ( 0.456 0.000 -3.359) 3.390 2.352 ( -1.242 0.000 -0.766) 1.459 2.435 ( 15.819 0.000 11.063) 19.303 2.538 ( 0.949 0.000 -1.298) 1.608 2.655 ( -4.151 0.000 -3.743) 5.589 2.704 ( -0.099 0.000 3.980) 3.981 2.723 ( 4.658 0.000 -3.296) 5.706 2.873 ( 1.705 0.000 2.183) 2.770 2.876 ( -6.058 0.000 6.560) 8.929 3.198 ( -4.765 0.000 2.303) 5.293 3.239 ( 6.791 0.000 0.093) 6.792 3.422 ( 0.912 0.000 -0.121) 0.921 3.465 ( -11.896 0.000 1.697) 12.017 3.576 ( 0.449 0.000 -0.735) 0.861 3.682 ( 0.039 0.000 0.185) 0.189 3.700 ( -0.379 0.000 -6.207) 6.218 4.075 ( -8.437 0.000 -2.960) 8.941 4.375 ( 3.919 0.000 -5.041) 6.386 4.828 ( 0.175 0.000 -1.781) 1.789 4.880 ( 0.467 0.000 -1.182) 1.271 6.188 ( -5.815 0.000 12.067) 13.395 6.228 ( 2.946 0.000 1.524) 3.317 6.584 ( 0.816 0.000 1.815) 1.990 6.792 ( 0.205 0.000 -1.329) 1.345 6.925 ( -0.729 0.000 12.458) 12.479 7.041 ( -1.060 0.000 -1.879) 2.157 7.189 ( -3.654 0.000 -2.025) 4.178 7.223 ( -1.507 0.000 5.356) 5.564 7.367 ( -3.840 0.000 -2.977) 4.859 7.640 ( 1.944 0.000 2.453) 3.130 7.779 ( 5.522 0.000 -1.825) 5.815 7.987 ( 4.028 0.000 -7.442) 8.462 8.049 ( -7.827 0.000 -3.577) 8.606 8.418 ( 2.523 0.000 2.760) 3.740 8.516 ( 3.187 0.000 -2.094) 3.813 8.585 ( -1.282 0.000 4.313) 4.500 8.981 ( -6.456 0.000 3.387) 7.291 8.996 ( -1.674 0.000 -1.068) 1.986 9.101 ( -0.538 0.000 -2.212) 2.276 9.302 ( 2.269 0.000 -4.042) 4.635 9.374 ( 0.248 0.000 -0.340) 0.421 9.469 ( 2.065 0.000 0.915) 2.259 9.584 ( -0.104 0.000 2.319) 2.321 9.853 ( 1.250 0.000 -6.459) 6.579 ======================= Grid point 67 (25/136) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -2.552 0.000 5.187) 5.781 1.633 ( -5.779 0.000 -0.278) 5.786 1.743 ( 4.808 0.000 5.623) 7.398 1.962 ( 0.287 0.000 2.874) 2.888 2.253 ( 0.478 0.000 0.312) 0.571 2.334 ( -0.049 0.000 -1.314) 1.315 2.534 ( -1.514 0.000 -3.466) 3.782 2.575 ( -0.172 0.000 3.547) 3.551 2.596 ( 0.724 0.000 -2.163) 2.281 2.692 ( -3.334 0.000 2.913) 4.428 2.762 ( -0.635 0.000 -0.564) 0.849 2.847 ( 2.509 0.000 7.821) 8.214 3.066 ( 7.038 0.000 -0.673) 7.070 3.151 ( -0.490 0.000 2.981) 3.021 3.193 ( -8.280 0.000 3.010) 8.810 3.304 ( -3.146 0.000 -1.940) 3.696 3.439 ( 0.638 0.000 0.224) 0.676 3.513 ( -1.305 0.000 -4.665) 4.844 3.691 ( 0.766 0.000 0.705) 1.041 3.759 ( 4.841 0.000 -0.599) 4.878 3.994 ( 1.499 0.000 -1.157) 1.894 4.395 ( -0.487 0.000 -6.046) 6.066 4.855 ( 2.382 0.000 0.731) 2.492 4.881 ( 0.052 0.000 -1.804) 1.805 6.114 ( -4.455 0.000 9.561) 10.548 6.273 ( 0.677 0.000 2.414) 2.507 6.599 ( 0.113 0.000 2.563) 2.565 6.783 ( -0.688 0.000 -2.633) 2.721 6.924 ( -2.263 0.000 11.562) 11.781 7.013 ( -0.789 0.000 -2.313) 2.443 7.188 ( 3.480 0.000 2.138) 4.085 7.202 ( -1.644 0.000 3.950) 4.279 7.349 ( 2.441 0.000 -1.249) 2.742 7.628 ( -3.116 0.000 -1.309) 3.380 7.862 ( -5.681 0.000 -6.023) 8.280 7.906 ( 4.244 0.000 -2.184) 4.773 8.065 ( 4.895 0.000 -5.458) 7.332 8.450 ( -1.157 0.000 2.616) 2.860 8.555 ( -1.848 0.000 4.425) 4.795 8.563 ( 1.116 0.000 -0.647) 1.290 8.900 ( -1.782 0.000 2.257) 2.876 8.979 ( 0.650 0.000 -0.525) 0.836 9.096 ( 0.455 0.000 -2.084) 2.133 9.313 ( -0.114 0.000 -5.122) 5.123 9.390 ( 1.155 0.000 1.016) 1.538 9.488 ( -0.568 0.000 0.694) 0.897 9.574 ( -1.197 0.000 1.021) 1.573 9.872 ( 2.122 0.000 -4.721) 5.176 ======================= Grid point 68 (26/136) ======================= q-point: (-0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -17.129 0.000 4.797) 17.788 1.464 ( -12.703 0.000 3.408) 13.152 1.841 ( 5.678 0.000 2.281) 6.119 1.976 ( -6.202 0.000 0.434) 6.217 2.272 ( -0.762 0.000 7.584) 7.622 2.337 ( 0.323 0.000 -0.916) 0.972 2.507 ( 0.023 0.000 -3.420) 3.420 2.510 ( -4.968 0.000 5.314) 7.275 2.574 ( -2.196 0.000 -0.751) 2.320 2.703 ( 3.722 0.000 1.184) 3.905 2.733 ( -1.661 0.000 -2.980) 3.412 2.886 ( -7.994 0.000 2.702) 8.438 2.956 ( 5.526 0.000 6.514) 8.542 3.108 ( -7.112 0.000 -6.063) 9.346 3.181 ( 2.445 0.000 2.102) 3.225 3.444 ( 9.416 0.000 -2.133) 9.655 3.452 ( 0.668 0.000 1.250) 1.417 3.481 ( 0.665 0.000 -1.873) 1.988 3.711 ( 0.869 0.000 1.119) 1.417 3.856 ( 4.449 0.000 -0.623) 4.493 4.115 ( 9.684 0.000 -0.760) 9.714 4.336 ( -3.612 0.000 -5.872) 6.894 4.872 ( -0.390 0.000 -3.381) 3.404 4.913 ( 2.731 0.000 1.876) 3.313 6.053 ( -3.745 0.000 8.348) 9.149 6.262 ( -2.310 0.000 3.122) 3.884 6.600 ( -0.579 0.000 1.254) 1.381 6.749 ( -2.365 0.000 0.795) 2.495 6.898 ( -2.442 0.000 7.710) 8.088 7.008 ( 0.962 0.000 -2.959) 3.112 7.182 ( -1.112 0.000 3.047) 3.244 7.330 ( 9.336 0.000 4.575) 10.396 7.447 ( 7.088 0.000 0.089) 7.088 7.531 ( -5.303 0.000 -2.600) 5.906 7.714 ( -5.675 0.000 -4.903) 7.500 8.014 ( 4.838 0.000 -3.485) 5.963 8.147 ( 4.480 0.000 -4.078) 6.058 8.375 ( -5.900 0.000 3.847) 7.043 8.547 ( -0.678 0.000 3.499) 3.564 8.571 ( 0.765 0.000 -0.127) 0.776 8.918 ( 2.515 0.000 1.028) 2.717 9.006 ( 1.391 0.000 -2.180) 2.586 9.106 ( 0.806 0.000 -0.602) 1.005 9.278 ( -1.761 0.000 -5.400) 5.680 9.422 ( 1.655 0.000 1.538) 2.259 9.448 ( -3.378 0.000 1.407) 3.659 9.547 ( -1.440 0.000 -1.047) 1.780 9.912 ( 2.739 0.000 -3.464) 4.416 ======================= Grid point 69 (27/136) ======================= q-point: (-0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -21.475 0.000 4.489) 21.939 1.139 ( -20.399 0.000 8.421) 22.069 1.630 ( -27.051 0.000 13.142) 30.075 1.993 ( 8.449 0.000 1.099) 8.521 2.202 ( -5.074 0.000 4.599) 6.848 2.333 ( -0.771 0.000 -0.550) 0.947 2.513 ( 0.911 0.000 -2.586) 2.742 2.549 ( 0.232 0.000 -1.789) 1.804 2.556 ( 5.524 0.000 6.797) 8.759 2.683 ( -2.352 0.000 -5.721) 6.186 2.801 ( 5.624 0.000 -0.251) 5.630 2.810 ( -1.966 0.000 0.693) 2.084 2.984 ( -3.643 0.000 -2.681) 4.523 3.055 ( 1.724 0.000 6.009) 6.251 3.264 ( 5.922 0.000 -0.075) 5.922 3.388 ( -3.968 0.000 -3.564) 5.334 3.478 ( 1.539 0.000 2.291) 2.760 3.675 ( 9.050 0.000 -0.611) 9.071 3.725 ( 0.079 0.000 0.985) 0.988 3.914 ( 1.299 0.000 -3.896) 4.106 4.229 ( -5.591 0.000 -4.598) 7.239 4.333 ( 11.536 0.000 -1.475) 11.630 4.841 ( -1.737 0.000 -6.122) 6.364 4.961 ( 1.495 0.000 1.398) 2.046 6.014 ( -1.909 0.000 10.669) 10.838 6.208 ( -3.536 0.000 3.069) 4.682 6.567 ( -2.989 0.000 -1.356) 3.282 6.712 ( -1.680 0.000 6.926) 7.127 6.870 ( -1.580 0.000 2.829) 3.240 7.030 ( 1.707 0.000 -2.924) 3.386 7.175 ( -0.230 0.000 2.460) 2.470 7.432 ( -3.630 0.000 -0.158) 3.633 7.532 ( 5.324 0.000 1.241) 5.466 7.586 ( 6.674 0.000 -2.793) 7.234 7.670 ( 5.280 0.000 2.135) 5.696 8.064 ( 1.086 0.000 -2.542) 2.764 8.216 ( 1.833 0.000 -6.471) 6.726 8.272 ( -3.653 0.000 6.949) 7.850 8.541 ( -0.638 0.000 4.289) 4.336 8.620 ( 4.310 0.000 -0.744) 4.374 8.977 ( 2.718 0.000 -0.027) 2.718 8.989 ( -2.355 0.000 -5.154) 5.666 9.115 ( -0.264 0.000 0.349) 0.438 9.224 ( -2.731 0.000 -3.026) 4.076 9.388 ( -1.799 0.000 1.237) 2.183 9.457 ( 1.275 0.000 0.966) 1.600 9.509 ( -2.053 0.000 -2.087) 2.928 9.956 ( 2.133 0.000 -3.485) 4.086 ======================= Grid point 70 (28/136) ======================= q-point: (-0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -20.420 0.000 8.976) 22.306 0.736 ( -21.087 0.000 16.775) 26.946 1.118 ( -26.445 0.000 32.772) 42.111 2.130 ( -2.854 0.000 2.150) 3.573 2.156 ( 6.840 0.000 1.109) 6.930 2.298 ( -2.527 0.000 -0.351) 2.551 2.519 ( 0.346 0.000 -1.816) 1.849 2.571 ( 1.918 0.000 -2.013) 2.780 2.612 ( -2.835 0.000 -7.480) 7.999 2.685 ( 5.147 0.000 6.787) 8.518 2.783 ( -0.199 0.000 -0.447) 0.490 2.913 ( 5.118 0.000 -0.669) 5.161 2.947 ( -0.261 0.000 1.615) 1.636 3.062 ( -1.335 0.000 3.444) 3.694 3.314 ( -2.257 0.000 -2.329) 3.243 3.401 ( 6.742 0.000 0.320) 6.749 3.521 ( 2.009 0.000 1.981) 2.821 3.716 ( -1.113 0.000 -0.071) 1.116 3.807 ( 1.960 0.000 -3.077) 3.648 3.850 ( -5.265 0.000 -8.344) 9.866 4.101 ( -5.790 0.000 -2.629) 6.359 4.545 ( 9.566 0.000 -1.526) 9.687 4.767 ( -3.857 0.000 -8.322) 9.173 4.976 ( -0.220 0.000 -0.241) 0.326 6.096 ( 9.536 0.000 21.037) 23.098 6.148 ( -2.861 0.000 2.374) 3.717 6.497 ( -2.808 0.000 0.410) 2.838 6.716 ( -0.055 0.000 8.000) 8.000 6.853 ( -0.389 0.000 0.497) 0.631 7.054 ( 1.203 0.000 -2.795) 3.043 7.185 ( 0.662 0.000 1.635) 1.764 7.394 ( -0.724 0.000 3.695) 3.765 7.536 ( 0.248 0.000 -2.384) 2.396 7.738 ( 5.380 0.000 -3.103) 6.210 7.823 ( 5.898 0.000 2.057) 6.246 8.066 ( -0.121 0.000 -1.074) 1.080 8.142 ( -4.323 0.000 -0.541) 4.357 8.310 ( 2.279 0.000 -1.754) 2.876 8.550 ( 0.068 0.000 5.663) 5.663 8.721 ( 5.533 0.000 -2.393) 6.028 8.912 ( -3.029 0.000 -4.650) 5.549 9.016 ( 1.373 0.000 1.251) 1.857 9.076 ( -3.542 0.000 0.434) 3.569 9.170 ( -1.452 0.000 -0.539) 1.548 9.400 ( 2.152 0.000 1.067) 2.402 9.455 ( -2.606 0.000 -2.369) 3.522 9.471 ( 0.046 0.000 -0.536) 0.538 9.954 ( -2.346 0.000 -5.972) 6.417 ======================= Grid point 71 (29/136) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 4.980 20.932 14.993) 26.225 0.770 ( -1.186 19.680 17.138) 26.123 1.355 ( -1.167 36.778 26.646) 45.432 2.112 ( 0.005 1.368 1.146) 1.784 2.203 ( -4.224 -0.171 -2.164) 4.749 2.288 ( 2.832 -0.005 2.672) 3.894 2.483 ( -0.263 -2.738 -2.427) 3.668 2.538 ( -0.744 -2.483 -2.404) 3.535 2.580 ( -0.400 -0.059 -5.454) 5.469 2.769 ( 0.189 2.107 -1.059) 2.366 2.838 ( 2.685 -1.266 1.133) 3.177 2.938 ( 0.672 -1.911 2.606) 3.301 2.957 ( 0.194 -2.735 -0.265) 2.754 3.018 ( 0.822 -1.177 5.702) 5.880 3.302 ( 0.555 0.101 -1.402) 1.512 3.477 ( 1.582 -0.591 0.276) 1.711 3.570 ( -1.238 0.450 1.181) 1.769 3.641 ( -0.477 2.276 -0.084) 2.327 3.674 ( -2.114 -2.101 -2.568) 3.934 3.865 ( -0.258 0.261 -1.789) 1.827 3.985 ( 0.549 -4.163 -0.907) 4.296 4.573 ( -3.447 -8.664 -4.762) 10.470 4.678 ( 4.403 -0.380 -0.032) 4.419 4.950 ( -0.860 -1.031 -1.906) 2.331 6.077 ( -0.831 1.615 8.508) 8.700 6.512 ( 1.706 6.262 0.372) 6.501 6.698 ( 3.861 1.380 -0.690) 4.158 6.730 ( -0.244 -0.594 6.849) 6.879 6.800 ( -0.399 -2.060 1.165) 2.400 7.131 ( 4.919 2.929 0.711) 5.769 7.178 ( 0.962 -2.137 3.716) 4.393 7.369 ( 0.392 -2.462 2.986) 3.890 7.601 ( 0.094 3.811 -0.429) 3.836 7.744 ( -4.930 1.265 -3.959) 6.448 7.830 ( -1.289 -0.431 -0.562) 1.471 8.006 ( 0.226 -1.800 0.874) 2.014 8.180 ( -2.340 6.752 -2.182) 7.472 8.397 ( -5.721 6.252 -10.709) 13.656 8.486 ( 1.089 -1.245 0.621) 1.767 8.762 ( -0.040 -1.664 -5.491) 5.738 8.918 ( -1.236 -1.841 -0.593) 2.295 9.016 ( 3.421 -0.841 -0.208) 3.529 9.083 ( 2.891 -1.822 2.050) 3.985 9.196 ( 2.851 1.381 0.739) 3.253 9.369 ( -2.088 -2.853 -1.430) 3.814 9.400 ( 2.619 -3.104 -0.166) 4.065 9.525 ( -0.301 3.920 -0.939) 4.042 9.817 ( -3.520 0.354 -0.776) 3.622 ======================= Grid point 72 (30/136) ======================= q-point: ( 0.12 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 8.259 17.230 13.802) 23.571 0.946 ( 12.226 14.050 15.116) 23.987 1.638 ( 19.728 27.500 22.418) 40.596 2.089 ( -6.048 1.569 -1.531) 6.433 2.138 ( 1.664 2.559 -0.287) 3.066 2.336 ( 1.252 -1.840 2.129) 3.080 2.443 ( -3.310 -0.537 -4.523) 5.630 2.509 ( -0.609 -1.075 -2.124) 2.457 2.574 ( 0.164 -3.457 -0.002) 3.461 2.746 ( -1.395 2.963 -3.386) 4.711 2.856 ( -1.632 -4.525 0.184) 4.814 2.937 ( -1.320 -2.593 1.581) 3.311 2.980 ( 2.618 -0.477 1.323) 2.972 3.024 ( -2.097 -0.594 5.486) 5.904 3.330 ( 2.716 -2.716 -0.218) 3.848 3.435 ( -4.813 0.156 1.246) 4.975 3.497 ( -5.107 0.225 -0.200) 5.116 3.657 ( 0.646 -1.441 0.603) 1.690 3.704 ( 4.367 -1.119 -4.880) 6.644 3.825 ( -3.164 1.369 -1.618) 3.808 4.082 ( 7.778 -3.562 -2.527) 8.920 4.461 ( -6.347 -4.233 -4.444) 8.829 4.761 ( 3.314 -3.141 0.300) 4.575 4.914 ( -1.851 -0.189 -3.153) 3.661 6.086 ( 0.044 0.767 6.640) 6.685 6.541 ( -0.262 6.152 -0.780) 6.206 6.626 ( -7.274 1.358 5.068) 8.969 6.773 ( 2.475 -2.386 9.774) 10.361 6.819 ( 1.473 2.916 0.980) 3.411 7.153 ( -2.045 4.036 2.308) 5.079 7.204 ( -0.645 -0.070 7.433) 7.461 7.403 ( 1.882 -3.552 2.871) 4.939 7.589 ( -7.321 1.416 -7.737) 10.745 7.609 ( 0.646 2.819 0.385) 2.917 7.729 ( -7.319 0.238 -2.651) 7.788 8.018 ( -0.505 -0.108 -1.552) 1.635 8.135 ( 0.448 5.722 -2.937) 6.448 8.328 ( 1.055 3.515 -3.075) 4.788 8.512 ( 1.003 -1.049 0.637) 1.585 8.667 ( -5.803 0.389 -6.906) 9.029 8.954 ( 2.318 -6.117 2.687) 7.071 9.044 ( 0.077 -0.657 -2.881) 2.956 9.146 ( 3.196 -1.813 1.725) 4.059 9.248 ( 0.560 1.237 2.444) 2.796 9.339 ( -0.105 -2.129 -0.252) 2.146 9.429 ( 0.015 -0.442 -1.081) 1.168 9.535 ( 1.456 1.725 0.052) 2.258 9.801 ( 1.440 -1.046 -5.099) 5.400 ======================= Grid point 73 (31/136) ======================= q-point: ( 0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 14.770 10.413 8.543) 19.989 1.269 ( 15.506 6.809 10.729) 20.048 1.947 ( -7.099 3.671 -2.388) 8.342 2.096 ( 17.285 11.970 16.474) 26.711 2.179 ( 1.791 4.129 0.289) 4.510 2.319 ( -4.540 0.118 -4.233) 6.208 2.371 ( -0.073 0.453 0.958) 1.062 2.500 ( 0.078 -2.517 -1.566) 2.965 2.596 ( 1.945 -3.890 3.349) 5.489 2.715 ( -1.181 1.433 -3.076) 3.593 2.779 ( -4.121 -1.957 -2.303) 5.110 2.903 ( -2.468 -1.624 1.440) 3.287 2.955 ( -4.358 -0.182 4.800) 6.485 3.077 ( 5.077 -1.180 1.293) 5.370 3.313 ( -5.442 -0.053 1.139) 5.560 3.362 ( -1.265 -4.466 0.131) 4.644 3.481 ( 3.756 -0.626 0.514) 3.842 3.654 ( -1.268 -0.415 -0.192) 1.347 3.737 ( -3.121 2.595 -0.248) 4.066 3.751 ( -0.230 0.802 -5.362) 5.427 4.227 ( 5.539 -3.311 -3.783) 7.480 4.301 ( -7.425 -0.089 -3.537) 8.225 4.804 ( 0.949 -3.012 -1.022) 3.319 4.875 ( -0.814 -0.229 -2.371) 2.517 6.114 ( 0.950 -0.275 6.516) 6.590 6.431 ( -7.062 6.821 5.862) 11.435 6.609 ( 1.563 4.061 0.351) 4.365 6.839 ( 1.139 -0.646 0.315) 1.347 6.856 ( 1.734 3.738 11.243) 11.974 7.106 ( -2.630 3.329 1.612) 4.538 7.195 ( -2.048 -2.354 6.494) 7.204 7.355 ( -6.335 0.802 -3.756) 7.409 7.513 ( -5.635 0.568 -2.031) 6.017 7.539 ( 1.170 -0.323 1.463) 1.901 7.695 ( 3.319 0.651 -0.300) 3.395 7.986 ( -0.791 1.939 -6.340) 6.677 8.174 ( 1.335 2.806 -0.561) 3.157 8.348 ( 0.987 -1.315 -0.461) 1.708 8.508 ( -0.859 0.324 -2.460) 2.626 8.581 ( -0.928 0.486 -0.726) 1.275 8.963 ( -2.527 -7.830 3.840) 9.080 9.040 ( 0.122 0.982 -3.104) 3.257 9.181 ( 0.344 -2.473 -2.215) 3.338 9.231 ( -1.718 1.902 1.073) 2.779 9.367 ( 1.728 -1.184 0.408) 2.134 9.438 ( 1.787 1.295 0.557) 2.276 9.564 ( 0.983 0.012 0.918) 1.345 9.811 ( 0.924 -2.956 -6.818) 7.488 ======================= Grid point 74 (32/136) ======================= q-point: ( 0.38 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 13.477 5.965 5.946) 15.892 1.582 ( 12.894 2.730 6.560) 14.722 1.809 ( -5.723 4.890 -1.010) 7.595 2.121 ( -7.631 4.204 0.792) 8.748 2.243 ( -2.271 -2.887 -1.208) 3.867 2.264 ( 1.146 -1.959 2.651) 3.490 2.455 ( 2.275 -1.902 1.728) 3.432 2.526 ( 2.983 -0.600 -0.306) 3.058 2.637 ( -3.230 -2.067 -1.046) 3.975 2.652 ( 1.798 -2.986 2.442) 4.256 2.774 ( -1.037 1.608 2.151) 2.879 2.858 ( -0.421 2.199 1.161) 2.522 2.927 ( 3.526 2.458 2.858) 5.161 3.137 ( -0.504 -4.122 1.091) 4.294 3.260 ( 0.749 0.743 -0.312) 1.099 3.346 ( 0.166 -3.318 -0.306) 3.337 3.552 ( -0.255 1.561 1.736) 2.349 3.600 ( -2.826 4.842 0.245) 5.611 3.677 ( -0.305 1.095 -0.830) 1.407 3.747 ( 0.469 2.393 -3.258) 4.069 4.092 ( -8.614 2.295 -2.905) 9.376 4.341 ( 3.616 -3.384 -4.007) 6.371 4.806 ( 0.329 -1.947 -1.515) 2.489 4.872 ( 0.364 -0.982 -1.038) 1.475 6.143 ( -0.324 -0.266 7.962) 7.973 6.343 ( -2.898 6.468 3.986) 8.132 6.642 ( 1.359 4.549 0.928) 4.838 6.849 ( 0.235 3.747 -1.299) 3.973 6.896 ( -0.595 -0.316 9.253) 9.277 7.059 ( -2.524 0.948 2.118) 3.428 7.161 ( -1.889 -1.413 3.881) 4.542 7.262 ( -2.454 2.635 1.060) 3.754 7.382 ( -4.025 1.653 -2.202) 4.877 7.612 ( 2.096 -2.255 2.326) 3.858 7.773 ( 4.391 -1.125 -1.561) 4.794 7.951 ( -1.917 -0.688 -6.473) 6.786 8.142 ( -1.524 6.198 -5.082) 8.158 8.402 ( 3.811 -3.274 2.237) 5.500 8.512 ( 0.700 -0.193 0.219) 0.758 8.573 ( -0.237 0.657 0.869) 1.115 8.886 ( -5.248 -5.753 3.228) 8.430 9.032 ( 0.069 1.617 -2.857) 3.283 9.152 ( -1.972 2.364 -0.440) 3.110 9.228 ( 1.144 -4.182 -2.623) 5.067 9.386 ( 0.353 -0.039 -0.644) 0.736 9.487 ( 1.998 0.700 1.760) 2.753 9.574 ( -0.147 -0.722 0.505) 0.894 9.812 ( 1.097 -3.601 -5.873) 6.976 ======================= Grid point 75 (33/136) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -3.046 3.378 3.236) 5.582 1.710 ( -1.447 4.802 1.859) 5.349 1.785 ( 0.508 4.537 3.046) 5.488 2.025 ( 1.800 5.251 1.520) 5.755 2.178 ( -2.611 -9.004 1.259) 9.459 2.300 ( 2.082 -0.133 1.346) 2.483 2.454 ( -1.360 -5.895 -1.516) 6.237 2.522 ( -0.461 -1.461 -1.804) 2.367 2.642 ( 1.146 1.533 -0.604) 2.007 2.692 ( 1.845 -5.450 3.836) 6.916 2.716 ( -2.822 0.515 1.950) 3.468 2.853 ( 0.156 2.774 0.589) 2.841 3.001 ( -2.065 -4.784 3.008) 6.016 3.162 ( -0.945 -0.494 -0.470) 1.165 3.262 ( 3.703 -2.787 -1.342) 4.825 3.403 ( 4.050 7.562 1.158) 8.656 3.429 ( -7.703 7.874 1.873) 11.173 3.574 ( -1.550 2.244 -1.559) 3.141 3.715 ( 1.623 0.637 0.175) 1.753 3.762 ( 1.763 2.325 -1.460) 3.263 4.007 ( 2.370 1.942 -0.528) 3.109 4.360 ( -0.476 -3.285 -4.911) 5.928 4.829 ( 2.196 -2.137 0.279) 3.077 4.871 ( -0.300 -1.219 -1.466) 1.929 6.131 ( -2.734 1.856 8.625) 9.236 6.326 ( -0.103 4.830 2.594) 5.484 6.664 ( 0.503 4.926 1.631) 5.214 6.840 ( -0.988 4.955 -1.653) 5.316 6.888 ( -1.806 -1.968 6.276) 6.821 7.017 ( -1.881 -0.196 1.611) 2.485 7.157 ( -0.171 -1.858 5.552) 5.857 7.252 ( 1.579 4.047 2.379) 4.953 7.361 ( 2.256 1.096 -0.672) 2.596 7.606 ( -2.673 -1.709 -0.808) 3.274 7.800 ( -3.785 -5.039 -5.522) 8.379 7.923 ( 3.848 1.999 -2.563) 5.038 8.154 ( 3.395 6.603 -5.651) 9.330 8.475 ( 2.053 -3.173 3.419) 5.096 8.483 ( -3.798 -1.226 2.656) 4.794 8.586 ( 0.676 2.036 -0.872) 2.316 8.815 ( -1.360 -5.268 2.786) 6.113 9.036 ( 1.063 2.684 -2.709) 3.958 9.122 ( -0.821 2.000 -0.560) 2.233 9.246 ( 1.076 -4.853 -2.803) 5.706 9.378 ( -1.071 -0.797 -0.949) 1.638 9.510 ( -0.323 0.324 2.528) 2.569 9.565 ( -0.454 -0.356 -1.377) 1.493 9.832 ( 2.164 -3.622 -4.135) 5.907 ======================= Grid point 76 (34/136) ======================= q-point: (-0.38 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -14.798 5.053 2.623) 15.856 1.536 ( -14.413 6.314 4.831) 16.460 1.841 ( 4.082 0.801 1.597) 4.456 2.011 ( -3.896 2.003 -0.862) 4.465 2.233 ( 3.537 -2.341 3.308) 5.379 2.367 ( 3.685 2.267 2.839) 5.175 2.421 ( -0.676 -4.515 -0.853) 4.644 2.527 ( 0.919 -0.900 0.568) 1.406 2.645 ( -4.976 5.476 1.619) 7.574 2.682 ( 1.300 -0.736 -1.551) 2.153 2.713 ( 0.342 -3.824 0.863) 3.935 2.895 ( 3.088 -0.890 1.127) 3.405 2.913 ( -4.276 -0.585 1.518) 4.576 3.103 ( -2.754 -2.189 -1.422) 3.794 3.212 ( -4.989 4.413 0.982) 6.733 3.387 ( 0.236 -3.004 -0.712) 3.096 3.529 ( -0.127 2.610 0.771) 2.725 3.560 ( 7.588 7.904 -0.474) 10.967 3.712 ( -0.671 0.513 1.194) 1.463 3.819 ( 3.190 -3.435 -1.414) 4.896 4.149 ( 9.878 3.498 -0.312) 10.484 4.306 ( -3.498 -3.017 -4.883) 6.722 4.846 ( -1.673 -2.316 -2.895) 4.067 4.885 ( 2.731 -2.484 1.484) 3.979 6.090 ( -3.111 3.411 8.444) 9.624 6.334 ( 0.093 6.139 2.510) 6.633 6.667 ( -0.692 4.808 1.184) 4.999 6.799 ( -2.890 4.786 1.087) 5.695 6.860 ( -2.369 -2.495 4.153) 5.393 7.001 ( 0.271 -0.898 -1.172) 1.501 7.157 ( -0.901 -2.499 4.312) 5.065 7.356 ( 7.049 2.882 4.185) 8.690 7.458 ( 6.829 0.823 0.381) 6.889 7.532 ( -3.146 0.267 -0.632) 3.220 7.683 ( -4.757 -2.596 -5.776) 7.920 8.017 ( 4.421 0.453 -2.330) 5.018 8.221 ( 4.357 6.032 -4.420) 8.655 8.397 ( -5.107 0.711 3.001) 5.966 8.491 ( -0.549 -3.154 3.005) 4.390 8.597 ( 1.234 1.736 -0.436) 2.174 8.843 ( 2.420 -5.286 1.809) 6.089 9.056 ( 1.292 2.872 -3.548) 4.744 9.114 ( -0.023 0.702 -0.079) 0.707 9.249 ( 0.026 -3.277 -4.261) 5.376 9.339 ( -2.673 -3.474 0.188) 4.388 9.493 ( -1.498 -0.063 2.504) 2.918 9.553 ( -0.263 1.298 -2.314) 2.666 9.874 ( 2.637 -3.416 -2.716) 5.099 ======================= Grid point 77 (35/136) ======================= q-point: (-0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -19.335 7.877 2.072) 20.980 1.212 ( -18.462 8.353 10.442) 22.796 1.797 ( -11.800 11.132 6.714) 17.557 2.025 ( 6.154 4.477 1.136) 7.694 2.248 ( -2.310 1.977 2.128) 3.711 2.338 ( -4.301 1.420 1.706) 4.840 2.458 ( 1.529 -2.601 -0.383) 3.041 2.530 ( -1.968 -1.183 -0.438) 2.337 2.606 ( 4.786 2.902 4.806) 7.377 2.667 ( -1.022 -1.724 -6.442) 6.746 2.773 ( 3.705 -1.535 -1.458) 4.267 2.861 ( -0.699 3.333 1.535) 3.736 2.950 ( 0.320 -1.430 0.965) 1.755 3.049 ( -2.332 -0.841 2.370) 3.430 3.222 ( 5.592 -2.945 -1.025) 6.403 3.356 ( -2.443 -2.677 -2.065) 4.171 3.524 ( 0.561 2.778 2.268) 3.630 3.705 ( 0.170 -0.970 1.981) 2.212 3.717 ( 5.627 3.078 -0.931) 6.481 3.856 ( 0.566 -4.414 -2.919) 5.322 4.202 ( -5.686 -3.009 -3.877) 7.511 4.351 ( 9.827 1.276 -1.133) 9.974 4.785 ( -3.481 -4.070 -4.331) 6.888 4.935 ( 1.742 -2.453 0.865) 3.130 6.060 ( -1.848 4.162 9.847) 10.849 6.354 ( 2.000 10.540 1.421) 10.822 6.636 ( -2.620 5.265 -0.289) 5.888 6.749 ( -2.318 3.582 6.532) 7.802 6.816 ( -2.283 -3.993 0.415) 4.619 7.017 ( 1.630 -1.175 -2.918) 3.543 7.153 ( -0.418 -2.102 3.442) 4.055 7.412 ( -2.371 -0.772 1.328) 2.825 7.565 ( 2.712 2.607 -0.385) 3.781 7.618 ( 7.220 2.563 -0.246) 7.665 7.643 ( 6.091 -2.122 1.207) 6.562 8.058 ( 0.054 -0.411 -1.355) 1.417 8.298 ( -1.156 5.449 -4.164) 6.954 8.315 ( 2.215 4.425 2.062) 5.361 8.496 ( 0.139 -3.109 3.808) 4.918 8.641 ( 3.542 1.239 -1.647) 4.098 8.889 ( 1.517 -5.198 1.188) 5.543 9.044 ( -1.726 2.219 -4.971) 5.711 9.111 ( -0.638 -0.330 -0.207) 0.748 9.222 ( -2.247 -0.044 -2.778) 3.573 9.297 ( -0.051 -6.263 0.249) 6.268 9.471 ( -1.346 -1.059 0.452) 1.772 9.542 ( -0.303 3.177 -1.290) 3.442 9.913 ( 1.458 -3.534 -2.184) 4.403 ======================= Grid point 78 (36/136) ======================= q-point: (-0.12 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -11.818 16.802 8.042) 22.060 0.900 ( -14.469 15.062 14.708) 25.545 1.515 ( -16.742 29.780 19.233) 39.205 2.118 ( 0.595 1.562 1.358) 2.154 2.222 ( 1.808 3.413 2.320) 4.505 2.275 ( -2.826 -1.627 -0.623) 3.320 2.483 ( 0.881 -2.791 -1.653) 3.361 2.526 ( 1.364 -4.210 -1.761) 4.763 2.621 ( -1.487 0.179 -7.676) 7.821 2.719 ( 4.387 2.619 4.464) 6.785 2.799 ( 0.405 0.998 -2.884) 3.078 2.897 ( 2.732 -0.521 1.869) 3.351 2.952 ( 0.146 0.146 1.241) 1.258 3.014 ( -1.688 -2.576 3.910) 4.978 3.300 ( -0.639 -1.551 -1.565) 2.294 3.377 ( 7.170 -2.067 -0.467) 7.477 3.554 ( 1.546 2.225 1.833) 3.271 3.696 ( -1.034 -1.502 0.373) 1.861 3.749 ( -4.371 -3.578 -2.257) 6.083 3.850 ( 1.548 0.660 -2.838) 3.300 4.067 ( -6.501 -3.552 -2.175) 7.721 4.524 ( 7.550 -3.579 -1.485) 8.486 4.694 ( -4.037 -3.687 -4.607) 7.149 4.957 ( 0.391 -1.969 -0.368) 2.041 6.066 ( -0.499 2.996 11.022) 11.433 6.444 ( 6.282 11.920 -0.286) 13.477 6.596 ( 0.708 7.969 1.273) 8.101 6.734 ( -1.521 1.049 7.141) 7.376 6.790 ( 0.205 -4.402 -0.222) 4.413 7.049 ( 2.585 -0.477 -3.001) 3.989 7.159 ( 0.145 -1.867 3.874) 4.303 7.373 ( -1.497 -1.360 2.405) 3.143 7.577 ( 1.391 3.116 -1.115) 3.590 7.759 ( 4.501 1.967 -1.540) 5.148 7.790 ( 5.109 -1.440 1.943) 5.653 8.030 ( -2.153 -1.460 0.279) 2.617 8.231 ( -2.710 5.941 -0.497) 6.549 8.413 ( 4.983 6.531 -7.132) 10.879 8.504 ( -0.903 -2.957 3.739) 4.852 8.718 ( 4.123 -0.939 -4.063) 5.864 8.926 ( 3.150 -1.145 1.640) 3.731 8.981 ( -2.954 -0.766 -2.943) 4.240 9.070 ( -2.783 -0.848 0.179) 2.915 9.182 ( -0.589 0.799 -0.832) 1.295 9.335 ( 2.887 -4.775 -0.138) 5.582 9.431 ( -2.481 -1.861 -1.614) 3.496 9.535 ( -0.319 4.053 -0.676) 4.121 9.902 ( -2.541 -3.358 -2.170) 4.737 ======================= Grid point 79 (37/136) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 1.448 20.348 10.430) 22.911 1.244 ( 1.521 23.786 6.856) 24.801 2.011 ( 2.274 9.584 6.969) 12.067 2.154 ( -1.881 1.996 1.865) 3.317 2.256 ( -0.940 13.877 2.965) 14.221 2.315 ( -0.352 2.927 0.254) 2.959 2.412 ( -0.604 -1.519 -1.094) 1.967 2.451 ( 0.404 -2.898 -0.066) 2.927 2.581 ( 0.086 -1.498 -7.567) 7.715 2.790 ( -0.987 -2.018 -0.195) 2.255 2.809 ( 1.229 1.101 -3.725) 4.074 2.910 ( -0.664 -0.956 0.500) 1.267 2.937 ( 1.321 1.917 1.863) 2.982 3.046 ( -0.854 3.471 4.992) 6.140 3.279 ( 0.185 -1.982 -1.153) 2.300 3.475 ( 3.898 0.478 0.447) 3.952 3.581 ( -1.925 0.583 0.971) 2.233 3.614 ( -2.616 -2.692 -0.914) 3.863 3.685 ( -0.082 1.338 0.211) 1.357 3.864 ( 0.169 -0.793 -1.516) 1.719 3.869 ( -0.013 -6.556 0.490) 6.574 4.305 ( -0.935 -16.367 -1.713) 16.483 4.700 ( 1.250 1.899 0.065) 2.275 4.901 ( -0.128 -3.464 -0.749) 3.547 6.163 ( -1.155 5.744 7.136) 9.233 6.612 ( -0.168 -7.215 3.687) 8.104 6.653 ( 1.309 3.544 2.106) 4.325 6.683 ( -0.922 0.892 -1.852) 2.253 6.845 ( 1.829 2.766 6.285) 7.107 7.103 ( 2.040 -3.991 7.089) 8.387 7.202 ( 2.255 4.730 2.482) 5.798 7.346 ( 0.060 0.385 1.006) 1.079 7.660 ( 0.535 1.532 -1.876) 2.481 7.796 ( -4.436 3.032 -1.403) 5.553 7.835 ( -1.109 0.189 -1.378) 1.779 7.956 ( -0.316 -3.533 2.374) 4.269 8.336 ( -1.280 7.706 -4.187) 8.863 8.420 ( -3.134 0.739 -3.118) 4.482 8.555 ( 0.937 3.936 -9.307) 10.148 8.707 ( 0.748 -3.519 -5.362) 6.457 8.829 ( -3.157 -4.155 2.244) 5.681 9.022 ( 3.145 -0.560 0.647) 3.260 9.047 ( 1.855 -1.076 -0.754) 2.273 9.197 ( 1.494 -1.869 0.960) 2.579 9.292 ( 1.225 -3.170 -0.205) 3.404 9.346 ( 0.453 -2.321 -0.345) 2.390 9.615 ( -0.604 4.597 -1.406) 4.845 9.815 ( -1.653 -0.796 -1.116) 2.147 ======================= Grid point 80 (38/136) ======================= q-point: ( 0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 7.237 18.157 10.067) 21.986 1.313 ( 3.191 21.044 8.132) 22.785 2.078 ( 0.540 -0.807 5.940) 6.019 2.153 ( 2.426 8.826 -0.199) 9.155 2.278 ( 0.266 2.095 1.423) 2.546 2.309 ( 0.893 5.777 2.651) 6.418 2.409 ( 0.452 4.074 -1.274) 4.293 2.453 ( 0.231 -3.432 -0.661) 3.503 2.546 ( -1.341 1.472 -4.863) 5.255 2.760 ( -2.190 -2.721 -0.078) 3.494 2.812 ( 0.510 1.886 -4.869) 5.246 2.885 ( -1.967 -2.155 1.514) 3.287 2.989 ( 2.226 2.088 2.339) 3.845 3.034 ( -0.822 2.679 3.559) 4.530 3.267 ( -0.286 -3.334 -1.391) 3.624 3.435 ( -6.046 -0.101 3.312) 6.895 3.487 ( -5.955 -1.581 -1.148) 6.267 3.621 ( 3.424 -0.494 0.503) 3.496 3.702 ( 0.424 -0.278 -0.993) 1.115 3.852 ( 0.197 1.034 -1.221) 1.612 3.986 ( 8.020 -5.266 -0.765) 9.625 4.292 ( -0.212 -12.282 -2.701) 12.577 4.730 ( 1.442 0.425 0.844) 1.724 4.884 ( -1.245 -2.486 -1.391) 3.109 6.159 ( -0.720 5.502 6.302) 8.397 6.576 ( -3.711 -5.099 1.085) 6.399 6.676 ( 1.125 4.188 -1.456) 4.574 6.719 ( 3.376 0.677 6.859) 7.675 6.910 ( 2.668 3.314 7.166) 8.333 7.140 ( -0.281 -3.854 9.050) 9.841 7.236 ( -0.887 3.528 4.671) 5.921 7.363 ( 1.306 0.489 0.123) 1.400 7.603 ( -5.776 -0.037 -6.526) 8.715 7.709 ( -2.155 3.405 1.768) 4.400 7.739 ( -6.841 1.965 -2.378) 7.504 7.977 ( 1.757 -3.426 1.542) 4.147 8.281 ( -2.849 7.190 -7.787) 10.975 8.362 ( -1.209 1.105 -2.353) 2.867 8.550 ( 0.437 3.191 -5.463) 6.342 8.646 ( -3.724 -2.351 -7.334) 8.555 8.812 ( -0.201 -5.424 4.244) 6.890 9.063 ( 0.434 0.393 -2.065) 2.147 9.090 ( 2.147 -2.926 -0.274) 3.639 9.237 ( 2.300 -2.281 1.018) 3.396 9.303 ( 0.736 -0.797 1.979) 2.256 9.389 ( 2.285 -2.738 1.020) 3.709 9.595 ( -0.739 3.763 -1.961) 4.307 9.781 ( -1.265 -1.188 -3.191) 3.632 ======================= Grid point 81 (39/136) ======================= q-point: ( 0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 7.520 14.704 5.685) 17.467 1.485 ( 9.660 13.545 8.128) 18.516 2.039 ( -4.295 4.352 0.473) 6.133 2.208 ( 0.320 1.574 2.346) 2.843 2.257 ( -0.731 -2.028 0.689) 2.263 2.351 ( 2.010 -6.056 4.814) 7.993 2.363 ( -4.779 2.745 -4.902) 7.376 2.438 ( -1.661 -3.038 -3.100) 4.648 2.576 ( 2.523 4.639 0.681) 5.324 2.706 ( -2.024 2.144 -0.831) 3.063 2.834 ( -3.513 -2.501 1.912) 4.717 2.839 ( 4.058 2.843 -1.636) 5.218 2.969 ( -2.043 0.274 0.648) 2.160 3.086 ( 1.252 4.048 3.264) 5.348 3.250 ( -0.764 -5.169 -3.282) 6.170 3.330 ( -3.151 1.225 3.592) 4.933 3.443 ( 1.308 -2.993 1.741) 3.701 3.669 ( 0.076 1.556 -0.013) 1.558 3.712 ( 3.056 -1.679 -3.015) 4.609 3.846 ( -1.262 5.555 1.063) 5.795 4.133 ( 6.407 -5.703 -1.748) 8.753 4.264 ( -2.297 -4.375 -3.193) 5.883 4.755 ( 0.788 -1.107 0.214) 1.376 4.852 ( -1.273 -1.816 -1.301) 2.572 6.168 ( 0.045 4.847 6.018) 7.727 6.498 ( -3.888 -0.695 1.903) 4.384 6.710 ( 2.262 5.428 -0.541) 5.905 6.799 ( 2.812 -0.284 5.846) 6.493 6.967 ( 0.617 3.188 7.048) 7.760 7.141 ( -1.690 -3.273 8.747) 9.491 7.175 ( -5.333 3.708 3.809) 7.530 7.370 ( -1.583 1.424 -3.871) 4.418 7.502 ( -1.311 -0.778 -1.659) 2.253 7.599 ( -4.964 4.984 -0.110) 7.035 7.700 ( -0.163 -0.659 1.516) 1.661 8.013 ( 1.034 0.534 -1.258) 1.714 8.230 ( 0.364 0.617 -5.700) 5.744 8.315 ( -3.321 0.668 -2.925) 4.476 8.546 ( 0.200 2.162 -2.552) 3.351 8.588 ( -0.079 0.073 -4.413) 4.415 8.810 ( -1.342 -5.707 4.538) 7.413 9.055 ( -0.904 -2.189 -1.373) 2.737 9.109 ( 1.164 -1.064 -3.953) 4.256 9.268 ( -0.457 0.559 0.842) 1.109 9.338 ( 2.258 -1.250 1.505) 2.987 9.432 ( 1.742 -1.791 2.534) 3.558 9.579 ( -0.429 1.626 -2.051) 2.652 9.747 ( -1.044 -3.017 -4.896) 5.845 ======================= Grid point 82 (40/136) ======================= q-point: ( 0.38 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 10.830 7.251 2.628) 13.296 1.682 ( 7.784 8.535 5.643) 12.855 1.939 ( -4.902 7.362 -0.246) 8.848 2.140 ( -6.155 -5.321 3.218) 8.749 2.223 ( -6.636 4.380 -4.499) 9.136 2.284 ( 1.225 1.629 0.280) 2.057 2.376 ( -1.802 -5.122 -0.291) 5.437 2.437 ( 3.147 -8.861 3.753) 10.125 2.551 ( -2.930 -0.693 -1.729) 3.472 2.691 ( -0.276 2.995 -2.437) 3.871 2.775 ( -1.925 -0.413 0.774) 2.115 2.928 ( -0.067 2.676 0.511) 2.726 2.974 ( 3.658 1.938 4.343) 6.000 3.049 ( -1.761 -3.744 0.839) 4.222 3.208 ( -2.895 -4.388 -2.475) 5.810 3.376 ( 4.976 4.191 0.161) 6.508 3.498 ( 2.333 -4.708 3.418) 6.268 3.666 ( 0.827 -0.214 -2.447) 2.592 3.787 ( -0.783 5.517 1.543) 5.782 3.820 ( 3.684 8.780 0.375) 9.529 4.158 ( -5.365 2.406 -3.005) 6.603 4.242 ( 2.942 -5.560 -1.749) 6.529 4.762 ( 0.205 -1.938 -0.828) 2.117 4.837 ( -0.180 -2.346 -0.620) 2.433 6.187 ( 0.135 4.191 6.352) 7.612 6.442 ( -2.139 2.008 2.409) 3.796 6.751 ( 1.588 6.125 -0.028) 6.327 6.858 ( 1.614 0.367 4.473) 4.769 6.956 ( -2.219 2.002 3.187) 4.369 7.079 ( -4.694 1.506 4.653) 6.779 7.127 ( -1.799 -2.360 6.901) 7.512 7.332 ( 0.066 3.343 -2.575) 4.220 7.444 ( -3.762 3.321 -0.153) 5.021 7.596 ( 1.583 3.164 2.491) 4.327 7.692 ( -0.802 -6.804 -1.114) 6.941 8.004 ( -0.612 5.679 -4.379) 7.197 8.253 ( -0.426 -3.088 -2.111) 3.764 8.264 ( 2.401 -1.744 -1.953) 3.552 8.544 ( -0.024 2.169 -0.486) 2.223 8.601 ( 1.591 0.982 -1.515) 2.407 8.775 ( -3.166 -3.917 3.468) 6.115 9.035 ( -0.273 -3.815 -1.791) 4.223 9.124 ( 1.227 0.528 -4.237) 4.443 9.242 ( -1.665 2.390 0.522) 2.960 9.371 ( 0.597 -1.218 -0.090) 1.360 9.469 ( 0.933 -2.266 3.349) 4.150 9.567 ( -0.127 0.135 -2.675) 2.682 9.724 ( 0.215 -4.541 -4.690) 6.532 ======================= Grid point 83 (41/136) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -2.733 7.232 1.473) 7.870 1.817 ( 2.134 5.869 2.583) 6.759 1.900 ( -0.614 4.833 -0.188) 4.876 2.001 ( -4.593 -4.945 4.024) 7.857 2.133 ( 0.862 3.946 -3.534) 5.367 2.296 ( 0.283 -2.437 -1.068) 2.676 2.349 ( -0.411 -3.193 0.439) 3.249 2.495 ( 0.046 -5.079 3.002) 5.900 2.526 ( 2.567 -3.354 -0.446) 4.247 2.677 ( 0.085 1.375 -2.325) 2.702 2.773 ( 1.544 2.600 -0.541) 3.072 2.901 ( -2.985 2.053 1.418) 3.890 2.952 ( -2.099 0.773 3.871) 4.471 3.118 ( -0.990 -3.075 -0.410) 3.256 3.156 ( 2.874 -6.496 -1.475) 7.254 3.451 ( 1.529 0.335 0.022) 1.566 3.535 ( 0.434 -3.444 2.639) 4.360 3.691 ( 1.755 -0.155 -0.881) 1.970 3.720 ( -3.042 10.677 1.507) 11.204 3.907 ( -1.868 10.291 -0.844) 10.494 4.086 ( 3.769 4.956 0.081) 6.227 4.267 ( -0.339 -5.390 -2.617) 6.001 4.777 ( 1.598 -2.720 0.104) 3.157 4.827 ( -0.930 -3.054 -1.300) 3.447 6.196 ( -0.952 4.530 6.974) 8.370 6.429 ( 0.253 3.372 2.759) 4.364 6.765 ( -0.589 5.030 0.009) 5.065 6.864 ( -1.463 0.757 3.909) 4.242 6.949 ( 1.082 3.261 -0.601) 3.488 7.008 ( -3.654 0.735 4.647) 5.957 7.100 ( -2.315 -3.933 5.614) 7.235 7.370 ( 3.968 3.814 -0.462) 5.523 7.400 ( -0.291 4.297 1.866) 4.693 7.597 ( -1.594 2.829 0.575) 3.298 7.663 ( -1.863 -8.119 -3.381) 8.990 7.998 ( 1.400 4.991 -3.076) 6.028 8.274 ( 3.050 1.940 -3.246) 4.858 8.304 ( 0.925 -6.833 2.089) 7.205 8.542 ( -0.452 2.937 0.901) 3.105 8.630 ( 1.067 1.200 -1.528) 2.217 8.718 ( -2.027 -2.890 2.610) 4.390 9.040 ( 1.136 -4.645 -1.633) 5.053 9.133 ( 0.635 1.637 -4.330) 4.673 9.215 ( -1.134 1.874 0.131) 2.195 9.359 ( -1.713 -0.987 -0.972) 2.203 9.476 ( -0.887 -2.942 2.420) 3.911 9.567 ( 0.875 0.203 -2.760) 2.903 9.739 ( 2.172 -5.038 -2.972) 6.239 ======================= Grid point 84 (42/136) ======================= q-point: (-0.38 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -12.249 7.827 0.625) 14.549 1.697 ( -12.559 8.935 5.659) 16.420 1.894 ( 2.951 4.319 -0.508) 5.256 2.027 ( 3.898 -0.619 -1.478) 4.215 2.220 ( 2.690 -0.124 -0.014) 2.693 2.302 ( 0.838 -5.563 -0.416) 5.641 2.366 ( 2.585 -3.195 -0.624) 4.157 2.536 ( 3.210 -1.716 2.893) 4.650 2.579 ( 3.158 -2.592 -2.271) 4.674 2.699 ( 2.572 1.090 -1.324) 3.091 2.800 ( -4.234 9.123 5.366) 11.400 2.847 ( 2.747 -2.311 -2.211) 4.216 2.941 ( -0.124 2.197 1.129) 2.473 3.052 ( -3.085 -2.806 -0.291) 4.180 3.225 ( 2.010 -5.382 -2.203) 6.153 3.408 ( -6.776 5.718 1.974) 9.083 3.507 ( -1.764 -5.121 4.033) 6.753 3.712 ( 0.479 0.229 -1.524) 1.614 3.744 ( 3.969 4.788 0.432) 6.234 3.812 ( -4.062 7.535 0.309) 8.565 4.216 ( -3.229 -4.502 -2.783) 6.200 4.237 ( 6.953 2.999 0.409) 7.583 4.783 ( -2.538 -3.523 -1.314) 4.536 4.825 ( 2.427 -3.033 -0.004) 3.885 6.185 ( -1.765 5.659 7.528) 9.582 6.461 ( 2.148 4.203 3.043) 5.616 6.724 ( -2.991 1.158 -0.045) 3.208 6.844 ( -2.269 1.725 3.788) 4.740 6.933 ( -3.535 6.345 0.995) 7.331 6.975 ( 0.703 -0.938 -1.720) 2.082 7.085 ( -0.119 -3.880 5.290) 6.562 7.452 ( 4.416 2.279 3.137) 5.877 7.476 ( 5.533 3.245 -0.961) 6.486 7.551 ( -2.254 1.837 2.325) 3.723 7.619 ( -0.354 -2.327 -3.892) 4.548 8.032 ( 1.542 0.203 -1.124) 1.919 8.325 ( 1.356 -4.996 3.614) 6.314 8.342 ( 4.065 4.435 -3.467) 6.944 8.514 ( -2.284 3.575 -0.292) 4.252 8.633 ( 0.489 1.113 -1.923) 2.275 8.735 ( 2.019 -4.048 3.236) 5.562 9.069 ( 1.926 -4.796 -0.573) 5.200 9.127 ( -0.040 2.114 -5.315) 5.720 9.187 ( -1.744 -0.376 -1.328) 2.224 9.300 ( -3.623 -0.749 -1.413) 3.960 9.457 ( -1.254 -2.842 0.771) 3.201 9.584 ( 1.298 1.428 -1.507) 2.449 9.787 ( 2.868 -4.692 -1.459) 5.689 ======================= Grid point 85 (43/136) ======================= q-point: (-0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -11.807 13.958 1.540) 18.347 1.459 ( -12.088 14.211 7.065) 19.950 1.944 ( 1.812 4.090 0.304) 4.484 2.145 ( 7.194 1.282 -0.772) 7.348 2.219 ( -0.893 -3.908 -0.289) 4.019 2.309 ( -0.107 -0.934 0.406) 1.024 2.417 ( 1.703 -4.319 -1.487) 4.875 2.573 ( 1.040 -5.493 -4.017) 6.884 2.660 ( -7.175 12.054 6.504) 15.462 2.683 ( 3.371 4.532 0.202) 5.652 2.758 ( 2.972 0.373 -1.232) 3.239 2.918 ( 1.054 1.697 -0.637) 2.097 2.961 ( 0.476 2.013 2.845) 3.518 3.023 ( 2.016 -1.381 -0.220) 2.453 3.214 ( -1.053 2.662 -1.511) 3.237 3.288 ( -2.788 -2.241 0.308) 3.590 3.516 ( 1.348 -4.793 3.616) 6.153 3.695 ( -1.796 0.393 0.402) 1.882 3.759 ( -1.349 -0.911 -0.656) 1.755 3.829 ( 3.131 4.142 0.034) 5.193 4.109 ( -6.157 -5.329 -2.038) 8.394 4.340 ( 2.422 -3.701 -0.196) 4.427 4.722 ( -2.540 -1.247 -2.140) 3.548 4.870 ( 1.751 -3.567 0.225) 3.980 6.171 ( -1.503 6.259 8.075) 10.327 6.528 ( 3.753 3.941 2.658) 6.056 6.661 ( -3.199 -1.746 1.186) 3.833 6.784 ( -3.629 0.836 -0.100) 3.725 6.859 ( -3.677 5.608 2.688) 7.224 7.000 ( 1.824 -0.194 -1.087) 2.132 7.113 ( 1.518 -0.123 3.525) 3.840 7.426 ( -4.170 1.345 -0.054) 4.382 7.586 ( 4.216 -1.792 -2.115) 5.046 7.643 ( 6.707 3.645 2.514) 8.037 7.667 ( 6.789 2.130 2.559) 7.562 8.030 ( -1.671 -3.146 1.237) 3.771 8.362 ( 0.789 1.706 0.702) 2.006 8.429 ( 5.626 3.557 -1.437) 6.809 8.477 ( -0.637 3.101 -2.235) 3.875 8.647 ( 1.520 -1.385 -3.448) 4.015 8.794 ( 2.880 -2.766 4.476) 5.998 9.076 ( -2.882 0.616 -4.170) 5.106 9.104 ( -1.227 -0.570 -1.886) 2.321 9.155 ( 0.354 -6.775 -1.867) 7.036 9.231 ( -1.819 1.071 -1.719) 2.722 9.428 ( -1.758 -2.917 -0.569) 3.453 9.608 ( 1.135 3.124 -0.571) 3.372 9.833 ( 1.710 -3.968 -0.735) 4.383 ======================= Grid point 86 (44/136) ======================= q-point: (-0.12 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -3.930 20.736 5.125) 21.719 1.277 ( -7.075 20.084 7.702) 22.644 1.972 ( 0.855 6.659 3.240) 7.455 2.187 ( -1.463 -2.714 1.209) 3.311 2.271 ( 2.315 4.753 1.436) 5.479 2.309 ( 0.365 1.699 -0.039) 1.739 2.428 ( 0.129 -3.134 -1.963) 3.700 2.485 ( -6.984 12.442 4.412) 14.934 2.585 ( 0.959 -3.964 -6.764) 7.899 2.771 ( 3.155 2.395 0.375) 3.979 2.795 ( 1.098 -0.239 -2.024) 2.315 2.919 ( -0.752 0.531 0.262) 0.957 2.933 ( -0.979 0.286 -0.418) 1.102 3.052 ( -0.953 5.780 6.081) 8.444 3.250 ( 2.341 -2.479 -1.454) 3.707 3.335 ( 7.808 -1.774 -0.754) 8.043 3.568 ( 2.908 -2.710 0.844) 4.063 3.653 ( -2.753 -0.555 1.959) 3.424 3.718 ( -2.458 -0.648 -0.813) 2.669 3.865 ( 0.574 0.417 -0.976) 1.207 3.968 ( -7.174 -5.219 -0.606) 8.892 4.339 ( -1.602 -13.250 -0.953) 13.380 4.689 ( -0.216 2.000 -1.345) 2.420 4.895 ( 0.796 -3.784 -0.217) 3.873 6.166 ( -1.068 6.024 8.059) 10.118 6.611 ( 3.043 3.718 1.209) 4.955 6.613 ( -1.427 -5.838 3.696) 7.055 6.718 ( -2.306 1.316 -2.585) 3.706 6.819 ( -0.952 3.961 4.873) 6.351 7.041 ( 2.352 -1.100 2.300) 3.469 7.155 ( 1.891 3.318 2.353) 4.486 7.363 ( -2.008 0.381 0.591) 2.128 7.633 ( 2.070 1.950 -1.408) 3.173 7.786 ( 5.462 0.925 1.227) 5.674 7.802 ( 4.305 1.626 0.701) 4.655 7.984 ( -2.873 -3.720 2.586) 5.364 8.361 ( -0.435 6.119 -1.820) 6.399 8.463 ( -0.918 0.790 -0.148) 1.220 8.533 ( 4.361 3.824 -7.558) 9.527 8.675 ( 2.306 -3.116 -4.135) 5.668 8.861 ( 1.407 -2.807 4.344) 5.360 8.998 ( -1.683 0.854 -3.741) 4.190 9.044 ( -2.520 -1.481 -1.429) 3.254 9.176 ( 0.813 -3.474 0.445) 3.595 9.242 ( 2.728 -1.865 -1.707) 3.719 9.382 ( -2.479 -2.795 -1.249) 3.939 9.621 ( 0.275 4.252 -0.690) 4.316 9.843 ( -0.578 -2.582 -0.543) 2.701 ======================= Grid point 87 (45/136) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 1.157 17.475 6.584) 18.711 1.705 ( 1.579 19.746 2.492) 19.966 1.888 ( 0.746 -11.115 5.618) 12.476 2.096 ( 0.826 -15.057 1.012) 15.114 2.249 ( 1.300 4.291 -1.463) 4.716 2.333 ( 0.570 -2.839 -1.313) 3.179 2.425 ( -1.062 2.204 -1.985) 3.150 2.497 ( -0.089 -4.183 -4.556) 6.186 2.760 ( -1.173 7.684 -1.158) 7.859 2.796 ( -0.699 1.123 -2.532) 2.856 2.824 ( -0.103 1.440 -2.066) 2.520 2.876 ( -1.108 -2.501 -0.418) 2.767 3.129 ( 1.756 7.110 0.241) 7.327 3.149 ( -1.220 15.240 2.055) 15.426 3.240 ( -1.197 1.448 0.424) 1.926 3.500 ( 4.827 1.067 0.940) 5.032 3.564 ( -0.551 -3.297 -0.995) 3.488 3.577 ( -3.314 -3.768 0.803) 5.082 3.667 ( 0.226 -2.066 3.580) 4.139 3.731 ( 0.593 -5.597 2.582) 6.192 3.857 ( -0.986 0.570 -0.641) 1.307 3.963 ( -1.376 -12.922 1.192) 13.050 4.750 ( 0.585 2.945 0.463) 3.038 4.821 ( 0.322 -3.911 0.233) 3.931 6.295 ( -0.928 6.938 5.058) 8.636 6.447 ( -0.632 -7.833 3.259) 8.508 6.675 ( 0.840 1.232 1.615) 2.198 6.708 ( 1.143 -1.134 1.367) 2.112 6.925 ( 0.753 4.974 7.100) 8.701 7.021 ( 0.653 -4.150 8.295) 9.298 7.318 ( 1.768 4.999 0.587) 5.335 7.364 ( 0.845 0.345 -0.032) 0.913 7.689 ( -1.408 2.424 -1.927) 3.402 7.780 ( -3.273 -5.074 -1.381) 6.194 7.860 ( -1.092 2.077 1.313) 2.689 7.893 ( -0.071 -1.650 2.824) 3.272 8.456 ( -1.323 4.265 -3.466) 5.653 8.497 ( -1.900 4.973 -6.793) 8.631 8.560 ( 0.027 -2.425 -5.473) 5.986 8.627 ( -0.055 -4.583 -6.853) 8.244 8.831 ( -1.745 4.704 0.911) 5.099 8.951 ( 0.496 -5.455 -0.297) 5.486 9.064 ( 2.885 1.841 -0.049) 3.422 9.122 ( 2.402 -3.889 1.288) 4.749 9.274 ( 1.216 0.680 0.103) 1.397 9.302 ( 0.356 -1.866 0.047) 1.900 9.707 ( -0.688 4.152 -1.486) 4.463 9.779 ( -0.948 -2.725 -1.383) 3.200 ======================= Grid point 88 (46/136) ======================= q-point: ( 0.12 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.886 16.280 7.071) 18.410 1.737 ( 0.491 19.107 4.000) 19.528 1.941 ( 3.042 -10.729 6.141) 12.731 2.101 ( -1.113 -14.417 2.196) 14.625 2.260 ( 0.191 3.760 0.043) 3.765 2.339 ( 0.167 -2.280 -1.181) 2.573 2.376 ( -2.931 2.458 -3.062) 4.900 2.466 ( -1.806 -4.015 -5.587) 7.113 2.724 ( -2.337 5.830 -2.274) 6.680 2.789 ( 0.668 1.152 -1.880) 2.304 2.816 ( -0.381 0.772 -2.998) 3.120 2.850 ( -0.826 -1.739 -1.234) 2.286 3.061 ( -4.465 5.257 0.374) 6.908 3.177 ( -2.495 -4.145 -2.054) 5.256 3.261 ( 4.864 17.642 2.710) 18.500 3.434 ( -7.164 0.039 3.669) 8.049 3.452 ( -6.388 -0.979 3.051) 7.147 3.589 ( 1.909 -7.977 -1.429) 8.326 3.701 ( 2.125 3.899 2.229) 4.968 3.838 ( 5.929 -5.518 1.259) 8.197 3.910 ( 5.135 0.515 0.085) 5.162 4.015 ( 5.546 -11.101 -0.756) 12.432 4.764 ( 0.476 2.493 0.666) 2.624 4.824 ( -0.279 -3.135 0.067) 3.148 6.290 ( -0.721 6.933 4.493) 8.293 6.439 ( -0.989 -7.346 2.479) 7.816 6.717 ( 2.888 2.158 2.161) 4.203 6.756 ( 2.912 -0.508 2.780) 4.058 6.969 ( 1.228 3.445 8.891) 9.614 7.051 ( -0.179 -4.277 9.884) 10.771 7.344 ( -0.345 5.482 2.375) 5.984 7.392 ( 1.796 0.939 -1.054) 2.284 7.601 ( -5.889 0.903 -4.602) 7.529 7.670 ( -6.029 -4.486 -1.865) 7.743 7.829 ( -2.211 4.060 2.094) 5.074 7.901 ( 1.124 -3.411 2.741) 4.518 8.395 ( -4.569 4.220 -6.892) 9.283 8.426 ( -2.678 3.520 -5.497) 7.056 8.546 ( 0.039 -2.547 -4.694) 5.341 8.578 ( -1.552 -3.906 -6.664) 7.879 8.817 ( -0.601 5.635 1.643) 5.901 8.961 ( -0.299 -7.072 -0.211) 7.081 9.116 ( 2.480 2.561 -1.716) 3.957 9.176 ( 3.072 -3.133 -0.242) 4.395 9.305 ( 1.614 0.857 2.540) 3.129 9.336 ( 2.220 -2.141 2.026) 3.690 9.675 ( -1.871 3.749 -2.373) 4.815 9.742 ( -2.135 -2.622 -2.619) 4.277 ======================= Grid point 89 (47/136) ======================= q-point: ( 0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.692 15.494 4.462) 16.138 1.782 ( 6.055 14.044 4.608) 15.973 2.031 ( 3.438 -7.625 4.020) 9.280 2.059 ( -2.644 -13.106 3.998) 13.955 2.248 ( -2.861 1.583 1.951) 3.808 2.316 ( -1.417 1.522 -2.958) 3.616 2.330 ( -0.801 -1.534 -0.996) 1.997 2.397 ( -3.584 -2.475 -6.077) 7.477 2.659 ( -3.244 4.581 -2.387) 6.099 2.756 ( -3.155 -3.874 -1.533) 5.227 2.819 ( 0.700 4.059 -4.250) 5.919 2.862 ( 2.763 -0.990 -2.660) 3.961 2.986 ( -2.424 3.210 0.549) 4.060 3.099 ( -4.067 -5.961 -1.673) 7.408 3.270 ( -5.520 5.760 6.039) 10.006 3.350 ( -2.594 -2.495 2.866) 4.601 3.435 ( 4.246 7.152 3.257) 8.932 3.604 ( 0.515 -6.577 -1.167) 6.700 3.792 ( 6.427 7.704 0.184) 10.035 3.943 ( 4.030 -0.432 1.054) 4.188 4.013 ( 4.832 -1.898 -0.052) 5.191 4.125 ( 4.644 -7.791 -1.925) 9.272 4.765 ( -0.598 1.675 0.342) 1.812 4.808 ( -1.145 -2.294 -0.192) 2.571 6.290 ( -0.344 6.576 4.163) 7.791 6.422 ( -1.082 -5.791 2.112) 6.258 6.795 ( 4.041 2.907 1.818) 5.299 6.824 ( 2.808 0.791 3.236) 4.357 6.999 ( -0.793 1.312 8.426) 8.564 7.055 ( -1.774 -4.068 9.828) 10.784 7.290 ( -5.054 6.905 1.931) 8.773 7.391 ( -1.975 -1.257 -3.435) 4.157 7.498 ( -2.558 1.254 -2.386) 3.716 7.578 ( -2.960 -5.603 0.592) 6.365 7.795 ( -1.179 8.684 2.196) 9.034 7.960 ( 3.745 -6.224 3.302) 7.979 8.267 ( -5.536 4.492 -7.830) 10.589 8.343 ( -3.759 -0.770 -5.504) 6.709 8.547 ( 1.214 -0.702 -2.834) 3.162 8.567 ( 1.044 -2.183 -3.341) 4.126 8.803 ( -1.085 4.941 1.923) 5.412 8.938 ( -1.499 -6.991 -0.511) 7.168 9.157 ( 2.213 3.654 -3.317) 5.409 9.234 ( 2.466 -3.367 -1.982) 4.620 9.342 ( 1.118 1.446 3.135) 3.629 9.384 ( 1.636 -2.449 3.141) 4.306 9.626 ( -2.174 2.742 -3.069) 4.655 9.686 ( -2.482 -2.970 -3.722) 5.370 ======================= Grid point 90 (48/136) ======================= q-point: ( 0.38 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 3.404 8.593 2.134) 9.486 1.893 ( 2.962 8.372 1.140) 8.953 2.003 ( -1.728 -4.871 3.860) 6.450 2.097 ( -1.181 3.409 0.963) 3.734 2.179 ( -2.240 -6.257 1.134) 6.742 2.272 ( -3.728 -5.362 -1.655) 6.737 2.309 ( -0.958 0.117 -0.182) 0.982 2.323 ( -0.905 -0.177 -1.487) 1.750 2.599 ( -1.811 4.817 -2.348) 5.657 2.695 ( -1.955 -3.236 -2.150) 4.349 2.813 ( 0.245 4.343 -4.263) 6.090 2.914 ( 2.221 -4.966 -5.199) 7.525 2.976 ( 0.956 2.123 1.141) 2.593 3.031 ( -2.035 -2.025 1.604) 3.289 3.180 ( -4.642 4.065 6.571) 9.014 3.320 ( -1.647 -7.693 5.365) 9.523 3.523 ( 3.524 5.351 0.358) 6.417 3.621 ( 1.567 -3.761 -1.590) 4.373 3.916 ( 3.679 7.351 0.699) 8.250 4.019 ( 4.949 6.454 1.057) 8.202 4.091 ( 2.336 -4.454 -1.525) 5.255 4.177 ( 1.453 -3.549 -1.574) 4.145 4.745 ( -1.133 0.644 -0.125) 1.309 4.783 ( -1.276 -2.615 -0.156) 2.914 6.297 ( -0.012 6.026 4.410) 7.467 6.411 ( -0.475 -4.338 2.553) 5.056 6.863 ( 1.852 3.690 0.699) 4.187 6.885 ( 2.645 1.388 2.738) 4.052 6.973 ( -3.147 0.809 5.898) 6.733 7.034 ( -2.655 -4.489 8.052) 9.594 7.198 ( -4.033 8.738 2.359) 9.909 7.356 ( -0.138 -2.612 -0.985) 2.795 7.456 ( -1.224 -0.355 -0.726) 1.467 7.511 ( -3.907 -7.424 -0.842) 8.431 7.800 ( 0.526 12.527 1.940) 12.687 8.044 ( 2.662 -10.352 2.527) 10.984 8.161 ( -2.436 7.231 -4.816) 9.023 8.282 ( -0.642 -2.875 -4.169) 5.105 8.569 ( 1.255 0.411 -1.144) 1.748 8.585 ( 1.060 -1.469 -0.828) 1.992 8.787 ( -1.059 4.549 0.823) 4.743 8.911 ( -0.883 -6.730 -1.098) 6.876 9.187 ( 1.622 4.051 -3.679) 5.708 9.257 ( 0.425 -1.785 -2.018) 2.728 9.361 ( 0.065 1.148 1.884) 2.207 9.411 ( 0.196 -3.054 2.777) 4.133 9.584 ( -0.941 1.694 -3.293) 3.821 9.639 ( -0.907 -3.545 -3.716) 5.215 ======================= Grid point 91 (49/136) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.990 3.207 0.923) 3.481 1.914 ( 1.045 -0.687 0.029) 1.251 1.983 ( -1.419 7.151 2.101) 7.587 2.031 ( -3.898 6.528 0.320) 7.610 2.145 ( -0.051 -4.479 -2.737) 5.249 2.187 ( -3.447 -6.547 -1.068) 7.476 2.319 ( 1.022 -0.276 0.549) 1.193 2.355 ( 3.491 -3.765 1.965) 5.498 2.587 ( 1.366 5.238 -2.006) 5.773 2.676 ( 0.627 -2.261 -2.086) 3.139 2.816 ( 1.056 3.278 -3.981) 5.264 2.924 ( 0.674 -5.638 -4.966) 7.543 2.983 ( -0.552 3.635 1.566) 3.997 3.044 ( 1.653 -2.873 0.459) 3.346 3.118 ( -3.069 5.600 7.399) 9.774 3.306 ( -1.161 -10.287 6.326) 12.132 3.576 ( 1.429 3.979 0.113) 4.230 3.650 ( 1.299 -2.943 -1.001) 3.369 3.923 ( -1.705 8.659 0.234) 8.829 4.065 ( -3.965 -1.970 -1.908) 4.821 4.149 ( 5.416 3.719 1.228) 6.684 4.201 ( 1.144 0.066 -0.171) 1.159 4.734 ( 0.245 -0.883 -0.134) 0.927 4.758 ( -1.008 -2.981 -0.764) 3.238 6.309 ( -0.083 6.006 5.172) 7.926 6.419 ( 0.534 -3.881 3.522) 5.268 6.875 ( -2.760 5.187 1.790) 6.142 6.900 ( -0.483 2.010 1.441) 2.520 6.947 ( -0.203 -1.398 1.821) 2.304 6.994 ( -2.495 -5.216 5.837) 8.216 7.142 ( -2.041 10.278 2.071) 10.682 7.357 ( -0.701 -6.779 0.014) 6.815 7.447 ( 1.428 0.557 -0.065) 1.534 7.487 ( 2.321 -4.984 -0.007) 5.498 7.793 ( -1.724 12.574 0.781) 12.716 8.024 ( -2.923 -7.661 -2.202) 8.491 8.194 ( 4.240 3.758 2.079) 6.035 8.297 ( 2.643 -3.253 -1.930) 4.614 8.585 ( 0.258 1.166 0.334) 1.240 8.604 ( 0.883 -1.421 0.186) 1.684 8.761 ( -1.200 5.396 -1.057) 5.628 8.899 ( 0.165 -7.507 -1.624) 7.682 9.201 ( 0.618 3.648 -3.974) 5.430 9.245 ( -1.108 0.014 -1.678) 2.011 9.350 ( -1.491 0.890 0.366) 1.775 9.405 ( -1.030 -3.685 1.146) 3.994 9.581 ( 1.430 1.629 -2.372) 3.214 9.641 ( 1.901 -4.083 -2.241) 5.030 ======================= Grid point 92 (50/136) ======================= q-point: (-0.38 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -6.690 8.984 0.628) 11.219 1.877 ( -6.639 5.490 0.836) 8.655 1.958 ( 0.248 -3.883 2.242) 4.490 1.994 ( -0.713 2.898 -2.032) 3.611 2.145 ( 0.143 -3.315 0.456) 3.349 2.214 ( 5.715 -5.982 -1.589) 8.424 2.346 ( 1.501 2.782 -0.732) 3.245 2.424 ( 2.865 -4.640 -0.819) 5.515 2.648 ( 4.929 4.567 -1.097) 6.808 2.709 ( 2.935 -0.857 -1.238) 3.299 2.834 ( 1.636 2.174 -4.006) 4.843 2.928 ( 0.790 -4.473 -3.809) 5.927 2.979 ( 0.071 4.476 0.192) 4.480 3.046 ( -0.987 1.233 3.022) 3.410 3.120 ( 1.385 1.715 4.057) 4.618 3.311 ( 0.289 -10.612 6.229) 12.308 3.560 ( -3.733 5.905 1.587) 7.164 3.658 ( -0.463 -3.669 -0.102) 3.700 3.877 ( -2.604 6.686 -0.956) 7.239 3.965 ( -4.588 1.701 -1.143) 5.025 4.149 ( -3.766 1.842 1.095) 4.333 4.247 ( 0.687 -3.283 1.253) 3.580 4.734 ( -0.115 -0.401 -0.795) 0.898 4.765 ( 1.809 -2.691 -0.646) 3.306 6.315 ( -0.698 6.718 5.783) 8.892 6.444 ( 0.695 -4.954 4.248) 6.563 6.787 ( -4.823 4.527 0.144) 6.617 6.862 ( -4.400 -1.504 0.064) 4.650 6.950 ( 0.479 0.009 3.263) 3.298 6.977 ( -1.131 -2.428 3.929) 4.755 7.144 ( 2.157 9.863 0.522) 10.110 7.356 ( 1.471 -9.179 -1.146) 9.366 7.531 ( 5.551 1.023 0.938) 5.722 7.545 ( 2.842 -0.671 0.925) 3.063 7.756 ( -1.423 11.252 1.566) 11.449 7.962 ( -2.715 -7.602 -0.256) 8.076 8.297 ( 5.378 2.609 2.010) 6.306 8.366 ( 4.339 -2.237 -0.812) 4.949 8.576 ( -1.057 1.914 -0.913) 2.369 8.607 ( -0.738 -1.905 -0.453) 2.092 8.761 ( 1.771 5.786 0.078) 6.052 8.916 ( 1.966 -8.375 -1.010) 8.662 9.181 ( -1.809 2.111 -5.048) 5.763 9.199 ( -3.128 0.343 -2.513) 4.027 9.310 ( -2.071 2.168 -0.632) 3.064 9.383 ( -1.186 -4.125 -0.293) 4.302 9.622 ( 2.793 2.553 -0.952) 3.902 9.693 ( 3.242 -4.192 -0.838) 5.365 ======================= Grid point 93 (51/136) ======================= q-point: (-0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -4.862 15.106 0.593) 15.880 1.747 ( -5.701 12.193 2.879) 13.764 1.931 ( -3.108 -7.847 0.953) 8.494 2.008 ( 2.607 -9.501 1.210) 9.926 2.182 ( 2.426 2.867 -1.200) 3.943 2.299 ( 2.633 -6.489 -1.745) 7.218 2.381 ( 2.369 4.474 -0.990) 5.158 2.467 ( 2.097 -4.240 -3.259) 5.744 2.746 ( 3.909 2.538 -0.003) 4.661 2.768 ( 2.589 0.295 -0.882) 2.751 2.851 ( 0.549 3.811 -2.952) 4.852 2.922 ( -0.797 -3.138 -1.925) 3.767 3.001 ( 2.412 4.666 -1.066) 5.360 3.078 ( 4.124 1.883 1.667) 4.830 3.181 ( 4.536 2.006 2.609) 5.604 3.355 ( 2.858 -9.561 5.198) 11.252 3.438 ( -8.152 11.374 2.280) 14.179 3.633 ( -1.717 -6.537 -0.059) 6.759 3.809 ( -4.041 4.708 0.241) 6.209 3.893 ( -2.910 -1.160 -0.942) 3.271 4.049 ( -6.087 2.646 1.410) 6.785 4.196 ( -5.683 -8.946 1.320) 10.680 4.738 ( 0.459 2.242 -0.930) 2.470 4.797 ( 1.287 -3.342 -0.301) 3.594 6.310 ( -1.165 7.165 5.833) 9.313 6.459 ( -0.339 -6.943 4.015) 8.027 6.706 ( -3.000 3.625 0.181) 4.709 6.770 ( -4.016 -2.282 -0.906) 4.707 6.939 ( -2.098 2.480 4.007) 5.158 6.980 ( 0.024 -1.670 5.051) 5.320 7.212 ( 3.981 8.377 -0.935) 9.322 7.379 ( 0.218 -6.429 -2.418) 6.872 7.607 ( 4.204 3.491 0.085) 5.465 7.663 ( 6.556 -1.293 1.468) 6.842 7.767 ( 1.820 6.712 3.667) 7.862 7.917 ( -2.077 -7.225 2.646) 7.970 8.408 ( 4.762 3.052 0.290) 5.663 8.460 ( 5.076 -0.735 -0.912) 5.209 8.548 ( -0.832 2.179 -3.391) 4.116 8.590 ( -0.146 -2.681 -1.540) 3.095 8.821 ( 3.396 5.220 2.048) 6.556 8.970 ( 3.046 -8.197 0.428) 8.755 9.102 ( -4.276 0.564 -5.670) 7.124 9.110 ( -4.608 -0.263 -3.626) 5.869 9.276 ( -1.035 3.265 -1.293) 3.661 9.355 ( -1.520 -4.015 -0.983) 4.404 9.675 ( 2.369 3.511 -0.394) 4.254 9.752 ( 2.506 -3.883 -0.356) 4.635 ======================= Grid point 94 (52/136) ======================= q-point: (-0.12 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -2.374 17.302 3.719) 17.856 1.686 ( -0.933 18.136 2.302) 18.305 1.885 ( -1.653 -10.239 3.682) 11.006 2.065 ( 2.272 -15.267 0.647) 15.448 2.219 ( 1.826 4.898 -1.601) 5.467 2.324 ( 0.807 -4.085 -1.776) 4.527 2.423 ( 1.592 2.994 -1.375) 3.659 2.494 ( 1.441 -3.987 -4.373) 6.091 2.780 ( -0.245 3.825 -0.025) 3.833 2.800 ( 1.024 0.379 -1.896) 2.188 2.840 ( -0.816 3.479 -1.538) 3.890 2.898 ( -1.100 -2.367 -0.822) 2.737 3.059 ( 3.277 10.942 0.266) 11.425 3.169 ( 2.811 0.241 -0.602) 2.885 3.287 ( -5.799 12.073 3.027) 13.732 3.335 ( 9.143 3.268 1.837) 9.882 3.457 ( 6.312 -6.425 2.382) 9.316 3.605 ( -0.741 -9.673 -0.634) 9.722 3.722 ( -4.756 3.220 2.206) 6.152 3.815 ( -5.072 -4.983 0.090) 7.110 3.931 ( -5.519 2.212 0.956) 6.022 4.058 ( -7.292 -11.253 1.368) 13.479 4.742 ( 0.203 3.017 -0.270) 3.036 4.813 ( 0.487 -3.870 -0.037) 3.901 6.301 ( -1.055 7.020 5.549) 9.011 6.454 ( -0.892 -7.719 3.522) 8.531 6.671 ( -0.748 1.888 1.114) 2.316 6.710 ( -1.593 -1.740 -0.202) 2.368 6.914 ( -1.181 4.659 5.060) 6.979 6.994 ( 0.148 -3.110 6.309) 7.035 7.277 ( 2.559 6.401 -0.690) 6.928 7.363 ( -0.608 -1.497 -1.190) 2.006 7.680 ( 2.353 3.759 -0.791) 4.505 7.777 ( 3.738 -3.521 -0.394) 5.150 7.836 ( 3.352 2.115 3.237) 5.117 7.890 ( -1.454 -3.908 4.242) 5.948 8.467 ( 1.292 4.472 -1.812) 4.995 8.525 ( 0.090 4.262 -3.449) 5.483 8.550 ( 2.703 -2.663 -4.700) 6.040 8.606 ( 2.294 -3.283 -3.622) 5.400 8.869 ( -0.475 4.078 1.587) 4.402 8.979 ( -2.672 -4.202 -1.504) 5.202 9.028 ( -0.621 0.592 -3.004) 3.124 9.067 ( 2.407 -4.066 -0.024) 4.725 9.262 ( 0.019 2.319 -1.300) 2.658 9.320 ( -1.550 -3.116 -1.039) 3.632 9.708 ( 0.894 4.048 -0.711) 4.206 9.784 ( 0.736 -3.302 -0.591) 3.434 ======================= Grid point 119 (53/136) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 5.249 0.000 22.719) 23.317 1.005 ( -1.308 0.000 24.391) 24.426 1.681 ( -3.502 0.000 37.877) 38.038 2.108 ( -4.399 0.000 -6.507) 7.855 2.131 ( -0.243 0.000 -0.097) 0.262 2.359 ( 2.053 0.000 3.459) 4.023 2.415 ( -1.345 0.000 -3.816) 4.046 2.486 ( 0.594 0.000 -1.995) 2.081 2.584 ( 3.674 0.000 -0.690) 3.739 2.699 ( -2.336 0.000 -4.094) 4.714 2.849 ( 4.008 0.000 -1.806) 4.396 2.998 ( 1.515 0.000 1.187) 1.925 3.040 ( 0.937 0.000 2.693) 2.852 3.089 ( -1.782 0.000 2.887) 3.393 3.276 ( 2.925 0.000 -1.336) 3.215 3.497 ( 0.300 0.000 0.693) 0.755 3.559 ( -1.085 0.000 -3.489) 3.654 3.587 ( -2.377 0.000 -1.482) 2.801 3.685 ( 0.521 0.000 3.852) 3.887 3.848 ( 0.584 0.000 -1.485) 1.596 3.981 ( -1.042 0.000 -3.168) 3.335 4.521 ( -3.986 0.000 -8.404) 9.301 4.678 ( 7.283 0.000 -1.275) 7.393 4.894 ( -2.944 0.000 -3.900) 4.887 6.153 ( -1.576 0.000 2.646) 3.080 6.418 ( 0.881 0.000 -2.264) 2.430 6.709 ( 6.239 0.000 4.378) 7.622 6.911 ( -2.387 0.000 9.003) 9.314 6.983 ( 0.403 0.000 -5.003) 5.020 6.985 ( 4.845 0.000 13.831) 14.655 7.258 ( 2.357 0.000 4.843) 5.386 7.529 ( -0.023 0.000 -4.395) 4.395 7.529 ( -0.119 0.000 8.681) 8.682 7.604 ( -2.654 0.000 -5.099) 5.748 7.819 ( -5.359 0.000 -3.943) 6.653 8.022 ( 2.258 0.000 -1.188) 2.551 8.082 ( -3.635 0.000 -0.546) 3.676 8.233 ( -2.150 0.000 1.536) 2.642 8.607 ( -3.584 0.000 -11.525) 12.070 8.633 ( -1.633 0.000 6.642) 6.840 8.848 ( 4.010 0.000 -4.908) 6.338 9.070 ( 1.646 0.000 -0.637) 1.765 9.169 ( 1.058 0.000 2.156) 2.402 9.178 ( 5.145 0.000 2.797) 5.856 9.352 ( -1.998 0.000 -2.644) 3.314 9.410 ( -1.698 0.000 -3.180) 3.605 9.503 ( 3.940 0.000 3.071) 4.995 9.783 ( -4.498 0.000 -2.185) 5.001 ======================= Grid point 120 (54/136) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 5.334 0.000 19.559) 20.273 1.164 ( 10.333 0.000 20.571) 23.021 1.880 ( 12.638 0.000 25.327) 28.305 1.972 ( -6.675 0.000 -6.818) 9.542 2.157 ( 3.072 0.000 0.133) 3.075 2.377 ( -2.259 0.000 2.702) 3.522 2.390 ( 0.293 0.000 1.631) 1.657 2.492 ( 0.491 0.000 -1.927) 1.988 2.635 ( -2.494 0.000 -4.422) 5.077 2.655 ( 3.046 0.000 2.839) 4.164 2.913 ( 2.487 0.000 -3.566) 4.348 2.959 ( -5.725 0.000 0.575) 5.753 3.050 ( 0.502 0.000 2.832) 2.876 3.087 ( 0.355 0.000 3.512) 3.530 3.367 ( 5.833 0.000 -0.518) 5.856 3.419 ( -6.100 0.000 -1.621) 6.312 3.518 ( -2.552 0.000 0.554) 2.612 3.583 ( 1.263 0.000 -4.407) 4.585 3.719 ( 0.213 0.000 5.388) 5.392 3.810 ( -3.926 0.000 -0.419) 3.948 4.014 ( 5.638 0.000 -7.953) 9.748 4.387 ( -7.432 0.000 -7.461) 10.531 4.794 ( 4.402 0.000 -0.530) 4.434 4.826 ( -2.503 0.000 -4.646) 5.278 6.154 ( 0.967 0.000 2.668) 2.838 6.439 ( 1.660 0.000 -2.252) 2.798 6.784 ( 1.268 0.000 0.213) 1.286 6.826 ( -8.421 0.000 13.849) 16.208 6.980 ( 0.599 0.000 -5.348) 5.382 7.097 ( 3.017 0.000 16.601) 16.873 7.335 ( 2.616 0.000 5.622) 6.201 7.393 ( -8.274 0.000 -8.022) 11.525 7.565 ( 1.905 0.000 8.818) 9.022 7.609 ( 0.227 0.000 -0.635) 0.674 7.646 ( -7.994 0.000 -5.461) 9.681 7.957 ( -6.360 0.000 -0.593) 6.388 8.108 ( 4.842 0.000 1.034) 4.951 8.286 ( 5.060 0.000 2.035) 5.454 8.461 ( -6.596 0.000 -12.327) 13.981 8.647 ( 0.950 0.000 6.783) 6.850 8.907 ( 2.826 0.000 -7.692) 8.195 9.123 ( 3.007 0.000 0.606) 3.067 9.191 ( -0.329 0.000 0.662) 0.740 9.252 ( 0.335 0.000 2.312) 2.336 9.335 ( 1.691 0.000 -2.372) 2.913 9.361 ( -1.798 0.000 -3.399) 3.845 9.582 ( 2.891 0.000 3.998) 4.934 9.708 ( -1.729 0.000 -4.812) 5.114 ======================= Grid point 121 (55/136) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 11.593 0.000 12.198) 16.828 1.458 ( 13.241 0.000 14.189) 19.408 1.831 ( -5.499 0.000 -5.045) 7.463 2.124 ( 5.972 0.000 2.572) 6.502 2.218 ( -1.528 0.000 -2.653) 3.061 2.383 ( -1.288 0.000 1.119) 1.706 2.434 ( 9.222 0.000 20.022) 22.044 2.497 ( 0.604 0.000 -1.845) 1.942 2.598 ( 0.741 0.000 -3.970) 4.038 2.703 ( -0.946 0.000 1.921) 2.141 2.811 ( -6.355 0.000 2.233) 6.736 2.916 ( -0.997 0.000 -1.744) 2.009 3.082 ( -2.696 0.000 5.331) 5.974 3.113 ( 4.929 0.000 1.174) 5.067 3.310 ( -3.876 0.000 -1.228) 4.065 3.459 ( -3.093 0.000 3.001) 4.310 3.490 ( 6.135 0.000 -0.557) 6.160 3.570 ( -1.721 0.000 -6.591) 6.812 3.703 ( -6.344 0.000 0.698) 6.383 3.716 ( -1.303 0.000 3.797) 4.014 4.130 ( 7.173 0.000 -10.631) 12.825 4.192 ( -9.812 0.000 -6.424) 11.728 4.783 ( -0.392 0.000 -3.751) 3.771 4.853 ( 1.681 0.000 0.074) 1.683 6.202 ( 2.982 0.000 2.982) 4.217 6.456 ( -0.659 0.000 1.592) 1.723 6.692 ( -5.858 0.000 10.893) 12.368 6.794 ( -1.032 0.000 2.499) 2.704 6.980 ( 0.649 0.000 -5.627) 5.664 7.188 ( 1.262 0.000 18.209) 18.253 7.231 ( -5.511 0.000 -4.211) 6.935 7.362 ( -1.094 0.000 6.162) 6.258 7.443 ( -8.207 0.000 -3.161) 8.795 7.646 ( 3.674 0.000 6.108) 7.128 7.655 ( 2.693 0.000 -3.219) 4.196 7.861 ( -2.514 0.000 -2.853) 3.803 8.116 ( -5.794 0.000 -4.946) 7.618 8.384 ( 3.256 0.000 -5.717) 6.579 8.393 ( 4.543 0.000 2.651) 5.259 8.684 ( 0.660 0.000 6.992) 7.023 8.926 ( 1.313 0.000 -8.144) 8.249 9.125 ( -3.005 0.000 0.464) 3.040 9.175 ( -6.985 0.000 1.648) 7.176 9.208 ( 2.708 0.000 -1.565) 3.128 9.357 ( 1.052 0.000 -0.308) 1.096 9.389 ( 3.240 0.000 -2.603) 4.156 9.632 ( 1.067 0.000 3.810) 3.956 9.688 ( 1.155 0.000 -8.289) 8.369 ======================= Grid point 122 (56/136) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 13.343 0.000 6.885) 15.015 1.684 ( 2.152 0.000 1.263) 2.495 1.768 ( 3.167 0.000 6.888) 7.581 2.097 ( -7.321 0.000 -1.639) 7.502 2.219 ( 3.450 0.000 2.358) 4.179 2.346 ( -2.408 0.000 0.814) 2.542 2.508 ( 0.499 0.000 -1.863) 1.929 2.558 ( 1.250 0.000 -2.755) 3.025 2.586 ( -5.039 0.000 -2.058) 5.443 2.757 ( 7.886 0.000 9.102) 12.043 2.796 ( -0.505 0.000 4.486) 4.514 2.918 ( 4.184 0.000 2.747) 5.005 3.017 ( -4.225 0.000 7.787) 8.860 3.215 ( 3.948 0.000 -2.033) 4.441 3.248 ( -2.623 0.000 2.673) 3.745 3.434 ( -0.051 0.000 1.561) 1.562 3.476 ( -3.959 0.000 -5.657) 6.905 3.537 ( -9.904 0.000 2.979) 10.343 3.626 ( 5.120 0.000 -2.345) 5.631 3.701 ( -0.578 0.000 1.913) 1.999 4.001 ( -6.442 0.000 -4.671) 7.958 4.220 ( 4.098 0.000 -11.136) 11.866 4.798 ( 2.442 0.000 -1.667) 2.957 4.866 ( -0.276 0.000 -0.233) 0.361 6.277 ( 3.341 0.000 3.487) 4.829 6.408 ( -4.822 0.000 9.323) 10.496 6.664 ( 0.354 0.000 5.298) 5.310 6.763 ( -2.370 0.000 1.123) 2.623 6.972 ( -0.217 0.000 -5.270) 5.275 7.170 ( 0.086 0.000 -0.162) 0.183 7.221 ( -2.398 0.000 16.256) 16.432 7.320 ( -2.916 0.000 -1.731) 3.392 7.341 ( -2.225 0.000 7.513) 7.836 7.678 ( -2.428 0.000 1.416) 2.811 7.712 ( 3.834 0.000 -5.527) 6.727 7.870 ( 4.369 0.000 -3.977) 5.909 7.939 ( -8.086 0.000 -7.130) 10.781 8.474 ( 4.776 0.000 -2.715) 5.494 8.476 ( 2.933 0.000 3.578) 4.626 8.696 ( -1.382 0.000 7.296) 7.426 8.926 ( 0.530 0.000 -6.720) 6.741 9.035 ( -6.591 0.000 2.104) 6.919 9.071 ( -1.568 0.000 -0.556) 1.663 9.243 ( 0.946 0.000 -2.411) 2.590 9.381 ( 1.273 0.000 0.927) 1.575 9.433 ( 1.813 0.000 -3.533) 3.971 9.642 ( -0.974 0.000 2.819) 2.982 9.708 ( 2.874 0.000 -8.229) 8.717 ======================= Grid point 123 (57/136) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( -3.116 0.000 1.166) 3.327 1.706 ( -5.056 0.000 3.454) 6.123 1.861 ( 0.850 0.000 6.407) 6.463 2.007 ( 1.844 0.000 2.371) 3.003 2.307 ( 5.171 0.000 4.201) 6.663 2.317 ( 0.038 0.000 -0.179) 0.183 2.473 ( -1.664 0.000 -2.676) 3.151 2.568 ( 0.597 0.000 -4.022) 4.066 2.585 ( 1.759 0.000 1.035) 2.041 2.756 ( -3.013 0.000 3.731) 4.795 2.791 ( -2.158 0.000 3.025) 3.716 2.989 ( -0.138 0.000 6.817) 6.819 3.061 ( 1.204 0.000 -0.232) 1.226 3.235 ( 0.195 0.000 5.674) 5.678 3.251 ( -9.929 0.000 -2.914) 10.348 3.257 ( -1.646 0.000 2.496) 2.990 3.446 ( 0.823 0.000 0.518) 0.973 3.447 ( 0.216 0.000 -0.433) 0.484 3.707 ( 0.804 0.000 1.015) 1.295 3.727 ( 5.056 0.000 -2.758) 5.759 3.954 ( 2.828 0.000 -3.226) 4.290 4.237 ( 0.491 0.000 -10.286) 10.298 4.844 ( -1.601 0.000 -1.723) 2.352 4.863 ( 3.843 0.000 -0.068) 3.844 6.334 ( -4.910 0.000 12.260) 13.206 6.336 ( 1.159 0.000 4.032) 4.196 6.697 ( -0.637 0.000 8.136) 8.160 6.712 ( -0.814 0.000 -4.530) 4.603 6.947 ( -0.673 0.000 -4.596) 4.645 7.183 ( -4.334 0.000 12.060) 12.815 7.233 ( 5.731 0.000 1.818) 6.013 7.312 ( -3.227 0.000 9.712) 10.234 7.328 ( 3.754 0.000 -0.090) 3.755 7.593 ( -4.910 0.000 -2.377) 5.455 7.706 ( -4.277 0.000 -10.170) 11.033 7.861 ( 3.410 0.000 -2.239) 4.080 7.963 ( 5.029 0.000 -4.262) 6.592 8.516 ( -0.478 0.000 4.176) 4.203 8.530 ( 1.500 0.000 -3.409) 3.725 8.673 ( -2.282 0.000 7.810) 8.137 8.918 ( 0.424 0.000 -5.993) 6.008 8.948 ( -2.312 0.000 2.524) 3.423 9.073 ( 1.606 0.000 -0.230) 1.623 9.233 ( -1.087 0.000 -3.222) 3.400 9.412 ( 1.545 0.000 1.132) 1.915 9.443 ( 0.168 0.000 -4.152) 4.155 9.608 ( -2.875 0.000 1.515) 3.249 9.759 ( 3.915 0.000 -6.563) 7.642 ======================= Grid point 124 (58/136) ======================= q-point: (-0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -17.181 0.000 2.213) 17.323 1.558 ( -7.463 0.000 5.878) 9.500 1.874 ( 1.781 0.000 1.216) 2.156 2.064 ( -0.382 0.000 7.247) 7.257 2.337 ( 1.190 0.000 0.980) 1.542 2.452 ( 0.116 0.000 -2.362) 2.365 2.452 ( 5.680 0.000 9.060) 10.693 2.545 ( -2.463 0.000 -2.413) 3.448 2.561 ( -3.333 0.000 -0.050) 3.333 2.710 ( -7.151 0.000 2.791) 7.676 2.769 ( 2.365 0.000 5.589) 6.069 2.931 ( -12.151 0.000 0.296) 12.155 2.993 ( -3.353 0.000 -3.919) 5.158 3.058 ( 5.670 0.000 4.047) 6.966 3.252 ( -0.465 0.000 5.264) 5.285 3.375 ( 0.443 0.000 -3.804) 3.829 3.471 ( 1.606 0.000 0.459) 1.670 3.487 ( 7.251 0.000 1.460) 7.397 3.729 ( 0.904 0.000 0.808) 1.212 3.802 ( 2.841 0.000 -4.649) 5.449 4.078 ( 9.511 0.000 -3.260) 10.055 4.198 ( -1.851 0.000 -8.400) 8.602 4.792 ( -2.936 0.000 -4.277) 5.188 4.934 ( 2.870 0.000 0.241) 2.880 6.283 ( -3.134 0.000 13.828) 14.178 6.334 ( -2.357 0.000 4.173) 4.793 6.634 ( -3.901 0.000 0.286) 3.911 6.749 ( 2.021 0.000 2.664) 3.344 6.938 ( 1.043 0.000 -4.337) 4.461 7.118 ( -5.420 0.000 12.304) 13.445 7.251 ( -4.087 0.000 3.909) 5.655 7.385 ( 8.305 0.000 -0.864) 8.350 7.448 ( 6.716 0.000 2.161) 7.055 7.509 ( -2.622 0.000 1.332) 2.940 7.603 ( -1.620 0.000 -6.577) 6.774 7.956 ( 5.055 0.000 -2.388) 5.591 8.043 ( 4.100 0.000 -5.066) 6.517 8.472 ( -4.586 0.000 5.478) 7.144 8.537 ( 0.921 0.000 -3.969) 4.075 8.658 ( -1.097 0.000 7.931) 8.007 8.907 ( -0.259 0.000 -7.203) 7.208 8.951 ( 1.613 0.000 2.219) 2.743 9.116 ( 1.982 0.000 0.872) 2.166 9.195 ( -1.428 0.000 -3.328) 3.621 9.420 ( -1.407 0.000 -3.791) 4.044 9.444 ( 1.272 0.000 0.593) 1.404 9.541 ( -3.728 0.000 -0.025) 3.728 9.824 ( 3.768 0.000 -5.133) 6.367 ======================= Grid point 125 (59/136) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -18.352 0.000 5.906) 19.279 1.353 ( -14.475 0.000 13.164) 19.566 1.979 ( 8.203 0.000 -2.953) 8.719 2.006 ( -9.161 0.000 19.939) 21.943 2.334 ( -13.218 0.000 11.647) 17.617 2.347 ( -0.831 0.000 2.185) 2.338 2.463 ( 1.387 0.000 -2.431) 2.798 2.510 ( -1.044 0.000 -1.902) 2.169 2.533 ( -2.500 0.000 -7.928) 8.313 2.673 ( 4.513 0.000 3.345) 5.617 2.792 ( -3.156 0.000 -2.713) 4.161 2.840 ( 3.522 0.000 3.977) 5.312 2.964 ( 0.526 0.000 0.475) 0.709 3.171 ( 0.494 0.000 6.234) 6.254 3.275 ( 5.072 0.000 1.143) 5.199 3.320 ( -3.047 0.000 -3.438) 4.594 3.508 ( 1.753 0.000 0.282) 1.775 3.660 ( 8.207 0.000 -1.071) 8.276 3.738 ( -0.381 0.000 0.689) 0.787 3.802 ( -1.730 0.000 -6.865) 7.080 4.128 ( -3.255 0.000 -5.784) 6.637 4.284 ( 11.271 0.000 -3.966) 11.949 4.709 ( -3.792 0.000 -6.400) 7.439 4.968 ( 0.518 0.000 -0.630) 0.816 6.274 ( -4.181 0.000 3.638) 5.542 6.295 ( 1.225 0.000 14.945) 14.995 6.559 ( -3.241 0.000 0.002) 3.241 6.799 ( 2.149 0.000 4.459) 4.950 6.961 ( 1.949 0.000 -4.118) 4.555 7.021 ( -6.534 0.000 10.791) 12.615 7.208 ( -0.575 0.000 1.305) 1.425 7.471 ( 0.691 0.000 -5.130) 5.176 7.493 ( -0.430 0.000 6.564) 6.578 7.563 ( 6.522 0.000 -1.971) 6.814 7.697 ( 8.551 0.000 0.841) 8.593 8.026 ( 2.254 0.000 -1.593) 2.760 8.098 ( 2.456 0.000 -4.826) 5.415 8.384 ( -4.990 0.000 5.223) 7.224 8.568 ( 3.355 0.000 -5.284) 6.259 8.665 ( -0.419 0.000 7.967) 7.978 8.862 ( -2.112 0.000 -7.544) 7.834 9.003 ( 2.714 0.000 2.357) 3.595 9.125 ( -1.369 0.000 0.114) 1.374 9.177 ( -0.193 0.000 -1.784) 1.794 9.386 ( -0.372 0.000 -1.561) 1.604 9.459 ( 0.140 0.000 -0.679) 0.693 9.470 ( -3.044 0.000 -1.699) 3.486 9.873 ( 1.909 0.000 -4.487) 4.877 ======================= Grid point 126 (60/136) ======================= q-point: (-0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -6.770 0.000 17.280) 18.558 1.103 ( -12.926 0.000 20.441) 24.185 1.807 ( -15.506 0.000 36.391) 39.557 2.125 ( 5.210 0.000 -4.885) 7.142 2.173 ( -4.572 0.000 1.872) 4.941 2.327 ( -0.831 0.000 3.346) 3.448 2.461 ( -2.080 0.000 -7.429) 7.715 2.479 ( 0.615 0.000 -2.071) 2.160 2.521 ( 2.680 0.000 -2.892) 3.943 2.739 ( -0.636 0.000 -3.949) 4.000 2.773 ( 3.178 0.000 2.463) 4.021 2.928 ( 4.216 0.000 2.038) 4.683 2.998 ( 1.997 0.000 3.089) 3.678 3.134 ( -3.285 0.000 4.050) 5.215 3.265 ( -1.157 0.000 -2.662) 2.902 3.419 ( 6.561 0.000 1.424) 6.713 3.542 ( 1.842 0.000 -0.705) 1.973 3.696 ( -6.257 0.000 -5.174) 8.120 3.713 ( -2.239 0.000 0.724) 2.353 3.794 ( 5.038 0.000 -2.002) 5.421 4.045 ( -3.763 0.000 -3.114) 4.884 4.492 ( 10.109 0.000 -5.179) 11.359 4.622 ( -3.067 0.000 -5.622) 6.404 4.951 ( -1.771 0.000 -2.250) 2.863 6.200 ( -3.629 0.000 2.988) 4.700 6.391 ( 3.302 0.000 5.403) 6.332 6.548 ( 3.851 0.000 7.464) 8.399 6.864 ( 3.227 0.000 7.292) 7.974 6.941 ( -3.455 0.000 9.431) 10.044 6.982 ( 1.050 0.000 -4.489) 4.610 7.220 ( 0.898 0.000 3.270) 3.391 7.489 ( 2.471 0.000 -2.655) 3.627 7.510 ( 0.035 0.000 8.175) 8.175 7.646 ( 1.854 0.000 -6.053) 6.331 7.832 ( 3.942 0.000 -0.675) 3.999 8.034 ( -0.965 0.000 -2.597) 2.771 8.110 ( -0.268 0.000 -1.751) 1.771 8.308 ( -3.754 0.000 1.742) 4.139 8.628 ( 3.283 0.000 -7.935) 8.587 8.664 ( -1.952 0.000 6.511) 6.797 8.816 ( -0.062 0.000 -5.600) 5.600 9.073 ( 3.849 0.000 3.719) 5.352 9.079 ( -2.278 0.000 -0.713) 2.387 9.163 ( -0.593 0.000 0.274) 0.653 9.402 ( -1.310 0.000 -2.345) 2.687 9.425 ( 1.994 0.000 1.016) 2.238 9.445 ( -1.126 0.000 -2.098) 2.381 9.864 ( -2.014 0.000 -3.754) 4.260 ======================= Grid point 127 (61/136) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 4.902 13.638 18.286) 23.333 1.138 ( -1.381 11.456 20.171) 23.238 1.913 ( -2.211 18.933 27.591) 33.535 2.089 ( -1.700 2.073 -3.640) 4.520 2.192 ( -3.210 2.639 1.011) 4.277 2.350 ( 1.799 -0.438 3.421) 3.890 2.409 ( -0.632 -0.795 -4.009) 4.135 2.468 ( 0.504 -1.640 -3.294) 3.714 2.531 ( 2.911 -4.314 -0.758) 5.259 2.707 ( -1.298 0.530 -4.079) 4.313 2.836 ( 2.362 -1.649 -1.927) 3.466 2.953 ( -0.271 -3.917 0.034) 3.926 2.991 ( 1.191 -1.708 2.913) 3.580 3.115 ( 0.018 0.590 3.949) 3.993 3.275 ( 1.558 -0.110 -1.396) 2.095 3.488 ( 0.856 -0.584 0.864) 1.349 3.551 ( -0.957 -0.288 -3.439) 3.581 3.618 ( -1.851 1.329 -2.385) 3.299 3.691 ( 1.015 0.805 4.512) 4.694 3.840 ( -0.457 -0.362 -1.046) 1.198 3.952 ( -1.068 -2.731 -2.348) 3.757 4.455 ( -2.541 -6.564 -7.554) 10.325 4.675 ( 5.157 0.468 0.013) 5.178 4.895 ( -2.117 -0.239 -3.657) 4.232 6.201 ( -2.262 4.118 4.682) 6.632 6.495 ( 0.578 6.700 -2.348) 7.123 6.741 ( 4.663 0.736 3.020) 5.604 6.825 ( -2.795 -6.091 4.365) 7.998 6.939 ( 1.657 1.890 11.084) 11.366 7.147 ( 9.363 6.055 2.298) 11.385 7.258 ( 0.365 1.069 5.221) 5.342 7.439 ( 0.765 -4.033 3.844) 5.624 7.549 ( -3.537 1.014 -5.764) 6.838 7.692 ( -2.755 5.393 0.952) 6.130 7.807 ( -4.250 -0.684 -2.508) 4.982 8.018 ( 0.935 -0.131 0.420) 1.033 8.133 ( -2.973 4.250 -2.564) 5.786 8.267 ( -2.245 2.832 -2.379) 4.326 8.532 ( -1.391 -5.092 0.519) 5.304 8.621 ( -1.806 -1.749 -6.127) 6.623 8.880 ( 2.658 1.979 -4.976) 5.979 9.004 ( 0.419 -4.778 -0.250) 4.802 9.122 ( 3.010 -3.054 1.160) 4.442 9.217 ( 2.871 1.088 1.495) 3.415 9.333 ( -1.287 -1.805 -2.058) 3.025 9.402 ( 1.291 -0.951 -0.079) 1.606 9.519 ( 1.081 1.991 0.883) 2.432 9.788 ( -3.658 0.198 -2.304) 4.327 ======================= Grid point 128 (62/136) ======================= q-point: ( 0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 3.724 11.594 16.455) 20.471 1.262 ( 8.163 8.907 17.377) 21.164 1.981 ( -2.673 3.633 -3.097) 5.471 2.086 ( 6.268 14.528 12.428) 20.120 2.183 ( 2.516 2.585 4.047) 5.422 2.354 ( -1.763 -1.478 0.949) 2.488 2.403 ( 0.616 0.378 2.503) 2.605 2.471 ( 0.290 -1.818 -1.674) 2.489 2.593 ( 2.834 -4.484 1.415) 5.490 2.666 ( -1.079 1.904 -3.416) 4.057 2.841 ( -1.809 -5.146 -1.924) 5.784 2.948 ( -0.661 -1.514 -0.418) 1.704 3.024 ( 1.776 -1.366 3.369) 4.046 3.102 ( -2.114 -0.066 2.717) 3.444 3.311 ( 0.962 -4.042 -1.850) 4.548 3.438 ( -2.488 1.589 -0.288) 2.966 3.509 ( -3.428 -0.483 0.948) 3.590 3.614 ( 1.716 1.033 -3.919) 4.401 3.718 ( -0.988 0.023 5.147) 5.241 3.810 ( -1.775 0.815 0.004) 1.953 3.993 ( 5.833 -1.929 -6.754) 9.131 4.356 ( -5.466 -3.267 -6.633) 9.195 4.766 ( 3.110 -1.792 0.276) 3.600 4.842 ( -1.619 0.828 -4.194) 4.571 6.188 ( -0.100 3.326 4.425) 5.536 6.513 ( 1.529 6.346 -2.101) 6.858 6.750 ( -5.505 -5.229 6.256) 9.838 6.809 ( 1.915 0.685 1.000) 2.266 7.017 ( 2.266 3.594 10.861) 11.663 7.215 ( -1.640 7.958 6.483) 10.394 7.321 ( 0.783 -0.580 3.255) 3.398 7.405 ( -5.111 0.773 -3.933) 6.495 7.502 ( 3.174 -3.884 1.294) 5.181 7.636 ( -5.009 2.129 1.927) 5.774 7.674 ( -4.422 2.336 -1.679) 5.275 7.981 ( -5.541 1.830 -1.701) 6.078 8.119 ( 3.836 0.956 0.681) 4.011 8.293 ( 2.961 0.699 -0.864) 3.163 8.456 ( -4.211 -0.566 -9.503) 10.410 8.602 ( 0.907 -3.636 3.818) 5.350 8.922 ( 2.145 1.324 -8.047) 8.433 9.024 ( 1.476 -6.936 2.461) 7.506 9.165 ( -0.262 -2.521 0.359) 2.560 9.254 ( 1.185 -1.739 -2.358) 3.160 9.338 ( 1.235 0.603 0.698) 1.541 9.397 ( -0.173 2.690 -2.228) 3.497 9.567 ( 2.438 -1.085 3.277) 4.226 9.714 ( -2.495 0.418 -4.290) 4.980 ======================= Grid point 129 (63/136) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 9.243 7.386 10.468) 15.797 1.503 ( 11.118 4.705 13.103) 17.817 1.875 ( -4.864 4.258 -5.108) 8.239 2.184 ( 2.354 3.717 -1.499) 4.648 2.239 ( -2.520 2.429 -0.487) 3.534 2.339 ( -0.764 -2.446 3.908) 4.673 2.467 ( 1.046 -2.486 -1.458) 3.066 2.488 ( 4.470 2.136 10.387) 11.507 2.614 ( -0.309 -0.509 -2.918) 2.978 2.709 ( 5.110 0.961 5.352) 7.462 2.763 ( -3.470 -1.546 1.368) 4.038 2.919 ( -1.694 -0.246 -0.911) 1.939 3.024 ( -4.407 -4.761 2.686) 7.022 3.106 ( 3.284 -0.091 2.337) 4.032 3.274 ( -1.925 -3.436 -3.007) 4.956 3.417 ( -4.120 -1.482 3.578) 5.655 3.493 ( 4.540 -0.482 0.410) 4.583 3.617 ( -1.193 2.411 -4.545) 5.281 3.691 ( -1.099 -0.486 1.413) 1.855 3.770 ( -2.972 4.586 3.028) 6.248 4.104 ( 5.305 -1.764 -9.046) 10.634 4.213 ( -6.115 1.066 -5.685) 8.417 4.776 ( -0.503 -0.859 -2.381) 2.581 4.843 ( 1.311 -0.764 -0.545) 1.612 6.219 ( 1.905 2.032 4.844) 5.588 6.522 ( -1.591 5.342 1.922) 5.896 6.672 ( -2.537 -1.543 5.970) 6.668 6.832 ( 0.315 2.045 0.474) 2.122 7.027 ( -2.805 4.790 2.281) 6.001 7.221 ( -3.708 1.701 6.144) 7.375 7.239 ( -0.463 1.880 5.208) 5.556 7.360 ( -2.468 -0.019 2.961) 3.854 7.487 ( -6.760 3.399 1.166) 7.656 7.594 ( 4.361 -3.098 2.348) 5.842 7.680 ( 2.016 1.729 0.270) 2.670 7.875 ( -3.765 1.081 -4.717) 6.131 8.141 ( -4.318 2.384 -4.477) 6.661 8.326 ( 4.414 -3.530 -1.674) 5.895 8.445 ( 3.335 2.408 -1.373) 4.337 8.635 ( 0.631 -3.914 5.402) 6.701 8.926 ( 0.657 -0.335 -8.271) 8.303 9.043 ( -1.969 -5.409 3.725) 6.856 9.134 ( -0.832 -3.758 -2.338) 4.504 9.230 ( -2.538 1.404 -1.881) 3.457 9.371 ( 1.838 -0.493 -0.026) 1.903 9.416 ( 2.058 2.986 -1.779) 4.039 9.612 ( 0.906 -1.895 3.399) 3.996 9.673 ( -0.021 -1.232 -7.327) 7.430 ======================= Grid point 130 (64/136) ======================= q-point: ( 0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 11.306 3.460 5.188) 12.912 1.725 ( 5.909 2.985 6.244) 9.100 1.797 ( -0.029 3.499 1.527) 3.817 2.111 ( -6.749 1.179 -2.249) 7.210 2.241 ( 1.046 1.819 2.463) 3.236 2.309 ( -2.083 -3.109 2.037) 4.261 2.472 ( 0.451 -4.287 0.057) 4.311 2.511 ( -3.654 -2.147 -0.910) 4.334 2.579 ( 0.151 1.109 -4.946) 5.071 2.743 ( 0.788 -5.469 5.403) 7.728 2.847 ( -2.181 0.779 4.690) 5.231 2.889 ( -1.326 -1.186 1.061) 2.071 3.003 ( 7.504 2.154 4.940) 9.238 3.156 ( 0.249 -3.776 0.935) 3.898 3.232 ( -2.206 -2.162 -1.049) 3.262 3.375 ( -0.045 -1.136 2.869) 3.086 3.562 ( -2.115 3.493 -2.790) 4.946 3.595 ( 3.685 0.541 0.316) 3.738 3.664 ( -3.172 6.936 1.098) 7.705 3.730 ( 0.086 2.801 1.437) 3.149 4.024 ( -6.204 2.630 -4.281) 7.983 4.216 ( 3.546 -0.660 -8.977) 9.675 4.782 ( 1.760 -1.417 -1.205) 2.560 4.855 ( -0.082 -1.049 -0.485) 1.158 6.279 ( 2.358 0.871 6.002) 6.507 6.461 ( -4.552 3.990 7.397) 9.558 6.683 ( 1.523 1.911 2.490) 3.489 6.826 ( -1.065 4.420 -0.049) 4.547 6.966 ( -2.713 0.623 -0.956) 2.943 7.155 ( -1.968 -0.317 2.060) 2.866 7.279 ( 0.093 3.353 8.411) 9.055 7.322 ( -1.641 -0.075 7.606) 7.781 7.385 ( -4.058 4.304 3.772) 7.015 7.652 ( -1.501 -2.001 1.545) 2.940 7.705 ( 1.755 -1.249 -5.769) 6.158 7.826 ( 0.245 -0.694 -5.145) 5.197 8.031 ( -2.377 6.088 -6.116) 8.950 8.444 ( 5.858 -2.464 1.053) 6.442 8.509 ( 2.616 1.422 0.556) 3.029 8.638 ( -1.874 -3.960 5.684) 7.176 8.911 ( -0.896 -3.601 -4.796) 6.064 8.971 ( -3.654 -0.232 0.411) 3.684 9.120 ( -0.771 -1.852 -2.566) 3.257 9.198 ( 0.005 -0.289 -1.018) 1.058 9.389 ( -0.139 -0.213 0.560) 0.615 9.456 ( 2.254 1.768 -3.314) 4.380 9.613 ( -1.301 -2.597 2.109) 3.589 9.683 ( 2.614 -2.335 -7.081) 7.901 ======================= Grid point 131 (65/136) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -3.264 3.438 1.881) 5.101 1.759 ( -3.464 4.337 2.041) 5.914 1.865 ( -0.706 0.676 5.000) 5.095 2.047 ( 3.380 3.022 1.513) 4.780 2.258 ( 1.039 -5.543 5.812) 8.098 2.310 ( 2.360 -0.698 0.196) 2.468 2.431 ( -2.609 -3.866 -0.825) 4.736 2.504 ( 1.601 -3.279 0.139) 3.651 2.576 ( 0.431 0.267 -5.200) 5.224 2.754 ( -1.837 -0.178 1.739) 2.536 2.778 ( -1.033 -6.731 3.376) 7.600 2.872 ( -1.013 -0.905 1.326) 1.898 3.080 ( -4.358 -1.781 3.999) 6.177 3.157 ( -3.487 -2.092 0.971) 4.180 3.238 ( 5.699 -2.540 -0.852) 6.297 3.416 ( 2.708 1.055 0.902) 3.043 3.482 ( -4.976 12.376 1.597) 13.434 3.568 ( -2.447 7.545 2.659) 8.365 3.697 ( 3.623 -2.234 -2.304) 4.840 3.748 ( 0.332 3.828 0.343) 3.858 3.978 ( 3.650 2.795 -2.659) 5.311 4.232 ( 0.280 -0.756 -8.375) 8.414 4.824 ( 0.391 -1.843 -0.975) 2.121 4.848 ( 1.413 -1.489 -0.689) 2.165 6.321 ( -0.610 0.680 9.394) 9.438 6.407 ( -2.076 4.919 6.673) 8.546 6.721 ( 1.320 1.773 2.825) 3.587 6.786 ( -2.603 6.391 -1.939) 7.168 6.922 ( -1.286 -1.398 -1.616) 2.494 7.141 ( -1.521 -2.218 7.202) 7.688 7.288 ( -1.400 -0.209 2.093) 2.527 7.327 ( 0.585 3.273 10.582) 11.092 7.369 ( 2.438 4.290 3.527) 6.065 7.572 ( -3.630 -1.395 -4.074) 5.632 7.676 ( -4.004 -2.557 -5.633) 7.369 7.865 ( 4.859 1.522 -3.132) 5.978 8.043 ( 3.600 6.241 -5.111) 8.833 8.528 ( -0.891 0.963 3.029) 3.301 8.542 ( 2.784 -0.187 -1.982) 3.422 8.600 ( -2.598 -5.052 6.391) 8.550 8.874 ( -1.095 -5.224 2.687) 5.976 8.941 ( 0.519 1.973 -6.437) 6.753 9.105 ( 0.246 -0.065 -1.763) 1.781 9.199 ( -0.120 -1.681 -1.624) 2.340 9.373 ( -1.383 -1.642 -0.201) 2.157 9.486 ( 1.580 1.766 -3.287) 4.052 9.577 ( -2.621 -2.750 1.232) 3.994 9.734 ( 3.911 -2.379 -5.669) 7.287 ======================= Grid point 132 (66/136) ======================= q-point: (-0.38 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -15.218 3.901 2.707) 15.941 1.636 ( -7.819 6.592 5.012) 11.389 1.871 ( 2.023 0.143 1.164) 2.339 2.082 ( -1.397 1.006 7.371) 7.570 2.297 ( 0.542 -3.495 3.472) 4.956 2.390 ( -0.304 -4.035 -0.030) 4.047 2.425 ( 4.326 -3.090 0.933) 5.397 2.528 ( 2.386 0.331 -2.582) 3.531 2.580 ( 0.997 -1.149 -3.070) 3.426 2.739 ( 0.330 -3.525 1.431) 3.819 2.761 ( -5.348 5.002 6.325) 9.676 2.881 ( 3.679 -4.170 -2.183) 5.974 2.965 ( -6.841 0.853 4.347) 8.150 3.082 ( -1.748 -0.638 -0.300) 1.885 3.250 ( -3.315 -0.598 1.573) 3.717 3.376 ( -2.709 1.470 0.978) 3.234 3.542 ( 1.298 5.187 -0.269) 5.353 3.572 ( 5.954 6.567 1.930) 9.072 3.732 ( 0.517 0.551 0.471) 0.890 3.767 ( 1.853 -2.390 -3.134) 4.356 4.115 ( 8.990 3.406 -3.562) 10.252 4.194 ( -1.831 -0.565 -6.592) 6.865 4.777 ( -3.175 -1.329 -3.641) 5.010 4.906 ( 2.692 -2.609 0.447) 3.776 6.309 ( -2.541 2.327 12.520) 12.985 6.402 ( -0.485 6.190 5.094) 8.031 6.707 ( -4.012 5.912 0.557) 7.166 6.755 ( 1.084 0.509 -0.669) 1.372 6.911 ( 0.571 -1.488 -1.695) 2.327 7.096 ( -5.345 -2.216 10.268) 11.787 7.234 ( -2.994 -1.241 2.639) 4.180 7.418 ( 5.223 2.592 1.421) 6.002 7.485 ( 7.476 2.929 4.308) 9.112 7.529 ( 0.168 0.881 -2.662) 2.809 7.579 ( -2.918 -0.737 -1.507) 3.366 7.965 ( 5.030 1.352 -2.733) 5.882 8.111 ( 4.131 5.664 -5.595) 8.969 8.473 ( -4.590 -0.328 4.375) 6.350 8.547 ( -0.155 0.397 -2.415) 2.453 8.606 ( 0.303 -3.758 5.822) 6.936 8.888 ( 0.905 -3.524 1.984) 4.145 8.939 ( 1.126 0.843 -7.135) 7.272 9.124 ( 1.446 -0.196 -0.009) 1.459 9.179 ( -1.051 -1.504 -2.660) 3.231 9.333 ( -2.385 -4.114 -1.046) 4.869 9.496 ( -0.628 -0.178 -3.329) 3.393 9.529 ( -1.388 0.541 1.050) 1.823 9.801 ( 3.787 -2.162 -4.441) 6.224 ======================= Grid point 133 (67/136) ======================= q-point: (-0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -15.443 7.870 6.485) 18.506 1.436 ( -13.328 7.377 12.560) 19.743 1.957 ( 3.922 -0.333 1.959) 4.397 2.083 ( 0.768 4.932 8.987) 10.280 2.290 ( -2.122 -2.021 2.736) 4.009 2.377 ( -1.517 -2.678 0.814) 3.183 2.442 ( -0.846 -1.074 -1.180) 1.806 2.522 ( -1.452 -1.564 -8.011) 8.291 2.576 ( -9.920 8.502 7.962) 15.300 2.673 ( 4.875 -0.254 2.006) 5.278 2.747 ( 0.051 -1.743 -2.247) 2.844 2.904 ( -0.113 2.864 2.953) 4.116 2.958 ( 2.264 0.269 0.600) 2.358 3.115 ( 1.222 -4.282 3.264) 5.521 3.217 ( 3.334 -3.513 0.432) 4.863 3.323 ( -2.543 -0.409 -0.673) 2.662 3.552 ( 0.504 3.065 0.148) 3.109 3.686 ( 3.186 0.529 -2.066) 3.834 3.753 ( 1.561 2.240 2.989) 4.049 3.772 ( -0.421 -1.715 -5.216) 5.507 4.115 ( -3.695 -1.587 -5.052) 6.457 4.301 ( 9.333 1.393 -4.256) 10.352 4.692 ( -3.982 -1.193 -4.461) 6.097 4.941 ( 0.744 -2.518 -0.373) 2.652 6.288 ( -2.702 2.648 10.370) 11.039 6.424 ( 1.968 9.445 7.070) 11.961 6.627 ( -3.240 5.772 -1.547) 6.797 6.783 ( 1.538 -2.418 2.464) 3.779 6.924 ( 0.306 -1.096 0.815) 1.400 7.002 ( -4.678 -2.153 5.993) 7.901 7.212 ( -0.047 0.456 3.027) 3.062 7.450 ( -1.561 -0.741 -0.020) 1.729 7.533 ( 1.721 1.853 0.550) 2.588 7.621 ( 5.557 4.572 0.222) 7.199 7.679 ( 8.699 -0.653 2.389) 9.045 8.029 ( 1.660 1.003 -1.529) 2.470 8.172 ( 3.001 5.780 -6.060) 8.896 8.389 ( -4.304 0.318 4.204) 6.025 8.566 ( 2.766 -0.393 -4.349) 5.169 8.610 ( -1.278 -4.217 5.148) 6.776 8.880 ( -0.791 1.083 -5.133) 5.306 8.971 ( 2.473 -2.710 0.616) 3.720 9.113 ( -2.397 -1.218 -0.642) 2.765 9.178 ( 0.515 -0.057 -1.708) 1.785 9.293 ( -0.144 -6.071 -0.436) 6.088 9.447 ( -2.539 -1.723 -2.680) 4.074 9.527 ( 0.060 3.572 -0.405) 3.596 9.852 ( 1.943 -1.923 -3.719) 4.616 ======================= Grid point 134 (68/136) ======================= q-point: (-0.12 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -3.993 13.083 15.007) 20.305 1.219 ( -10.815 10.142 17.910) 23.250 1.960 ( -5.555 9.344 20.481) 23.187 2.132 ( -1.238 5.297 2.099) 5.831 2.250 ( -1.100 4.784 0.556) 4.940 2.313 ( -2.397 -0.914 5.008) 5.627 2.427 ( 0.098 -2.226 -4.576) 5.090 2.475 ( -0.519 -1.342 -4.633) 4.852 2.497 ( 0.089 -1.336 -1.700) 2.164 2.730 ( -0.279 -0.941 -2.878) 3.041 2.772 ( 3.898 0.332 -0.558) 3.951 2.938 ( 2.032 0.339 2.102) 2.943 2.975 ( -0.387 -2.846 1.351) 3.174 3.106 ( -0.785 -0.045 4.725) 4.790 3.268 ( -0.664 -0.893 -1.567) 1.922 3.385 ( 7.984 -2.521 1.342) 8.480 3.562 ( 0.649 0.888 -1.833) 2.138 3.674 ( -2.991 -0.495 -2.826) 4.144 3.712 ( -2.632 -0.615 -0.615) 2.772 3.820 ( 2.530 2.088 0.053) 3.280 4.022 ( -4.342 -2.280 -2.538) 5.522 4.452 ( 5.895 -4.683 -6.447) 9.912 4.620 ( -1.132 1.028 -2.226) 2.701 4.935 ( -1.006 -1.655 -1.971) 2.763 6.246 ( -3.289 3.802 6.270) 8.036 6.492 ( 1.166 8.284 1.700) 8.536 6.621 ( 4.224 4.732 3.944) 7.469 6.827 ( 1.346 -4.507 5.007) 6.870 6.912 ( -1.584 0.315 9.516) 9.653 6.995 ( 3.750 0.304 -2.169) 4.343 7.233 ( 0.881 1.284 4.613) 4.868 7.428 ( -0.503 -2.261 2.187) 3.186 7.571 ( 1.284 2.195 0.353) 2.568 7.707 ( 2.265 5.025 -2.158) 5.919 7.813 ( 3.618 -1.195 0.257) 3.819 8.028 ( -1.092 0.353 -0.786) 1.391 8.179 ( -1.002 5.204 -4.357) 6.861 8.333 ( -2.323 2.187 -0.508) 3.231 8.571 ( -2.663 -5.616 1.170) 6.324 8.622 ( 2.668 -1.737 -4.050) 5.151 8.863 ( 0.682 2.856 -5.605) 6.327 9.010 ( -0.315 -4.225 2.214) 4.780 9.072 ( 0.558 -2.191 -0.330) 2.285 9.174 ( 0.447 1.013 0.474) 1.205 9.336 ( 3.153 -5.142 0.246) 6.037 9.390 ( -2.282 -1.207 -2.135) 3.350 9.520 ( -0.497 3.953 -0.865) 4.077 9.850 ( -1.418 -1.241 -3.004) 3.546 ======================= Grid point 135 (69/136) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 3.379 16.283 12.258) 20.659 1.434 ( -0.144 16.897 12.753) 21.169 2.096 ( 0.554 4.114 -3.739) 5.587 2.176 ( -0.156 -4.291 6.569) 7.848 2.302 ( -0.378 -0.944 1.030) 1.448 2.366 ( 0.768 -2.573 0.073) 2.686 2.408 ( 1.390 1.023 -3.001) 3.462 2.440 ( 0.181 -2.320 -3.172) 3.934 2.500 ( -3.455 15.669 8.281) 18.056 2.726 ( 0.225 1.556 -4.097) 4.389 2.770 ( -1.037 -3.650 -2.149) 4.361 2.899 ( 0.917 -1.409 -1.148) 2.036 2.986 ( 1.836 2.694 3.063) 4.473 3.120 ( -1.673 0.207 2.742) 3.219 3.255 ( 0.109 -1.712 -1.386) 2.205 3.489 ( 2.972 0.782 0.815) 3.179 3.547 ( 0.107 -0.299 -3.170) 3.186 3.626 ( -2.833 0.000 0.055) 2.833 3.721 ( 1.824 1.710 4.042) 4.752 3.835 ( -2.945 -0.492 -1.108) 3.185 3.877 ( 0.043 -3.998 0.276) 4.008 4.258 ( -1.055 -12.025 -3.219) 12.493 4.706 ( 2.160 2.312 0.659) 3.232 4.873 ( -0.780 -1.929 -2.185) 3.017 6.302 ( -2.386 5.275 6.547) 8.739 6.622 ( 0.520 2.666 -2.105) 3.436 6.691 ( -2.597 -5.549 4.222) 7.440 6.750 ( 3.116 1.153 4.982) 5.988 7.003 ( 3.252 3.346 9.616) 10.688 7.200 ( 7.091 1.826 3.377) 8.064 7.305 ( 1.380 1.326 7.314) 7.561 7.394 ( -0.454 -0.776 3.967) 4.068 7.581 ( -3.023 2.220 -5.478) 6.638 7.799 ( -3.145 0.071 -2.364) 3.935 7.805 ( -2.750 5.066 2.251) 6.188 8.005 ( -0.698 -1.607 2.594) 3.130 8.235 ( -3.491 5.239 -5.813) 8.569 8.329 ( -2.424 2.843 -5.206) 6.408 8.454 ( 0.707 -1.527 -1.346) 2.154 8.563 ( -1.502 -3.822 -8.325) 9.283 8.870 ( 0.091 -3.102 1.075) 3.284 8.958 ( 1.327 1.243 -5.982) 6.253 9.039 ( 3.193 -4.874 -1.590) 6.039 9.197 ( -0.422 -3.480 -1.438) 3.789 9.298 ( 2.756 -0.578 1.358) 3.126 9.376 ( 2.511 -1.448 3.540) 4.575 9.584 ( -0.972 3.922 -1.662) 4.369 9.780 ( -2.414 -1.083 -2.583) 3.698 ======================= Grid point 136 (70/136) ======================= q-point: ( 0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 2.504 15.370 11.569) 19.400 1.503 ( 4.150 14.585 10.946) 18.702 2.062 ( -2.110 3.977 -6.052) 7.543 2.204 ( 1.342 0.752 4.126) 4.403 2.301 ( -0.669 -3.792 1.114) 4.008 2.365 ( -1.870 2.047 -3.456) 4.431 2.390 ( 0.263 -1.438 0.449) 1.529 2.440 ( -0.186 -4.554 3.113) 5.519 2.544 ( 3.889 7.622 3.319) 9.178 2.714 ( -1.362 0.140 -3.377) 3.644 2.750 ( 0.997 -0.928 -1.998) 2.418 2.900 ( -0.800 -3.106 -0.017) 3.207 3.039 ( 0.606 3.540 3.313) 4.887 3.092 ( -0.236 1.083 2.641) 2.864 3.228 ( -1.864 -3.717 -2.250) 4.728 3.475 ( -2.323 1.597 0.452) 2.855 3.498 ( -4.576 -0.391 2.185) 5.086 3.609 ( 1.518 -0.867 -1.676) 2.422 3.725 ( -2.541 0.434 2.884) 3.868 3.841 ( 2.874 1.685 0.710) 3.406 3.948 ( 6.267 -2.036 -3.148) 7.302 4.235 ( -0.735 -8.692 -3.286) 9.321 4.748 ( 1.437 0.358 1.031) 1.804 4.845 ( -1.247 -0.675 -2.666) 3.019 6.281 ( -1.130 5.270 5.871) 7.970 6.633 ( -3.639 -5.714 4.822) 8.316 6.650 ( 2.308 5.501 -1.491) 6.149 6.819 ( 2.407 0.709 3.440) 4.258 7.105 ( 3.538 4.258 11.476) 12.741 7.291 ( 0.412 1.013 5.224) 5.337 7.327 ( -2.507 -0.065 3.703) 4.472 7.384 ( -1.675 -2.537 2.330) 3.830 7.498 ( -1.506 2.749 -1.857) 3.643 7.693 ( -5.519 1.870 -1.684) 6.066 7.755 ( -2.364 6.130 2.645) 7.082 8.007 ( -1.436 0.116 0.758) 1.628 8.139 ( -1.438 1.095 -5.158) 5.466 8.313 ( -1.311 1.152 -3.844) 4.222 8.449 ( 0.635 0.385 -6.095) 6.140 8.525 ( 0.572 -3.648 -2.121) 4.258 8.894 ( 0.213 -4.839 4.002) 6.283 8.959 ( 1.645 2.218 -8.450) 8.890 9.084 ( 0.007 -5.197 -0.622) 5.235 9.190 ( 1.859 -4.029 -4.965) 6.659 9.351 ( 1.495 0.709 2.543) 3.034 9.432 ( 1.812 -0.047 2.118) 2.788 9.566 ( -0.288 1.599 -0.343) 1.661 9.714 ( -3.207 -0.673 -3.886) 5.084 ======================= Grid point 137 (71/136) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 3.660 12.172 7.165) 14.591 1.655 ( 7.052 9.670 9.239) 15.120 1.992 ( -3.371 6.415 -4.760) 8.670 2.229 ( -0.695 1.268 -3.413) 3.707 2.268 ( -2.082 -3.241 2.947) 4.850 2.308 ( -2.617 0.760 0.552) 2.781 2.397 ( -0.232 -3.506 -1.208) 3.716 2.462 ( 1.330 -6.528 5.757) 8.805 2.593 ( 0.064 0.434 -0.477) 0.648 2.647 ( -3.363 -1.315 -3.382) 4.947 2.829 ( 5.107 0.507 -1.919) 5.479 2.868 ( -1.932 -5.435 1.729) 6.022 2.977 ( -3.841 1.514 1.282) 4.324 3.140 ( 0.275 0.657 0.256) 0.757 3.212 ( 1.805 1.902 1.603) 3.074 3.402 ( -4.429 -0.256 3.872) 5.889 3.486 ( 2.867 0.215 2.362) 3.721 3.633 ( 0.077 -0.946 -3.246) 3.382 3.704 ( 1.625 2.471 2.041) 3.594 3.878 ( -0.007 5.261 2.465) 5.810 4.066 ( 5.613 -1.994 -5.181) 7.894 4.204 ( -1.642 -2.750 -3.209) 4.534 4.757 ( -0.560 -0.473 -0.336) 0.806 4.826 ( -0.042 -1.035 -1.136) 1.537 6.288 ( 0.416 4.448 6.166) 7.614 6.569 ( -3.698 -2.337 5.132) 6.743 6.707 ( 3.154 5.643 -0.100) 6.465 6.861 ( 1.326 1.261 1.515) 2.376 7.125 ( -4.901 3.758 4.813) 7.830 7.245 ( -4.249 1.147 -0.559) 4.437 7.298 ( 0.469 2.638 10.174) 10.521 7.335 ( -3.063 -2.920 2.226) 4.781 7.514 ( -0.404 -1.055 4.430) 4.571 7.619 ( -0.500 5.661 2.205) 6.096 7.721 ( -2.587 1.314 1.014) 3.073 7.930 ( -3.013 5.866 -6.795) 9.469 8.190 ( 3.113 -1.300 0.393) 3.396 8.229 ( -2.004 -3.010 -4.920) 6.106 8.487 ( 2.847 1.667 -2.185) 3.957 8.560 ( 2.407 -2.975 1.316) 4.047 8.875 ( -2.105 -4.067 0.585) 4.617 8.992 ( 2.458 1.111 -5.045) 5.721 9.045 ( -2.520 -5.002 -1.533) 5.807 9.224 ( 1.504 -2.334 -4.662) 5.426 9.368 ( 0.405 0.747 0.879) 1.223 9.463 ( 1.232 1.086 -0.070) 1.644 9.567 ( -0.261 -1.865 1.674) 2.519 9.644 ( -2.167 -1.609 -5.745) 6.347 ======================= Grid point 138 (72/136) ======================= q-point: ( 0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 8.213 5.946 3.180) 10.626 1.800 ( 4.875 5.057 6.471) 9.551 1.915 ( -2.979 7.097 -1.983) 7.948 2.138 ( -5.704 1.132 -3.987) 7.051 2.212 ( -4.352 -4.622 4.389) 7.718 2.299 ( -0.296 1.514 1.321) 2.030 2.380 ( -1.112 -3.878 1.586) 4.335 2.487 ( -0.435 -1.672 -0.595) 1.827 2.561 ( -1.519 -7.969 2.955) 8.634 2.614 ( 0.639 1.256 -4.719) 4.925 2.779 ( -3.842 -3.491 -0.237) 5.197 2.896 ( 0.367 -2.310 -4.700) 5.250 3.007 ( 5.080 -1.887 1.419) 5.602 3.107 ( -2.477 -2.733 0.666) 3.748 3.230 ( -2.051 3.865 6.673) 7.980 3.388 ( 2.313 1.470 1.424) 3.088 3.561 ( 2.520 -1.538 2.730) 4.021 3.614 ( 0.340 0.393 -2.781) 2.829 3.799 ( 5.785 5.353 0.468) 7.896 3.857 ( -1.878 9.314 3.242) 10.039 4.094 ( -2.392 2.570 -3.875) 5.229 4.187 ( 1.674 -1.836 -3.887) 4.614 4.749 ( 0.429 -1.421 -0.587) 1.596 4.823 ( -0.372 -2.069 -0.663) 2.204 6.324 ( 1.241 3.399 7.404) 8.241 6.519 ( -2.369 0.681 5.591) 6.110 6.762 ( 1.921 5.838 0.802) 6.199 6.885 ( 0.898 1.793 -0.420) 2.049 7.017 ( -5.211 3.279 1.994) 6.472 7.163 ( -3.640 1.272 1.311) 4.072 7.279 ( -2.974 -3.718 3.957) 6.191 7.349 ( 1.005 2.768 9.367) 9.819 7.485 ( -1.974 2.798 5.337) 6.341 7.612 ( -4.954 -4.318 -4.081) 7.736 7.670 ( 0.650 3.178 2.665) 4.198 7.900 ( 1.076 7.014 -5.500) 8.978 8.153 ( -0.083 5.086 -5.302) 7.347 8.321 ( 4.807 -8.908 4.670) 11.148 8.532 ( 1.952 1.060 -0.090) 2.223 8.603 ( 1.089 -0.109 1.401) 1.778 8.818 ( -3.585 -4.044 0.140) 5.406 8.994 ( -0.778 -1.001 -2.454) 2.763 9.024 ( 1.167 -2.360 -5.415) 6.021 9.224 ( -0.289 0.391 -2.526) 2.572 9.376 ( -0.127 -0.443 0.041) 0.463 9.484 ( 1.227 0.875 -2.115) 2.597 9.545 ( -2.130 -3.754 0.862) 4.402 9.623 ( 1.567 -3.197 -5.219) 6.318 ======================= Grid point 139 (73/136) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -3.203 6.002 2.005) 7.093 1.860 ( -0.323 5.004 1.257) 5.169 1.897 ( -1.347 2.570 0.705) 2.986 2.081 ( 6.020 -1.435 -1.206) 6.305 2.135 ( -5.184 -2.983 8.706) 10.562 2.278 ( -0.724 -2.151 0.010) 2.270 2.361 ( -1.460 -2.599 0.508) 3.024 2.487 ( 1.834 0.908 -1.323) 2.437 2.537 ( -1.442 -6.973 -1.921) 7.375 2.633 ( 1.678 -1.717 -1.410) 2.784 2.745 ( 1.089 -1.051 -2.101) 2.589 2.895 ( 0.370 0.326 -2.009) 2.069 3.025 ( -3.290 -3.457 1.773) 5.091 3.107 ( 1.107 -3.244 -0.897) 3.543 3.194 ( -2.165 1.025 6.747) 7.160 3.457 ( 3.004 1.573 0.692) 3.461 3.581 ( 0.291 -0.736 1.602) 1.787 3.649 ( 2.245 -1.337 -2.677) 3.741 3.777 ( -4.061 9.139 3.660) 10.649 3.902 ( -1.464 10.580 0.689) 10.703 4.073 ( 4.935 5.647 -1.775) 7.707 4.199 ( -0.087 -2.307 -4.383) 4.954 4.775 ( 1.734 -2.646 -0.350) 3.183 4.802 ( -1.113 -2.849 -0.996) 3.217 6.362 ( 0.122 3.121 9.429) 9.933 6.509 ( 0.017 3.532 5.781) 6.775 6.777 ( -1.020 4.287 0.850) 4.488 6.889 ( 0.306 2.010 -1.832) 2.736 6.941 ( -3.485 3.505 0.514) 4.969 7.109 ( -2.520 -0.404 4.411) 5.096 7.228 ( -3.261 -4.454 4.959) 7.420 7.394 ( 2.413 2.717 4.856) 6.065 7.463 ( -1.830 1.468 3.162) 3.937 7.541 ( 0.593 -2.225 -4.621) 5.163 7.661 ( -2.341 4.329 4.169) 6.449 7.933 ( 3.333 4.583 -3.475) 6.647 8.179 ( 3.338 6.195 -4.807) 8.522 8.398 ( 1.342 -9.143 6.400) 11.241 8.562 ( 0.400 1.658 1.559) 2.310 8.603 ( -0.903 1.903 -1.733) 2.728 8.764 ( -0.900 -4.794 1.834) 5.211 8.990 ( 0.885 0.547 -4.353) 4.475 9.026 ( 0.611 -3.594 -5.501) 6.599 9.205 ( -1.205 0.595 -1.545) 2.047 9.351 ( -2.455 -0.555 -0.101) 2.519 9.488 ( -1.364 -2.635 -3.051) 4.256 9.522 ( 1.115 -0.961 0.167) 1.482 9.668 ( 3.792 -3.797 -4.090) 6.747 ======================= Grid point 140 (74/136) ======================= q-point: (-0.38 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -11.787 7.677 2.970) 14.377 1.790 ( -7.194 7.386 3.800) 10.988 1.898 ( 2.847 2.753 0.057) 3.961 2.081 ( -0.807 -0.920 8.021) 8.114 2.234 ( 2.221 -3.028 1.183) 3.937 2.303 ( 4.047 -4.941 0.161) 6.389 2.337 ( 0.340 -3.344 -1.578) 3.713 2.490 ( -1.293 -5.151 -5.525) 7.664 2.565 ( 5.202 0.767 -0.246) 5.264 2.676 ( 2.987 -0.929 -1.589) 3.509 2.797 ( 3.990 -3.183 -2.959) 5.900 2.890 ( -1.205 5.101 2.146) 5.663 2.967 ( -1.502 -2.350 1.394) 3.118 3.074 ( -3.591 1.375 3.123) 4.954 3.194 ( 0.281 -3.129 -0.114) 3.143 3.454 ( -4.654 4.235 2.836) 6.902 3.578 ( -1.476 -2.103 2.695) 3.723 3.664 ( 0.845 -0.017 -3.186) 3.296 3.752 ( 0.890 4.697 0.579) 4.815 3.842 ( -2.270 8.438 2.745) 9.159 4.152 ( -2.534 -1.425 -3.758) 4.751 4.218 ( 6.660 3.843 -2.475) 8.078 4.741 ( -2.940 -1.977 -2.287) 4.216 4.836 ( 2.464 -3.848 0.595) 4.608 6.373 ( -1.438 3.806 10.946) 11.677 6.544 ( 1.857 5.524 6.021) 8.379 6.736 ( -2.502 0.036 0.760) 2.616 6.842 ( -5.417 3.671 -3.651) 7.494 6.916 ( 2.242 2.385 -0.771) 3.363 7.059 ( -4.710 -0.114 7.198) 8.603 7.196 ( -0.567 -2.348 4.953) 5.511 7.449 ( 1.482 -5.046 -4.932) 7.210 7.478 ( 2.461 2.972 1.944) 4.321 7.569 ( 3.298 1.769 2.556) 4.532 7.655 ( 1.362 7.440 6.884) 10.227 8.003 ( 3.757 1.536 -1.911) 4.486 8.243 ( 4.024 6.386 -5.520) 9.351 8.415 ( -0.914 -5.134 5.771) 7.778 8.531 ( -2.376 0.077 1.418) 2.768 8.591 ( -0.421 0.763 -2.413) 2.565 8.796 ( 2.824 -4.139 2.914) 5.796 8.981 ( -0.365 3.034 -8.749) 9.268 9.051 ( 3.106 -6.618 -1.821) 7.534 9.159 ( -3.119 -0.689 -2.090) 3.817 9.285 ( -3.792 -0.619 -0.429) 3.866 9.444 ( -1.995 -3.539 -2.199) 4.620 9.559 ( 2.166 1.514 -0.813) 2.765 9.740 ( 3.976 -3.589 -3.184) 6.231 ======================= Grid point 141 (75/136) ======================= q-point: (-0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -9.209 13.158 6.140) 17.194 1.626 ( -9.903 10.364 9.851) 17.393 1.978 ( 4.094 2.282 1.434) 4.902 2.154 ( 6.130 0.202 2.699) 6.701 2.221 ( -1.770 -5.309 0.366) 5.608 2.319 ( -0.277 -0.386 0.651) 0.806 2.385 ( 1.337 -4.184 -1.632) 4.686 2.456 ( -0.346 -4.458 -6.943) 8.258 2.673 ( 4.631 0.706 -1.153) 4.824 2.729 ( 2.453 0.164 -2.432) 3.458 2.778 ( -6.294 5.249 4.914) 9.556 2.912 ( 2.253 1.771 0.339) 2.886 2.980 ( -3.115 -4.326 -0.889) 5.405 3.056 ( 6.554 3.735 3.592) 8.355 3.195 ( 0.646 0.474 -0.248) 0.839 3.330 ( -6.078 3.281 3.921) 7.942 3.562 ( -0.658 -2.897 0.825) 3.083 3.672 ( 0.449 -1.382 -2.560) 2.944 3.750 ( -1.126 1.444 -0.590) 1.924 3.850 ( 1.153 4.928 2.735) 5.753 4.067 ( -4.731 -2.443 -2.353) 5.822 4.306 ( 2.198 -1.989 -3.394) 4.506 4.682 ( -1.903 0.705 -1.639) 2.609 4.874 ( 1.154 -3.761 0.004) 3.934 6.362 ( -2.223 4.159 10.428) 11.445 6.609 ( 2.885 5.896 6.462) 9.211 6.696 ( -1.881 -4.058 0.975) 4.578 6.733 ( -3.737 2.996 -2.546) 5.425 6.967 ( 1.746 2.495 -1.471) 3.382 6.977 ( -2.805 3.570 6.551) 7.971 7.216 ( 0.875 -0.236 5.982) 6.050 7.422 ( -1.804 -2.695 -0.909) 3.368 7.550 ( 3.658 0.993 -0.014) 3.790 7.694 ( 6.724 1.051 2.403) 7.217 7.732 ( 4.251 6.228 4.671) 8.870 8.051 ( 0.749 -0.074 0.395) 0.850 8.303 ( 3.022 6.388 -7.060) 9.990 8.390 ( -1.905 -0.089 2.319) 3.002 8.519 ( -0.280 -2.811 3.372) 4.399 8.563 ( -0.603 -0.928 -5.647) 5.754 8.871 ( 3.486 -2.168 3.439) 5.355 8.941 ( -1.203 0.883 -8.231) 8.365 9.071 ( -4.276 -3.189 -4.058) 6.702 9.131 ( 4.462 -5.616 0.113) 7.174 9.215 ( -2.523 0.359 0.038) 2.549 9.399 ( -1.980 -2.937 -2.176) 4.157 9.593 ( 1.244 3.000 -0.898) 3.369 9.799 ( 2.352 -3.093 -2.632) 4.693 ======================= Grid point 142 (76/136) ======================= q-point: (-0.12 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -0.510 17.547 10.324) 20.365 1.478 ( -6.951 14.202 12.554) 20.189 2.055 ( 2.970 2.984 2.915) 5.120 2.186 ( -1.520 -4.797 0.955) 5.121 2.292 ( 4.680 -5.021 -0.317) 6.871 2.320 ( 1.332 2.212 0.749) 2.688 2.386 ( 0.142 -1.845 -2.640) 3.223 2.443 ( 0.482 -2.696 -6.199) 6.777 2.628 ( -9.522 15.215 9.442) 20.281 2.724 ( 1.155 0.678 -3.179) 3.450 2.772 ( 1.995 -0.437 -2.292) 3.070 2.904 ( -2.362 -1.792 -0.780) 3.066 2.951 ( 1.531 1.216 1.417) 2.415 3.144 ( -0.665 2.337 2.753) 3.672 3.230 ( 1.569 -1.179 -0.316) 1.988 3.354 ( 8.178 0.089 2.723) 8.620 3.549 ( -0.285 -2.064 -2.693) 3.405 3.666 ( -0.789 -1.169 -1.189) 1.845 3.717 ( -1.712 1.451 0.806) 2.384 3.864 ( -0.485 1.530 1.735) 2.364 3.959 ( -5.608 -3.134 -0.617) 6.454 4.296 ( -1.521 -9.870 -3.512) 10.586 4.671 ( 0.970 3.310 -0.353) 3.468 4.884 ( 0.085 -3.131 -1.056) 3.305 6.336 ( -2.661 4.637 8.322) 9.891 6.641 ( -1.740 0.801 -2.641) 3.262 6.682 ( 2.276 3.161 5.250) 6.537 6.709 ( -0.418 -3.969 4.498) 6.013 6.944 ( 0.058 2.092 7.147) 7.447 7.055 ( 5.787 5.938 0.101) 8.292 7.257 ( 1.525 0.692 6.630) 6.838 7.397 ( -0.951 -1.246 3.000) 3.385 7.602 ( 1.440 1.516 -1.656) 2.667 7.799 ( 2.992 0.398 0.734) 3.106 7.816 ( 2.119 4.325 1.252) 4.976 8.035 ( -2.154 -0.655 1.827) 2.900 8.294 ( -1.767 5.566 -5.364) 7.929 8.390 ( 0.765 3.179 -4.468) 5.537 8.469 ( -3.535 -3.239 0.156) 4.797 8.576 ( 1.740 -2.865 -5.958) 6.836 8.900 ( -1.581 -1.051 -4.332) 4.729 8.932 ( 1.507 -0.820 0.251) 1.734 9.003 ( 0.131 -3.991 -3.292) 5.175 9.191 ( 0.258 -1.633 1.131) 2.003 9.227 ( 4.362 -3.020 0.221) 5.310 9.359 ( -1.283 -1.937 -0.400) 2.357 9.601 ( -0.176 3.951 -1.376) 4.187 9.815 ( -0.230 -2.227 -2.356) 3.250 ======================= Grid point 143 (77/136) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 1.615 14.220 8.186) 16.487 1.783 ( 1.793 14.765 5.654) 15.912 2.019 ( 1.021 -8.911 7.012) 11.385 2.128 ( 1.302 -12.044 2.301) 12.330 2.206 ( 1.505 5.628 -2.623) 6.389 2.314 ( 0.916 -3.930 -0.739) 4.102 2.391 ( -1.019 -0.548 -0.927) 1.483 2.398 ( 0.011 -1.402 -4.691) 4.896 2.722 ( -1.719 3.222 -3.091) 4.785 2.742 ( -0.689 0.579 -3.519) 3.632 2.768 ( -0.500 2.253 -3.463) 4.162 2.844 ( -0.432 -4.108 -2.930) 5.065 3.129 ( 0.478 2.729 -0.031) 2.771 3.167 ( -0.459 1.650 -0.249) 1.731 3.282 ( -2.020 12.873 3.755) 13.560 3.503 ( 0.632 -2.239 -1.519) 2.779 3.537 ( 2.272 0.721 -0.319) 2.405 3.603 ( -0.745 -3.736 0.696) 3.873 3.748 ( 1.984 0.923 4.192) 4.729 3.778 ( -0.617 -2.888 1.976) 3.553 3.862 ( -2.283 2.383 2.035) 3.877 4.000 ( -2.080 -11.289 2.427) 11.733 4.761 ( 0.884 2.878 0.681) 3.087 4.821 ( 0.200 -2.882 -0.310) 2.906 6.412 ( -1.924 5.459 6.625) 8.797 6.532 ( -1.488 -6.292 5.599) 8.553 6.693 ( 1.264 2.291 0.290) 2.633 6.745 ( 2.382 -2.145 2.117) 3.841 7.103 ( 3.177 5.994 9.895) 11.997 7.203 ( 3.274 -2.800 8.629) 9.645 7.336 ( 1.234 2.350 2.256) 3.484 7.377 ( 0.160 -1.306 2.142) 2.514 7.652 ( -3.271 4.921 -1.124) 6.015 7.759 ( -3.361 -4.190 -0.885) 5.444 7.902 ( -1.272 3.548 3.024) 4.832 7.957 ( -1.448 -2.413 3.845) 4.765 8.339 ( -3.956 4.931 -9.288) 11.235 8.386 ( -1.702 2.349 -3.751) 4.742 8.447 ( 0.551 -0.813 -6.193) 6.270 8.471 ( -1.399 -4.379 -7.103) 8.460 8.844 ( 0.521 1.689 -0.062) 1.769 8.927 ( 2.614 -5.353 -2.728) 6.552 9.010 ( 1.070 3.381 -5.508) 6.551 9.099 ( 0.141 -5.071 -3.667) 6.259 9.310 ( 3.004 1.308 3.683) 4.929 9.343 ( 2.473 -1.721 4.276) 5.231 9.668 ( -1.299 3.991 -2.544) 4.908 9.740 ( -1.642 -2.837 -2.740) 4.272 ======================= Grid point 144 (78/136) ======================= q-point: ( 0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 3.335 13.126 6.578) 15.056 1.832 ( 0.678 14.215 5.708) 15.333 2.054 ( 0.860 -6.117 3.620) 7.160 2.154 ( 0.093 -10.422 2.836) 10.801 2.235 ( 2.209 3.647 -0.781) 4.335 2.320 ( -1.372 -3.793 -3.212) 5.157 2.348 ( -1.910 -0.822 2.145) 2.987 2.367 ( -1.631 -2.077 -2.726) 3.795 2.682 ( -1.915 3.795 -2.331) 4.848 2.725 ( -0.308 3.369 -5.355) 6.334 2.750 ( 0.125 -1.663 -3.319) 3.714 2.817 ( -1.645 -4.714 -2.598) 5.629 3.076 ( -4.045 1.866 1.076) 4.582 3.134 ( -3.114 -3.171 -2.022) 4.883 3.307 ( 2.875 12.152 2.101) 12.663 3.463 ( -3.409 -2.929 -0.577) 4.531 3.521 ( -2.613 2.074 3.259) 4.664 3.578 ( -0.256 -2.761 0.176) 2.778 3.765 ( 0.118 5.065 4.127) 6.534 3.862 ( 5.462 -0.557 1.527) 5.699 3.922 ( 5.724 -0.141 0.731) 5.773 4.017 ( 2.989 -10.755 1.274) 11.235 4.775 ( 0.215 1.971 0.518) 2.049 4.817 ( -0.547 -1.855 -0.757) 2.077 6.393 ( -1.386 5.569 5.867) 8.208 6.511 ( -1.815 -5.891 5.048) 7.967 6.742 ( 3.251 3.824 0.620) 5.057 6.810 ( 3.196 -2.263 2.396) 4.591 7.193 ( 1.965 4.486 12.829) 13.732 7.275 ( 0.244 -3.012 12.408) 12.771 7.339 ( -0.902 1.244 -3.541) 3.860 7.356 ( -2.444 -0.401 -2.719) 3.678 7.567 ( -3.818 4.729 3.060) 6.804 7.674 ( -3.770 -4.012 1.893) 5.822 7.873 ( -2.521 4.841 2.445) 5.980 7.964 ( 1.473 -3.886 3.971) 5.748 8.214 ( -5.270 6.228 -10.632) 13.401 8.321 ( -3.996 -2.079 -7.206) 8.498 8.452 ( 2.633 -0.613 -4.384) 5.151 8.465 ( 1.501 -1.331 -2.969) 3.583 8.861 ( -0.071 2.172 2.524) 3.331 8.959 ( 0.064 -6.158 -0.207) 6.162 9.018 ( 1.890 3.349 -8.174) 9.033 9.100 ( 2.203 -4.418 -6.845) 8.440 9.372 ( 1.903 1.388 3.877) 4.536 9.406 ( 2.276 -1.810 4.374) 5.252 9.622 ( -2.394 3.241 -2.975) 5.009 9.682 ( -3.147 -2.352 -3.625) 5.346 ======================= Grid point 145 (79/136) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -1.422 12.764 4.040) 13.463 1.870 ( 3.348 9.834 3.960) 11.117 2.069 ( -0.013 -1.824 -1.124) 2.143 2.134 ( -2.244 -9.264 2.411) 9.832 2.243 ( -3.490 0.327 -2.590) 4.358 2.278 ( 0.799 -2.355 0.679) 2.578 2.336 ( -0.797 -1.148 1.384) 1.967 2.352 ( 0.353 -2.247 3.710) 4.352 2.622 ( -3.476 3.283 -1.557) 5.028 2.690 ( -1.788 2.171 -5.929) 6.562 2.745 ( -0.895 -4.394 -2.972) 5.380 2.788 ( 0.744 -3.339 -5.212) 6.234 3.011 ( -2.137 1.921 1.661) 3.318 3.071 ( -2.224 -3.874 -1.085) 4.597 3.347 ( 0.252 5.093 1.535) 5.325 3.395 ( -2.887 -0.729 2.449) 3.856 3.516 ( 1.248 2.869 3.956) 5.044 3.587 ( 0.488 -3.289 -0.587) 3.377 3.820 ( 4.717 8.687 3.122) 10.367 3.958 ( 3.900 0.202 0.600) 3.951 4.022 ( 3.671 -1.017 0.764) 3.885 4.096 ( 3.895 -6.425 -0.837) 7.560 4.767 ( -1.097 1.330 -0.165) 1.732 4.799 ( -0.954 -1.530 -0.682) 1.928 6.389 ( -0.399 5.097 5.861) 7.778 6.491 ( -1.282 -4.609 4.928) 6.868 6.815 ( 3.626 4.266 0.652) 5.637 6.873 ( 2.356 -0.932 1.830) 3.125 7.188 ( -5.170 2.540 7.030) 9.088 7.245 ( -3.796 -3.345 6.403) 8.161 7.288 ( -2.420 3.029 -2.304) 4.510 7.343 ( 0.759 -0.568 2.824) 2.979 7.519 ( -3.130 2.641 5.532) 6.883 7.614 ( -4.232 -5.089 2.903) 7.228 7.836 ( -0.841 9.096 2.301) 9.420 8.030 ( 3.189 -9.172 3.016) 10.168 8.106 ( -2.232 8.759 -7.175) 11.540 8.232 ( -2.385 -2.243 -5.635) 6.518 8.500 ( 2.487 -0.019 -1.650) 2.985 8.518 ( 3.961 -1.301 -1.004) 4.288 8.842 ( -2.090 1.791 1.549) 3.159 8.930 ( -2.297 -5.717 -0.577) 6.188 9.051 ( 3.032 4.130 -7.393) 8.994 9.146 ( 3.295 -4.690 -6.597) 8.738 9.400 ( 0.175 2.088 2.264) 3.085 9.447 ( 0.945 -2.199 2.693) 3.603 9.565 ( -2.498 1.530 -2.614) 3.926 9.606 ( -3.126 -2.080 -4.413) 5.794 ======================= Grid point 146 (80/136) ======================= q-point: ( 0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 2.005 7.100 2.005) 7.646 1.910 ( -0.159 2.886 0.967) 3.048 2.040 ( -2.092 3.234 -1.796) 4.250 2.104 ( -1.561 -3.549 -1.252) 4.074 2.168 ( -3.606 1.719 1.646) 4.321 2.257 ( -2.413 -5.353 1.891) 6.169 2.340 ( -0.181 -0.128 2.888) 2.897 2.372 ( 0.379 -4.116 4.616) 6.196 2.555 ( -2.142 3.779 -2.200) 4.869 2.635 ( -1.685 -1.797 -4.191) 4.861 2.725 ( 0.290 0.352 -4.919) 4.941 2.799 ( 1.418 -5.282 -6.828) 8.748 3.004 ( 0.452 1.119 1.487) 1.915 3.044 ( -0.490 -2.705 0.132) 2.752 3.323 ( -2.848 4.250 6.953) 8.633 3.391 ( 1.093 -1.870 2.205) 3.092 3.553 ( 1.226 1.275 2.448) 3.020 3.594 ( 0.991 -1.995 -0.973) 2.431 3.933 ( 3.738 7.056 1.380) 8.103 4.033 ( 4.653 5.290 0.409) 7.057 4.070 ( 0.826 -2.444 -0.536) 2.635 4.153 ( 2.329 -2.736 -1.023) 3.736 4.740 ( -1.208 0.774 -0.414) 1.493 4.775 ( -1.332 -2.327 -0.541) 2.735 6.407 ( 0.619 4.381 6.802) 8.114 6.489 ( -0.063 -3.143 5.476) 6.314 6.876 ( 2.077 3.973 0.628) 4.527 6.913 ( 1.320 0.297 0.828) 1.587 7.086 ( -5.987 3.786 3.705) 7.994 7.179 ( -4.553 -5.055 4.613) 8.220 7.233 ( -2.392 5.937 -0.471) 6.418 7.368 ( 0.817 -3.693 1.920) 4.241 7.473 ( -1.976 -0.728 3.300) 3.915 7.510 ( -5.105 -3.333 3.491) 7.026 7.844 ( -0.031 10.488 2.948) 10.895 8.018 ( -1.690 -1.545 -4.632) 5.167 8.158 ( 4.692 -0.919 4.422) 6.513 8.213 ( 1.472 -0.989 -2.210) 2.833 8.551 ( 2.682 1.110 -0.183) 2.908 8.586 ( 2.539 -1.759 0.933) 3.227 8.792 ( -3.024 2.098 -0.652) 3.737 8.883 ( -1.795 -5.873 -1.928) 6.437 9.088 ( 2.098 4.677 -6.549) 8.317 9.184 ( 1.780 -3.978 -5.389) 6.931 9.394 ( -1.098 2.204 0.791) 2.586 9.456 ( -0.901 -3.531 1.366) 3.892 9.515 ( -1.033 1.415 -3.062) 3.528 9.560 ( 0.072 -2.743 -3.846) 4.725 ======================= Grid point 147 (81/136) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -1.331 3.319 1.696) 3.957 1.917 ( 1.995 0.072 0.416) 2.039 1.977 ( -2.967 4.246 -1.166) 5.310 2.040 ( -2.060 -1.684 -2.825) 3.881 2.138 ( -0.846 2.474 5.370) 5.973 2.217 ( -1.916 -3.981 3.117) 5.407 2.331 ( -0.905 0.076 0.993) 1.346 2.383 ( 0.075 -5.239 1.010) 5.336 2.544 ( 1.714 4.084 -2.439) 5.056 2.623 ( 1.445 -1.995 -3.380) 4.183 2.733 ( 1.559 1.062 -4.835) 5.190 2.813 ( 1.622 -6.255 -6.289) 9.017 3.007 ( -0.655 1.456 1.008) 1.888 3.048 ( 0.641 -2.415 -0.130) 2.502 3.282 ( -3.075 6.342 8.556) 11.085 3.414 ( 0.003 -5.554 4.515) 7.158 3.583 ( 1.421 1.844 0.664) 2.420 3.624 ( 1.809 -1.674 -1.536) 2.904 3.936 ( -2.542 6.829 1.270) 7.396 4.041 ( -3.353 -1.335 -0.385) 3.629 4.158 ( 5.687 3.834 -0.286) 6.865 4.191 ( 1.772 1.507 -0.946) 2.511 4.730 ( 0.506 -1.216 -0.271) 1.345 4.743 ( -1.595 -2.337 -0.629) 2.898 6.441 ( 0.586 4.237 8.286) 9.325 6.516 ( 1.116 -2.412 6.538) 7.057 6.892 ( -3.073 5.018 0.458) 5.902 6.920 ( 0.304 1.155 0.607) 1.340 6.987 ( -3.514 1.973 0.826) 4.114 7.078 ( -4.181 -4.967 1.717) 6.716 7.205 ( -1.364 4.967 2.814) 5.869 7.352 ( -2.017 -7.390 -2.240) 7.981 7.468 ( 2.019 2.152 4.176) 5.113 7.508 ( 2.221 -1.475 4.298) 5.058 7.834 ( -1.368 9.731 3.577) 10.457 7.984 ( -0.797 -2.500 -1.894) 3.236 8.257 ( 4.119 -0.433 2.392) 4.783 8.265 ( 3.343 -0.671 1.617) 3.774 8.591 ( 0.370 1.151 0.580) 1.340 8.615 ( -0.022 -1.079 0.516) 1.196 8.735 ( -1.082 3.232 -1.607) 3.768 8.860 ( 0.315 -7.596 -2.359) 7.960 9.095 ( 0.241 4.960 -7.144) 8.700 9.184 ( -0.692 -2.950 -4.867) 5.733 9.358 ( -2.579 1.520 0.277) 3.006 9.413 ( -2.666 -3.578 -0.626) 4.505 9.533 ( 2.866 1.717 -2.069) 3.930 9.589 ( 3.394 -3.534 -2.883) 5.685 ======================= Grid point 148 (82/136) ======================= q-point: (-0.38 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -6.726 8.054 2.524) 10.792 1.892 ( -3.431 0.343 1.153) 3.636 1.968 ( 1.313 3.539 -0.376) 3.793 2.047 ( 0.140 -2.657 5.614) 6.213 2.160 ( 0.202 -1.814 0.849) 2.013 2.206 ( 2.101 -4.002 1.403) 4.733 2.330 ( 0.928 1.614 -0.433) 1.912 2.384 ( 0.380 -3.804 -2.782) 4.727 2.607 ( 5.109 3.499 -2.937) 6.853 2.671 ( 3.829 -1.079 -2.765) 4.845 2.758 ( 1.933 0.013 -4.145) 4.574 2.830 ( 1.575 -6.818 -5.557) 8.936 2.993 ( -0.670 3.288 0.762) 3.441 3.058 ( 0.458 -3.039 -0.300) 3.088 3.255 ( -1.231 7.829 7.591) 10.974 3.419 ( -0.320 -7.020 4.605) 8.402 3.588 ( -2.065 3.149 1.138) 3.933 3.642 ( 0.073 -1.881 -1.508) 2.412 3.873 ( -3.394 6.058 0.722) 6.981 3.959 ( -4.122 -0.315 0.716) 4.196 4.161 ( -2.941 4.433 0.128) 5.322 4.252 ( 1.281 -1.798 -0.864) 2.371 4.717 ( -0.383 0.324 -0.822) 0.962 4.759 ( 1.990 -3.308 0.025) 3.860 6.462 ( -0.822 4.691 9.118) 10.287 6.553 ( 0.429 -3.490 7.095) 7.918 6.791 ( -4.998 3.823 -0.020) 6.293 6.849 ( -6.030 -1.741 -1.452) 6.442 6.994 ( 3.070 4.474 0.667) 5.467 7.070 ( 0.161 -1.765 4.690) 5.013 7.190 ( -0.149 3.938 3.093) 5.010 7.320 ( -0.120 -7.090 -3.020) 7.707 7.540 ( 3.152 2.768 2.388) 4.827 7.579 ( 4.137 -0.762 3.043) 5.192 7.831 ( 0.279 8.710 5.737) 10.434 7.979 ( 0.392 -4.669 1.366) 4.880 8.334 ( 3.843 1.767 -1.746) 4.576 8.343 ( 3.320 -0.914 3.578) 4.966 8.553 ( -2.998 1.742 -1.478) 3.769 8.587 ( -2.221 -1.219 -1.829) 3.125 8.770 ( 3.812 2.646 0.832) 4.714 8.892 ( 3.202 -7.947 -1.262) 8.660 9.059 ( -2.075 4.077 -7.918) 9.144 9.129 ( -3.500 -2.421 -4.998) 6.564 9.300 ( -2.861 2.031 -0.411) 3.533 9.364 ( -1.897 -3.901 -1.535) 4.601 9.598 ( 3.615 2.491 -1.412) 4.612 9.663 ( 4.115 -3.665 -2.143) 5.913 ======================= Grid point 149 (83/136) ======================= q-point: (-0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -3.598 13.130 4.136) 14.229 1.823 ( -3.939 5.780 4.702) 8.428 1.982 ( -0.350 -3.275 4.072) 5.237 2.072 ( 0.827 -5.969 5.649) 8.260 2.154 ( 0.810 1.634 -2.093) 2.776 2.265 ( 2.419 -6.326 -1.794) 7.006 2.358 ( 1.645 1.761 -1.151) 2.671 2.388 ( 0.845 -1.575 -4.014) 4.394 2.711 ( 4.816 2.854 -3.232) 6.465 2.737 ( 2.755 0.354 -2.780) 3.930 2.784 ( 1.251 -0.464 -3.630) 3.867 2.851 ( 1.597 -6.334 -4.679) 8.035 3.001 ( 1.944 4.293 0.503) 4.740 3.080 ( 2.372 -3.054 -0.615) 3.915 3.284 ( 2.809 7.894 5.955) 10.280 3.425 ( -0.687 -2.747 2.141) 3.550 3.506 ( -5.213 4.460 3.986) 7.934 3.622 ( -1.321 -3.972 -1.031) 4.311 3.812 ( -2.962 4.133 0.318) 5.095 3.892 ( -3.095 -2.227 1.056) 3.956 4.075 ( -5.432 4.620 1.319) 7.252 4.208 ( -4.992 -6.768 -0.078) 8.410 4.723 ( 0.912 3.021 -0.492) 3.194 4.795 ( 1.353 -3.759 -0.010) 3.995 6.454 ( -1.945 4.775 8.710) 10.122 6.559 ( -1.356 -5.317 6.226) 8.299 6.720 ( -2.225 1.963 1.067) 3.153 6.747 ( -3.403 -0.798 -1.428) 3.776 7.039 ( -0.625 4.304 5.185) 6.767 7.078 ( 1.288 2.127 3.463) 4.263 7.227 ( 2.561 2.923 3.081) 4.959 7.333 ( 1.636 -5.605 -2.234) 6.252 7.605 ( 3.284 4.051 1.258) 5.365 7.682 ( 5.093 -2.510 1.454) 5.861 7.869 ( 1.604 6.698 6.160) 9.240 7.995 ( -0.065 -5.092 4.367) 6.709 8.400 ( 3.189 1.905 -3.486) 5.094 8.402 ( 1.646 1.266 -0.962) 2.288 8.500 ( -1.608 0.980 -1.709) 2.543 8.535 ( -1.799 -1.762 -4.180) 4.879 8.857 ( 3.702 1.971 1.254) 4.378 8.955 ( 1.706 -6.563 -2.921) 7.383 8.983 ( -2.785 2.541 -6.813) 7.787 9.043 ( -2.022 -3.084 -2.763) 4.608 9.255 ( -1.282 2.994 -0.558) 3.305 9.328 ( -1.346 -3.777 -1.401) 4.247 9.657 ( 2.404 3.316 -1.411) 4.332 9.729 ( 2.748 -3.560 -1.947) 4.900 ======================= Grid point 150 (84/136) ======================= q-point: (-0.12 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.669 15.246 6.535) 16.601 1.771 ( -2.206 12.312 6.296) 14.003 1.990 ( 0.058 -8.472 6.738) 10.825 2.100 ( 0.919 -11.994 3.003) 12.398 2.179 ( 1.830 5.373 -2.722) 6.295 2.296 ( 1.240 -4.758 -1.079) 5.034 2.385 ( 1.545 0.625 -2.974) 3.409 2.397 ( 0.924 -0.809 -3.878) 4.067 2.750 ( 0.492 1.399 -3.320) 3.636 2.761 ( -0.128 0.355 -2.376) 2.406 2.785 ( -0.146 1.814 -3.734) 4.154 2.855 ( 0.050 -3.949 -3.384) 5.201 3.070 ( 3.933 5.804 0.604) 7.037 3.147 ( 3.421 -2.359 -1.384) 4.380 3.350 ( -5.326 13.057 3.476) 14.524 3.402 ( 7.104 4.429 3.526) 9.084 3.487 ( 1.446 -3.639 0.597) 3.961 3.602 ( -0.320 -6.646 0.348) 6.663 3.756 ( -2.552 2.441 1.230) 3.739 3.828 ( -3.575 -4.235 1.391) 5.714 3.961 ( -6.318 3.346 2.298) 7.510 4.086 ( -6.374 -9.063 1.346) 11.162 4.742 ( 0.903 3.438 0.199) 3.560 4.813 ( 0.613 -3.541 -0.054) 3.594 6.434 ( -2.030 4.941 7.722) 9.390 6.544 ( -1.322 -5.823 5.785) 8.313 6.691 ( -0.942 0.833 0.313) 1.296 6.715 ( 0.104 -0.994 0.990) 1.406 7.042 ( 0.499 6.028 7.106) 9.332 7.127 ( 2.347 -0.913 5.535) 6.081 7.290 ( 2.595 3.282 2.933) 5.110 7.359 ( 0.980 -2.730 1.467) 3.250 7.665 ( 1.865 4.872 -0.146) 5.219 7.767 ( 2.586 -3.704 -0.290) 4.526 7.907 ( 0.414 4.062 4.299) 5.929 7.985 ( -1.962 -3.548 4.875) 6.340 8.397 ( -0.800 4.127 -5.767) 7.136 8.438 ( 1.184 0.369 -4.247) 4.424 8.455 ( -2.463 1.591 -4.414) 5.299 8.508 ( -0.249 -3.432 -5.982) 6.902 8.865 ( -1.901 0.157 -2.526) 3.165 8.913 ( -1.033 -3.659 -5.307) 6.529 8.981 ( 2.691 3.345 -2.294) 4.868 9.078 ( 2.655 -5.842 -0.146) 6.419 9.254 ( 1.351 2.513 1.212) 3.100 9.310 ( -0.026 -2.699 0.833) 2.825 9.682 ( 0.465 3.895 -1.887) 4.353 9.758 ( 0.531 -3.293 -2.163) 3.975 ======================= Grid point 175 (85/136) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 5.042 0.000 20.066) 20.690 1.433 ( -1.226 0.000 20.564) 20.601 1.939 ( -4.167 0.000 -11.436) 12.171 2.037 ( -0.025 0.000 -9.850) 9.850 2.206 ( -6.917 0.000 13.576) 15.236 2.403 ( 1.991 0.000 -0.496) 2.052 2.458 ( -0.516 0.000 0.579) 0.776 2.505 ( -0.070 0.000 13.931) 13.931 2.595 ( 6.257 0.000 2.049) 6.584 2.616 ( -0.874 0.000 -3.844) 3.942 2.813 ( 1.064 0.000 -0.069) 1.066 3.017 ( 1.273 0.000 0.276) 1.303 3.089 ( 0.467 0.000 2.667) 2.707 3.141 ( -2.146 0.000 2.367) 3.195 3.248 ( 3.878 0.000 -1.530) 4.169 3.435 ( -0.623 0.000 -9.577) 9.597 3.512 ( 0.200 0.000 0.869) 0.892 3.558 ( -1.700 0.000 -1.558) 2.306 3.764 ( 0.133 0.000 2.363) 2.367 3.815 ( 1.724 0.000 -1.892) 2.560 3.963 ( -2.400 0.000 3.632) 4.353 4.331 ( -1.901 0.000 -11.146) 11.307 4.679 ( 6.213 0.000 1.431) 6.376 4.812 ( -3.972 0.000 -4.584) 6.066 6.211 ( -1.545 0.000 3.430) 3.762 6.358 ( 0.716 0.000 -3.819) 3.885 6.753 ( 2.609 0.000 1.909) 3.233 6.885 ( -0.139 0.000 -5.019) 5.021 7.115 ( -0.267 0.000 9.938) 9.941 7.237 ( 5.841 0.000 11.814) 13.179 7.396 ( 2.382 0.000 9.685) 9.973 7.400 ( -4.515 0.000 -7.250) 8.541 7.538 ( 1.420 0.000 -3.815) 4.071 7.717 ( -6.506 0.000 -6.579) 9.252 7.736 ( 0.593 0.000 13.087) 13.100 8.016 ( 4.924 0.000 0.371) 4.938 8.067 ( -4.428 0.000 -0.906) 4.520 8.310 ( -0.701 0.000 6.808) 6.844 8.347 ( -4.413 0.000 -15.444) 16.063 8.699 ( 2.311 0.000 -10.328) 10.584 8.774 ( -1.616 0.000 8.063) 8.223 9.033 ( 2.366 0.000 -3.721) 4.410 9.212 ( 1.412 0.000 2.363) 2.752 9.230 ( 4.029 0.000 2.506) 4.744 9.309 ( -2.226 0.000 -1.728) 2.818 9.343 ( -2.475 0.000 -3.692) 4.445 9.573 ( 4.827 0.000 4.197) 6.397 9.730 ( -4.483 0.000 -3.455) 5.660 ======================= Grid point 176 (86/136) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.517 0.000 17.620) 17.628 1.525 ( 4.934 0.000 15.933) 16.680 1.809 ( -4.572 0.000 -9.306) 10.368 2.038 ( 2.156 0.000 -8.922) 9.178 2.190 ( 1.856 0.000 7.199) 7.434 2.430 ( 0.508 0.000 2.197) 2.255 2.451 ( 0.072 0.000 -1.532) 1.534 2.528 ( -0.992 0.000 -0.122) 0.999 2.629 ( 3.584 0.000 8.671) 9.382 2.715 ( 4.244 0.000 3.102) 5.257 2.836 ( 1.068 0.000 -0.722) 1.289 2.985 ( -4.823 0.000 1.691) 5.111 3.110 ( 1.345 0.000 3.935) 4.159 3.142 ( 1.253 0.000 2.201) 2.533 3.344 ( 5.730 0.000 -1.776) 5.999 3.360 ( -4.385 0.000 -5.847) 7.308 3.523 ( 0.660 0.000 0.205) 0.691 3.525 ( -1.606 0.000 -2.128) 2.666 3.784 ( 2.540 0.000 -4.890) 5.510 3.805 ( -2.264 0.000 -0.035) 2.264 3.920 ( -3.223 0.000 5.550) 6.418 4.225 ( -5.894 0.000 -9.302) 11.012 4.733 ( -2.224 0.000 -4.978) 5.453 4.797 ( 4.770 0.000 1.094) 4.894 6.216 ( 1.153 0.000 3.871) 4.039 6.385 ( 2.750 0.000 -3.289) 4.287 6.788 ( 0.309 0.000 0.969) 1.017 6.870 ( 0.031 0.000 -5.866) 5.866 7.087 ( -5.341 0.000 12.522) 13.614 7.266 ( -5.851 0.000 -5.521) 8.044 7.363 ( 4.349 0.000 8.055) 9.154 7.473 ( 2.155 0.000 11.289) 11.493 7.520 ( -4.941 0.000 -7.770) 9.208 7.579 ( -2.285 0.000 -2.853) 3.655 7.775 ( -0.238 0.000 12.933) 12.936 7.958 ( -5.594 0.000 1.209) 5.723 8.118 ( 0.202 0.000 -1.785) 1.797 8.209 ( -0.853 0.000 -12.107) 12.137 8.363 ( 3.778 0.000 6.267) 7.318 8.717 ( 2.322 0.000 -11.637) 11.866 8.789 ( 0.928 0.000 7.948) 8.002 9.095 ( 4.081 0.000 -4.451) 6.039 9.198 ( -3.222 0.000 -0.088) 3.223 9.268 ( -3.083 0.000 -1.995) 3.672 9.309 ( 2.271 0.000 0.403) 2.307 9.318 ( 2.904 0.000 0.361) 2.926 9.619 ( -4.941 0.000 -4.735) 6.844 9.660 ( 2.620 0.000 3.999) 4.781 ======================= Grid point 177 (87/136) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 4.485 0.000 10.710) 11.611 1.622 ( 1.517 0.000 -3.719) 4.017 1.802 ( 5.304 0.000 8.421) 9.953 2.064 ( 1.806 0.000 -6.939) 7.171 2.246 ( 1.592 0.000 3.766) 4.089 2.430 ( -1.161 0.000 3.497) 3.685 2.461 ( 1.185 0.000 -1.414) 1.845 2.489 ( -1.470 0.000 -3.745) 4.023 2.720 ( -6.170 0.000 0.711) 6.211 2.790 ( 9.336 0.000 4.085) 10.191 2.845 ( 0.098 0.000 2.712) 2.714 2.892 ( -2.663 0.000 4.763) 5.457 3.164 ( 2.497 0.000 4.818) 5.427 3.169 ( -0.094 0.000 3.799) 3.800 3.280 ( -1.459 0.000 -2.267) 2.695 3.446 ( 0.865 0.000 -3.586) 3.688 3.479 ( 1.494 0.000 -3.480) 3.787 3.516 ( -1.741 0.000 2.953) 3.428 3.736 ( -4.627 0.000 2.527) 5.272 3.817 ( -1.922 0.000 3.136) 3.678 3.891 ( 3.555 0.000 -10.179) 10.782 4.063 ( -7.786 0.000 -6.683) 10.260 4.712 ( 1.311 0.000 -3.739) 3.962 4.866 ( 1.690 0.000 1.258) 2.107 6.272 ( 3.233 0.000 4.334) 5.407 6.444 ( 3.564 0.000 -1.914) 4.046 6.764 ( -2.970 0.000 1.551) 3.351 6.859 ( 0.453 0.000 -6.706) 6.721 7.000 ( -5.603 0.000 13.444) 14.565 7.173 ( -2.146 0.000 -2.302) 3.147 7.378 ( -5.618 0.000 -3.959) 6.873 7.414 ( -0.940 0.000 2.630) 2.793 7.546 ( 1.551 0.000 14.001) 14.086 7.564 ( 0.467 0.000 -6.676) 6.692 7.794 ( -0.208 0.000 8.845) 8.847 7.861 ( -4.813 0.000 4.377) 6.506 7.965 ( -7.860 0.000 -9.311) 12.185 8.302 ( 6.054 0.000 -4.171) 7.352 8.466 ( 4.551 0.000 5.200) 6.910 8.741 ( 2.922 0.000 -10.321) 10.727 8.833 ( 0.909 0.000 8.409) 8.458 9.119 ( -3.438 0.000 -1.759) 3.862 9.157 ( 2.482 0.000 -4.466) 5.109 9.176 ( -5.373 0.000 -1.027) 5.470 9.358 ( 2.013 0.000 0.296) 2.035 9.373 ( 1.806 0.000 1.651) 2.447 9.540 ( -0.644 0.000 -7.215) 7.244 9.695 ( 0.078 0.000 2.772) 2.773 ======================= Grid point 178 (88/136) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 2.269 0.000 -3.734) 4.369 1.659 ( 9.252 0.000 3.337) 9.836 1.945 ( 4.205 0.000 9.590) 10.471 2.044 ( -2.528 0.000 -3.297) 4.155 2.287 ( 2.235 0.000 3.707) 4.329 2.395 ( -3.810 0.000 3.956) 5.493 2.467 ( 0.341 0.000 -4.945) 4.956 2.467 ( -1.686 0.000 -2.100) 2.693 2.591 ( -1.511 0.000 2.589) 2.998 2.831 ( -0.034 0.000 -2.549) 2.549 2.861 ( -2.604 0.000 2.323) 3.489 3.014 ( 9.344 0.000 5.199) 10.693 3.158 ( -2.285 0.000 6.680) 7.060 3.189 ( -2.032 0.000 -0.420) 2.075 3.287 ( 1.683 0.000 1.046) 1.982 3.360 ( -3.638 0.000 -4.178) 5.540 3.485 ( -1.828 0.000 3.849) 4.261 3.573 ( 4.617 0.000 -3.411) 5.740 3.639 ( -5.733 0.000 6.568) 8.718 3.757 ( -3.173 0.000 3.977) 5.087 3.911 ( -4.933 0.000 -4.201) 6.479 3.967 ( 5.408 0.000 -14.878) 15.831 4.763 ( 4.170 0.000 -1.926) 4.593 4.872 ( -1.226 0.000 0.881) 1.509 6.356 ( 3.573 0.000 4.688) 5.894 6.508 ( 2.594 0.000 1.282) 2.893 6.689 ( -4.360 0.000 1.057) 4.486 6.852 ( 0.430 0.000 -7.089) 7.102 6.941 ( -3.800 0.000 13.385) 13.914 7.170 ( 1.954 0.000 -0.304) 1.977 7.306 ( -0.560 0.000 0.282) 0.627 7.362 ( -4.071 0.000 1.544) 4.354 7.550 ( -0.176 0.000 -11.468) 11.470 7.579 ( -0.622 0.000 8.101) 8.125 7.725 ( -8.276 0.000 8.607) 11.940 7.825 ( -3.453 0.000 -4.407) 5.599 7.869 ( 3.269 0.000 4.293) 5.396 8.383 ( 3.386 0.000 -7.822) 8.524 8.557 ( 3.054 0.000 4.939) 5.807 8.779 ( 2.616 0.000 -7.540) 7.980 8.854 ( -1.074 0.000 9.070) 9.134 9.060 ( -1.552 0.000 -1.070) 1.885 9.064 ( -5.215 0.000 1.157) 5.342 9.179 ( 0.889 0.000 -5.519) 5.590 9.382 ( 0.441 0.000 -0.686) 0.816 9.398 ( 0.927 0.000 0.349) 0.991 9.565 ( 4.163 0.000 -6.117) 7.399 9.678 ( -2.128 0.000 1.172) 2.429 ======================= Grid point 179 (89/136) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.058 0.000 1.709) 1.710 1.728 ( -6.408 0.000 -0.643) 6.440 1.971 ( -2.940 0.000 5.007) 5.807 2.054 ( 6.243 0.000 1.712) 6.473 2.334 ( -0.983 0.000 2.062) 2.284 2.363 ( 4.729 0.000 1.438) 4.943 2.427 ( -1.066 0.000 -2.363) 2.593 2.475 ( 1.702 0.000 -4.946) 5.231 2.646 ( 1.303 0.000 5.497) 5.649 2.829 ( 0.868 0.000 3.866) 3.962 2.830 ( 0.258 0.000 0.239) 0.352 3.006 ( -8.825 0.000 -5.863) 10.595 3.103 ( -3.740 0.000 5.248) 6.444 3.233 ( 5.069 0.000 0.116) 5.070 3.273 ( -5.374 0.000 1.347) 5.540 3.342 ( 2.442 0.000 4.087) 4.761 3.464 ( -1.183 0.000 2.100) 2.410 3.535 ( -4.119 0.000 8.411) 9.365 3.659 ( 3.448 0.000 -4.181) 5.419 3.731 ( -0.208 0.000 1.490) 1.505 3.877 ( 2.829 0.000 -4.459) 5.281 4.017 ( 2.981 0.000 -12.576) 12.924 4.824 ( -3.549 0.000 -0.311) 3.563 4.851 ( 4.566 0.000 -1.001) 4.674 6.420 ( 1.154 0.000 4.724) 4.863 6.538 ( -1.463 0.000 8.835) 8.955 6.617 ( -1.733 0.000 -4.885) 5.183 6.840 ( 0.314 0.000 -6.648) 6.656 6.910 ( -2.571 0.000 13.543) 13.784 7.237 ( 4.678 0.000 -0.927) 4.769 7.284 ( -3.479 0.000 1.595) 3.828 7.368 ( 5.885 0.000 3.695) 6.949 7.491 ( -2.156 0.000 -11.945) 12.138 7.525 ( -8.731 0.000 -2.474) 9.075 7.608 ( -2.222 0.000 14.148) 14.322 7.825 ( 3.670 0.000 -1.746) 4.064 7.945 ( 3.019 0.000 3.806) 4.858 8.403 ( 1.150 0.000 -10.576) 10.638 8.603 ( -0.054 0.000 4.830) 4.831 8.794 ( 0.522 0.000 -6.053) 6.075 8.843 ( -2.015 0.000 9.825) 10.030 8.992 ( -2.028 0.000 2.188) 2.984 9.062 ( 1.919 0.000 -1.184) 2.255 9.169 ( -0.453 0.000 -4.851) 4.872 9.374 ( -0.807 0.000 -1.807) 1.979 9.421 ( 1.278 0.000 -0.607) 1.415 9.619 ( -3.850 0.000 -0.235) 3.857 9.650 ( 5.216 0.000 -4.209) 6.703 ======================= Grid point 180 (90/136) ======================= q-point: (-0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -14.207 0.000 2.672) 14.456 1.657 ( -1.628 0.000 3.761) 4.098 1.904 ( -3.737 0.000 2.542) 4.520 2.172 ( 2.750 0.000 2.279) 3.572 2.359 ( 1.991 0.000 0.953) 2.207 2.409 ( -0.079 0.000 -2.345) 2.347 2.429 ( 0.437 0.000 -4.821) 4.841 2.559 ( 8.016 0.000 -0.540) 8.034 2.604 ( -4.934 0.000 4.958) 6.995 2.807 ( -6.068 0.000 -2.419) 6.532 2.849 ( -1.443 0.000 0.879) 1.689 2.900 ( 1.281 0.000 7.576) 7.683 3.074 ( -11.763 0.000 10.121) 15.518 3.116 ( 5.852 0.000 2.309) 6.291 3.313 ( -0.094 0.000 -2.738) 2.740 3.364 ( -2.152 0.000 5.837) 6.221 3.458 ( 0.874 0.000 -1.868) 2.062 3.533 ( 2.745 0.000 3.760) 4.655 3.695 ( 1.221 0.000 -6.266) 6.384 3.744 ( 0.931 0.000 0.813) 1.236 3.990 ( 8.948 0.000 -5.896) 10.716 4.029 ( 1.129 0.000 -9.041) 9.111 4.734 ( -4.992 0.000 -1.549) 5.227 4.924 ( 2.595 0.000 -1.164) 2.844 6.412 ( -2.918 0.000 3.983) 4.938 6.497 ( -3.641 0.000 5.440) 6.546 6.595 ( -0.307 0.000 -0.074) 0.316 6.847 ( 2.005 0.000 -5.136) 5.513 6.912 ( -0.352 0.000 12.584) 12.589 7.247 ( -0.689 0.000 2.571) 2.662 7.324 ( -9.793 0.000 2.019) 9.999 7.331 ( 4.158 0.000 -3.986) 5.760 7.441 ( 0.883 0.000 -6.285) 6.347 7.535 ( 8.911 0.000 2.344) 9.214 7.626 ( 0.280 0.000 9.577) 9.582 7.921 ( 5.253 0.000 -1.640) 5.503 8.009 ( 2.634 0.000 3.032) 4.016 8.392 ( 0.960 0.000 -11.896) 11.934 8.571 ( -4.144 0.000 4.920) 6.433 8.772 ( -1.181 0.000 -6.514) 6.620 8.833 ( -1.414 0.000 10.075) 10.174 8.995 ( 1.550 0.000 2.321) 2.791 9.112 ( 2.831 0.000 -1.313) 3.120 9.142 ( -1.124 0.000 -3.515) 3.690 9.351 ( -0.603 0.000 -1.938) 2.029 9.439 ( 0.599 0.000 -1.171) 1.315 9.530 ( -4.604 0.000 -1.111) 4.736 9.739 ( 4.360 0.000 -3.444) 5.556 ======================= Grid point 181 (91/136) ======================= q-point: (-0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -10.372 0.000 9.988) 14.399 1.601 ( -6.810 0.000 11.746) 13.577 1.891 ( 3.902 0.000 -5.326) 6.603 2.168 ( -2.625 0.000 -2.366) 3.534 2.374 ( -0.430 0.000 -1.328) 1.396 2.399 ( -1.498 0.000 -2.723) 3.107 2.431 ( 2.405 0.000 -0.383) 2.436 2.522 ( -3.985 0.000 4.498) 6.009 2.662 ( 0.315 0.000 -4.771) 4.782 2.729 ( -9.360 0.000 16.829) 19.257 2.760 ( -2.495 0.000 7.836) 8.223 2.925 ( 0.968 0.000 4.039) 4.153 2.977 ( 2.105 0.000 0.310) 2.128 3.265 ( -2.882 0.000 -2.298) 3.685 3.288 ( 5.311 0.000 5.304) 7.506 3.303 ( -1.341 0.000 2.311) 2.672 3.472 ( 0.973 0.000 -4.021) 4.138 3.629 ( 5.323 0.000 -2.489) 5.877 3.678 ( -0.855 0.000 -5.376) 5.443 3.761 ( 0.220 0.000 1.663) 1.678 4.022 ( -0.125 0.000 -5.022) 5.023 4.173 ( 10.285 0.000 -7.744) 12.874 4.633 ( -4.202 0.000 -1.321) 4.404 4.941 ( -0.492 0.000 -2.036) 2.095 6.339 ( -4.700 0.000 3.254) 5.716 6.433 ( -3.092 0.000 -1.305) 3.356 6.611 ( 1.452 0.000 6.309) 6.474 6.881 ( 1.992 0.000 -4.185) 4.634 6.962 ( 2.459 0.000 12.070) 12.318 7.163 ( -6.060 0.000 3.772) 7.138 7.275 ( 1.586 0.000 6.265) 6.463 7.370 ( 2.472 0.000 -5.841) 6.342 7.497 ( 4.133 0.000 -4.034) 5.776 7.659 ( 0.584 0.000 9.634) 9.652 7.709 ( 7.296 0.000 0.280) 7.302 7.988 ( 1.340 0.000 -2.923) 3.215 8.067 ( 2.345 0.000 2.351) 3.321 8.399 ( 2.826 0.000 -12.741) 13.051 8.476 ( -6.116 0.000 4.624) 7.667 8.721 ( -1.750 0.000 -7.252) 7.460 8.828 ( -1.685 0.000 9.180) 9.333 9.054 ( 3.441 0.000 2.760) 4.411 9.097 ( -2.434 0.000 -3.517) 4.277 9.157 ( 1.490 0.000 -0.599) 1.606 9.362 ( 2.321 0.000 0.400) 2.355 9.433 ( -0.862 0.000 -1.974) 2.154 9.442 ( -3.525 0.000 -1.474) 3.821 9.798 ( 2.092 0.000 -3.367) 3.964 ======================= Grid point 182 (92/136) ======================= q-point: (-0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 1.032 0.000 18.013) 18.042 1.478 ( -7.621 0.000 18.642) 20.140 1.976 ( 3.860 0.000 -10.548) 11.232 2.090 ( -2.929 0.000 -7.472) 8.025 2.344 ( -5.882 0.000 3.727) 6.963 2.368 ( 0.913 0.000 -1.474) 1.734 2.474 ( -1.569 0.000 1.939) 2.494 2.489 ( 3.508 0.000 1.453) 3.797 2.529 ( -9.365 0.000 26.271) 27.891 2.642 ( -0.516 0.000 -5.810) 5.833 2.793 ( 1.136 0.000 0.387) 1.200 2.969 ( 2.539 0.000 1.516) 2.957 3.050 ( 3.164 0.000 2.365) 3.951 3.207 ( -4.789 0.000 3.345) 5.842 3.218 ( -0.589 0.000 -2.271) 2.346 3.433 ( 3.593 0.000 -2.523) 4.390 3.484 ( 1.924 0.000 -2.809) 3.405 3.610 ( -2.638 0.000 -4.206) 4.965 3.749 ( 5.119 0.000 -2.575) 5.730 3.762 ( -0.585 0.000 3.624) 3.671 3.999 ( -1.418 0.000 -0.759) 1.608 4.326 ( 5.997 0.000 -11.079) 12.598 4.589 ( 0.888 0.000 1.318) 1.589 4.897 ( -3.141 0.000 -3.302) 4.557 6.258 ( -3.841 0.000 3.155) 4.970 6.377 ( -1.606 0.000 -3.562) 3.908 6.680 ( 3.509 0.000 4.963) 6.078 6.895 ( 0.491 0.000 -4.415) 4.442 7.074 ( 5.231 0.000 10.396) 11.638 7.104 ( -0.896 0.000 9.862) 9.903 7.333 ( 2.066 0.000 8.250) 8.505 7.421 ( 3.179 0.000 -5.114) 6.022 7.537 ( 0.637 0.000 -4.879) 4.920 7.695 ( 0.482 0.000 10.986) 10.996 7.796 ( 0.958 0.000 -3.581) 3.707 7.974 ( -0.436 0.000 -3.133) 3.164 8.105 ( 0.503 0.000 1.339) 1.430 8.365 ( -5.548 0.000 4.486) 7.135 8.416 ( 1.197 0.000 -14.089) 14.140 8.687 ( 0.629 0.000 -8.170) 8.195 8.804 ( -2.800 0.000 8.269) 8.730 9.038 ( -1.811 0.000 -3.769) 4.181 9.139 ( 4.163 0.000 3.013) 5.138 9.179 ( 1.066 0.000 1.202) 1.607 9.366 ( -2.661 0.000 -1.340) 2.979 9.397 ( -2.021 0.000 -2.828) 3.476 9.459 ( 5.114 0.000 2.728) 5.796 9.798 ( -1.329 0.000 -3.390) 3.641 ======================= Grid point 183 (93/136) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 4.422 7.917 16.726) 19.026 1.512 ( -1.539 7.061 18.981) 20.310 1.925 ( -2.568 0.420 -9.757) 10.098 2.117 ( -0.951 5.781 -10.192) 11.756 2.275 ( -3.553 4.541 5.276) 7.815 2.388 ( 2.141 -1.593 -1.647) 3.136 2.429 ( -0.466 -2.390 4.544) 5.155 2.523 ( -0.704 0.859 7.924) 8.002 2.561 ( 2.242 -1.219 6.607) 7.083 2.636 ( 0.131 1.339 -2.591) 2.920 2.792 ( 1.023 -1.713 0.110) 1.999 2.955 ( -0.043 -4.754 -0.308) 4.764 3.050 ( 2.026 -1.542 3.937) 4.688 3.169 ( -1.346 0.550 1.959) 2.440 3.249 ( 1.901 -0.285 -1.321) 2.333 3.438 ( -0.302 0.353 -8.311) 8.324 3.514 ( 1.165 0.275 1.275) 1.748 3.577 ( -1.407 1.550 -1.938) 2.853 3.767 ( 3.458 0.436 1.964) 4.001 3.817 ( -2.666 0.069 -1.810) 3.223 3.950 ( -2.126 -1.201 4.401) 5.033 4.291 ( -1.163 -3.834 -9.624) 10.425 4.690 ( 4.882 1.188 1.715) 5.309 4.818 ( -3.162 0.469 -4.294) 5.353 6.277 ( -2.133 5.558 3.778) 7.051 6.432 ( 0.910 6.301 -4.019) 7.529 6.784 ( 2.003 2.336 2.187) 3.775 6.873 ( -1.377 -2.004 -0.673) 2.523 7.122 ( 2.587 1.028 8.352) 8.804 7.253 ( 8.801 1.094 7.579) 11.666 7.360 ( -2.215 -0.001 0.313) 2.237 7.431 ( -0.444 0.265 -1.035) 1.157 7.519 ( -2.125 -0.218 3.441) 4.050 7.730 ( -4.665 1.144 -4.526) 6.600 7.782 ( -0.855 3.467 7.798) 8.576 8.030 ( 4.007 1.168 0.928) 4.276 8.088 ( -4.159 1.890 -2.184) 5.063 8.276 ( -2.248 -1.870 -1.905) 3.490 8.368 ( -2.373 0.806 -6.265) 6.747 8.671 ( 1.186 -3.815 -0.027) 3.995 8.747 ( -0.683 -0.926 -3.013) 3.225 8.981 ( 2.066 -4.379 -3.731) 6.113 9.136 ( 2.436 -5.110 1.627) 5.890 9.235 ( -1.257 -2.289 -0.733) 2.713 9.310 ( 2.485 1.260 0.490) 2.829 9.385 ( -1.843 2.964 -1.632) 3.853 9.568 ( 3.718 -0.341 3.942) 5.429 9.730 ( -3.851 -0.082 -3.677) 5.326 ======================= Grid point 184 (94/136) ======================= q-point: ( 0.12 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.185 7.103 14.717) 16.343 1.580 ( 3.945 5.132 15.391) 16.697 1.835 ( -3.318 2.753 -9.096) 10.066 2.088 ( 0.802 4.390 -8.504) 9.604 2.260 ( 0.763 5.118 3.605) 6.306 2.415 ( -0.084 -3.166 -0.547) 3.214 2.419 ( 0.230 -0.973 2.254) 2.466 2.520 ( -1.045 -0.531 -0.473) 1.264 2.637 ( 3.159 -1.772 4.966) 6.146 2.687 ( 4.160 -0.623 1.830) 4.587 2.798 ( 0.010 -3.093 1.924) 3.643 2.956 ( -0.839 -2.225 1.464) 2.792 3.101 ( 1.572 -1.069 5.099) 5.442 3.140 ( -1.408 0.122 1.618) 2.148 3.264 ( -1.111 -4.198 -3.004) 5.280 3.422 ( 1.159 2.916 -2.301) 3.892 3.525 ( -0.996 0.443 0.972) 1.461 3.552 ( -0.027 1.619 -3.081) 3.480 3.743 ( -0.971 -1.897 -4.504) 4.983 3.850 ( 2.386 2.614 0.073) 3.540 3.914 ( -2.558 -0.326 5.747) 6.299 4.214 ( -4.158 -1.227 -8.190) 9.267 4.745 ( -1.887 0.853 -3.909) 4.424 4.793 ( 3.808 -0.110 0.781) 3.889 6.269 ( 0.342 4.579 4.370) 6.339 6.462 ( 2.774 6.601 -3.235) 7.857 6.800 ( -1.343 0.021 1.318) 1.882 6.848 ( -0.455 -1.301 0.024) 1.379 7.157 ( -2.688 5.531 6.439) 8.904 7.259 ( -4.877 -0.619 -4.827) 6.890 7.354 ( 0.528 0.768 0.858) 1.267 7.479 ( 3.590 0.189 7.466) 8.287 7.513 ( 0.569 -1.186 2.379) 2.719 7.615 ( -4.527 3.951 -1.164) 6.120 7.785 ( -1.494 1.031 10.572) 10.727 7.964 ( -6.434 0.502 0.171) 6.456 8.134 ( 1.094 1.363 -0.970) 1.998 8.188 ( -0.778 -1.723 -9.876) 10.055 8.380 ( 3.474 1.291 4.254) 5.642 8.710 ( 2.480 -3.367 -0.481) 4.209 8.736 ( 0.497 -1.971 -3.885) 4.385 9.033 ( 3.348 -4.898 -3.286) 6.782 9.159 ( -1.725 -3.548 -0.864) 4.039 9.211 ( 0.233 -4.500 -0.310) 4.517 9.319 ( -1.617 2.424 -2.942) 4.141 9.388 ( 2.668 3.352 1.340) 4.489 9.623 ( -3.272 0.077 -2.412) 4.066 9.648 ( 0.719 -0.950 1.918) 2.258 ======================= Grid point 185 (95/136) ======================= q-point: ( 0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 2.736 4.651 8.295) 9.895 1.694 ( 2.916 6.183 0.320) 6.844 1.806 ( 3.315 1.236 5.031) 6.150 2.093 ( 0.766 2.428 -6.723) 7.189 2.286 ( 0.494 3.100 3.254) 4.521 2.400 ( -1.205 -2.541 3.130) 4.208 2.439 ( 0.878 -1.877 -0.660) 2.175 2.490 ( -0.708 -0.103 -3.684) 3.753 2.648 ( -5.241 -4.840 1.891) 7.381 2.775 ( 6.303 -2.502 -4.727) 8.267 2.832 ( 0.267 -3.971 5.209) 6.556 2.931 ( -0.358 4.757 5.242) 7.088 3.072 ( -4.109 -7.862 2.327) 9.171 3.166 ( 1.543 -0.664 2.565) 3.066 3.236 ( 0.587 -1.199 0.703) 1.509 3.473 ( -2.921 -0.197 1.186) 3.159 3.484 ( 4.396 1.525 -0.693) 4.704 3.550 ( -0.524 2.575 -2.134) 3.385 3.725 ( -1.129 -0.165 0.633) 1.305 3.867 ( -3.429 3.711 7.008) 8.639 3.908 ( 4.407 1.886 -9.566) 10.700 4.094 ( -5.535 2.554 -6.511) 8.919 4.719 ( 0.604 0.587 -3.274) 3.381 4.853 ( 1.517 -1.166 1.267) 2.294 6.311 ( 2.532 3.457 5.058) 6.629 6.518 ( 3.109 6.422 -1.786) 7.355 6.750 ( -3.386 -2.034 2.204) 4.523 6.847 ( 0.020 0.498 -1.060) 1.171 7.069 ( -5.371 4.400 4.258) 8.145 7.183 ( -2.352 1.149 -1.109) 2.842 7.320 ( -2.192 -1.632 -3.740) 4.632 7.522 ( -2.894 4.112 3.024) 5.868 7.542 ( 0.768 1.380 3.195) 3.564 7.584 ( 2.056 2.685 3.872) 5.141 7.782 ( -1.127 -0.733 9.180) 9.278 7.833 ( -6.548 -1.797 1.587) 6.973 8.014 ( -5.312 3.934 -6.505) 9.274 8.296 ( 6.669 -0.790 -2.198) 7.066 8.475 ( 4.254 0.716 4.069) 5.930 8.736 ( 2.206 -0.428 -10.710) 10.943 8.766 ( 0.867 -5.712 7.858) 9.754 9.075 ( 1.090 -5.705 -4.012) 7.059 9.099 ( -3.744 -2.536 0.562) 4.557 9.179 ( -2.219 -0.524 -2.264) 3.213 9.325 ( 2.459 -0.896 -2.764) 3.806 9.436 ( 1.280 3.078 2.325) 4.064 9.540 ( -1.870 0.023 -6.548) 6.810 9.672 ( -0.182 -2.105 2.832) 3.534 ======================= Grid point 186 (96/136) ======================= q-point: ( 0.38 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 5.830 2.493 0.236) 6.345 1.741 ( 4.243 5.973 -0.588) 7.350 1.930 ( 4.364 -1.138 8.699) 9.798 2.057 ( -3.079 0.989 -3.062) 4.453 2.304 ( 0.876 1.453 3.370) 3.773 2.368 ( -3.391 -2.401 4.146) 5.870 2.450 ( 0.465 -0.942 -2.412) 2.631 2.476 ( -1.094 0.159 -4.604) 4.735 2.532 ( -2.817 -4.027 3.198) 5.863 2.804 ( -1.713 -4.572 -1.019) 4.988 2.848 ( 0.120 -1.064 -1.926) 2.204 2.934 ( -2.981 -9.558 2.101) 10.230 3.071 ( 5.556 -1.899 1.783) 6.136 3.171 ( -1.755 -3.154 0.444) 3.636 3.273 ( 1.513 2.062 4.810) 5.448 3.447 ( -0.547 0.151 4.445) 4.481 3.498 ( -2.562 4.990 -2.841) 6.288 3.580 ( 4.072 0.467 -1.858) 4.501 3.719 ( 0.237 5.073 3.490) 6.162 3.795 ( -4.593 4.621 5.482) 8.515 3.934 ( -2.378 2.770 -5.194) 6.349 4.020 ( 2.492 4.104 -10.568) 11.608 4.755 ( 3.384 -0.755 -1.599) 3.818 4.858 ( -1.179 -1.359 0.753) 1.951 6.385 ( 3.216 2.714 5.586) 6.994 6.564 ( 1.159 4.787 2.238) 5.410 6.693 ( -2.227 0.442 0.092) 2.272 6.837 ( -0.703 0.164 -2.388) 2.494 6.994 ( -3.605 3.182 6.833) 8.355 7.163 ( 0.904 -0.598 -0.253) 1.113 7.290 ( -0.154 0.101 -1.210) 1.224 7.450 ( -3.771 4.735 0.829) 6.110 7.523 ( -2.716 -0.927 -4.879) 5.661 7.629 ( 1.455 3.980 0.911) 4.334 7.693 ( -6.954 -1.749 11.205) 13.302 7.803 ( -0.569 -0.555 1.602) 1.789 7.951 ( 0.611 5.975 -0.177) 6.008 8.398 ( 4.202 1.158 -6.268) 7.635 8.558 ( 2.848 0.042 4.133) 5.020 8.764 ( 2.426 -2.954 -5.825) 6.967 8.776 ( -1.510 -4.897 5.972) 7.869 9.008 ( -4.837 -2.253 1.916) 5.669 9.064 ( -0.538 -4.166 -3.484) 5.458 9.162 ( 0.537 0.325 -3.224) 3.284 9.366 ( 1.692 -1.224 -2.035) 2.916 9.436 ( -1.026 2.369 0.475) 2.625 9.546 ( 3.435 -1.748 -5.272) 6.531 9.654 ( -1.944 -2.261 1.097) 3.177 ======================= Grid point 187 (97/136) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.131 3.760 1.909) 4.219 1.768 ( -5.772 3.542 -0.707) 6.808 1.961 ( -3.003 -0.805 4.843) 5.755 2.072 ( 7.525 0.907 0.202) 7.582 2.321 ( -0.829 -1.061 2.450) 2.795 2.351 ( 3.073 -1.208 2.019) 3.870 2.422 ( -0.783 -0.636 -0.719) 1.239 2.472 ( 1.192 -0.297 -5.122) 5.268 2.545 ( 0.097 -7.110 4.916) 8.644 2.782 ( -0.321 -6.603 -2.745) 7.158 2.792 ( -2.723 -4.829 2.259) 5.987 2.886 ( -2.046 -2.889 -0.404) 3.563 3.112 ( -3.377 -1.859 1.098) 4.008 3.182 ( 2.819 -5.619 -1.169) 6.395 3.282 ( -2.910 3.049 6.382) 7.648 3.445 ( 1.832 1.205 0.650) 2.287 3.482 ( 0.230 7.263 0.969) 7.331 3.635 ( 1.469 -0.405 -3.368) 3.696 3.682 ( -4.442 9.267 7.337) 12.627 3.769 ( -0.050 4.156 1.893) 4.567 3.908 ( 3.339 3.345 -4.367) 6.435 4.054 ( 2.356 2.891 -10.075) 10.743 4.810 ( -2.791 -1.410 -0.211) 3.134 4.835 ( 3.607 -1.599 -0.882) 4.043 6.450 ( 1.431 2.760 5.544) 6.357 6.571 ( -1.507 3.068 8.592) 9.247 6.665 ( -0.393 4.144 -5.377) 6.800 6.811 ( -0.924 -1.088 -2.488) 2.869 6.948 ( -2.969 2.149 8.281) 9.056 7.221 ( 3.873 -2.116 1.806) 4.768 7.284 ( -0.733 0.259 -0.932) 1.214 7.404 ( -1.357 -2.582 -7.046) 7.626 7.441 ( -2.019 3.154 1.513) 4.039 7.582 ( -5.225 2.682 2.135) 6.249 7.657 ( -0.039 4.659 8.659) 9.834 7.827 ( 3.852 0.751 -0.654) 3.979 7.998 ( 2.697 4.911 2.189) 6.015 8.429 ( 1.036 2.363 -9.846) 10.179 8.599 ( -0.211 -0.365 4.214) 4.235 8.752 ( -1.644 -6.010 7.312) 9.607 8.798 ( 1.757 -1.710 -5.011) 5.579 8.936 ( -2.352 -3.774 1.870) 4.824 9.063 ( 1.292 -2.063 -1.952) 3.121 9.160 ( -0.132 -0.184 -3.570) 3.577 9.362 ( -1.835 -0.715 -0.244) 1.984 9.434 ( 1.070 0.463 -2.272) 2.554 9.585 ( -1.828 -2.649 -0.086) 3.219 9.641 ( 3.693 -1.266 -3.700) 5.379 ======================= Grid point 188 (98/136) ======================= q-point: (-0.38 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -12.767 4.713 3.202) 13.981 1.714 ( -0.849 5.176 2.791) 5.942 1.903 ( -3.125 0.030 2.865) 4.240 2.187 ( 1.688 1.160 1.045) 2.300 2.346 ( 2.043 -1.350 1.482) 2.862 2.377 ( -0.269 -2.524 -1.168) 2.794 2.424 ( -0.327 -0.754 -4.337) 4.414 2.502 ( -2.919 -7.982 7.473) 11.317 2.557 ( 6.582 -0.612 -2.034) 6.916 2.723 ( -2.437 -6.203 -3.809) 7.676 2.853 ( 4.240 -2.458 1.523) 5.132 2.868 ( 1.308 -0.687 2.757) 3.128 3.076 ( -0.242 -2.872 2.575) 3.865 3.112 ( -8.020 2.190 6.822) 10.754 3.252 ( -1.615 -3.097 0.018) 3.493 3.443 ( -4.280 4.158 4.987) 7.776 3.516 ( 2.313 5.262 -2.385) 6.223 3.612 ( -0.003 3.210 1.166) 3.415 3.676 ( 1.146 1.379 -2.974) 3.473 3.776 ( 0.911 3.335 2.249) 4.124 4.016 ( 5.943 2.817 -6.321) 9.122 4.066 ( 2.460 2.864 -6.967) 7.924 4.728 ( -4.460 -0.558 -1.269) 4.670 4.901 ( 2.494 -2.127 -0.824) 3.380 6.457 ( -2.020 3.859 4.703) 6.410 6.557 ( -1.905 5.455 6.228) 8.495 6.637 ( -0.947 3.881 -2.259) 4.589 6.808 ( 1.460 -2.647 -0.897) 3.153 6.920 ( -1.544 0.274 7.160) 7.330 7.232 ( -5.761 -4.913 1.355) 7.692 7.262 ( 0.042 0.863 2.715) 2.849 7.374 ( 2.297 0.700 -6.603) 7.026 7.479 ( 2.352 1.507 1.069) 2.991 7.556 ( 3.986 4.225 2.067) 6.166 7.687 ( 0.969 4.840 8.573) 9.892 7.929 ( 5.458 1.015 -1.154) 5.670 8.055 ( 2.530 4.304 1.454) 5.200 8.410 ( 0.192 1.720 -11.126) 11.260 8.562 ( -4.189 -0.872 4.326) 6.085 8.741 ( -1.448 -3.835 2.630) 4.870 8.803 ( -0.215 -1.423 -0.546) 1.539 8.938 ( 2.152 -4.715 1.535) 5.405 9.106 ( 3.052 -1.409 -1.169) 3.559 9.133 ( -1.810 -1.079 -3.499) 4.084 9.315 ( -2.224 -2.224 0.132) 3.148 9.438 ( -0.719 -0.985 -2.535) 2.813 9.535 ( -1.831 0.558 -0.426) 1.961 9.723 ( 4.367 -1.603 -3.517) 5.832 ======================= Grid point 189 (99/136) ======================= q-point: (-0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -8.649 7.700 9.528) 14.996 1.670 ( -6.378 6.103 11.255) 14.304 1.900 ( 4.017 1.115 -4.726) 6.302 2.170 ( -1.783 0.129 -4.403) 4.752 2.362 ( -1.105 -2.094 -0.062) 2.368 2.369 ( -0.540 -1.671 2.791) 3.298 2.416 ( 0.939 -1.869 -1.554) 2.606 2.449 ( -2.301 -4.343 3.932) 6.294 2.662 ( 1.050 -0.284 -5.179) 5.292 2.700 ( 2.646 -3.396 -0.222) 4.311 2.835 ( -8.270 6.019 15.418) 18.502 2.937 ( 0.737 -2.788 -0.148) 2.888 3.001 ( -0.619 4.608 4.546) 6.503 3.144 ( 3.151 -7.282 0.036) 7.935 3.232 ( 2.930 -3.390 1.506) 4.727 3.356 ( -4.362 2.433 3.908) 6.342 3.516 ( -0.772 3.285 -3.860) 5.127 3.638 ( 1.087 -2.027 -3.327) 4.045 3.681 ( 0.425 2.551 -3.413) 4.282 3.819 ( 2.166 4.858 3.634) 6.442 4.021 ( -1.050 -0.134 -4.484) 4.607 4.187 ( 7.945 1.350 -7.688) 11.138 4.642 ( -3.382 0.877 -0.591) 3.544 4.921 ( -0.269 -1.931 -1.648) 2.553 6.402 ( -4.042 5.228 3.790) 7.618 6.508 ( -2.982 6.342 -3.151) 7.684 6.652 ( 1.878 3.804 6.490) 7.754 6.864 ( 3.852 -1.350 -1.565) 4.372 6.925 ( 0.477 -2.765 8.800) 9.236 7.117 ( -4.962 -3.210 3.895) 7.078 7.289 ( 1.823 0.933 3.952) 4.451 7.399 ( 1.558 2.177 -2.784) 3.862 7.539 ( 2.966 2.352 -0.797) 3.869 7.674 ( 4.864 2.164 2.617) 5.933 7.743 ( 3.108 3.238 5.433) 7.047 8.001 ( 1.572 1.386 -2.159) 3.009 8.105 ( 2.035 3.615 0.550) 4.185 8.399 ( 1.782 0.155 -12.239) 12.369 8.469 ( -5.804 -0.722 3.973) 7.071 8.700 ( -2.179 -2.464 -2.314) 4.022 8.797 ( -0.926 -2.194 3.245) 4.025 9.009 ( 3.861 -4.000 1.262) 5.701 9.068 ( -3.498 -2.928 -3.339) 5.653 9.161 ( 2.162 0.260 -0.277) 2.195 9.298 ( 0.781 -4.657 0.999) 4.827 9.399 ( -1.823 -1.046 -1.497) 2.581 9.514 ( -0.546 3.351 -1.137) 3.580 9.783 ( 2.262 -1.438 -3.417) 4.343 ======================= Grid point 190 (100/136) ======================= q-point: (-0.12 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 1.232 9.258 15.704) 18.271 1.556 ( -7.023 6.882 17.276) 19.879 1.966 ( 1.658 0.160 -8.256) 8.422 2.139 ( 1.057 3.411 -10.241) 10.846 2.334 ( -2.117 -0.669 1.838) 2.882 2.359 ( -0.280 -1.018 1.512) 1.844 2.419 ( -0.411 -3.666 4.711) 5.983 2.467 ( 2.832 -1.933 0.521) 3.468 2.639 ( -5.525 3.892 5.406) 8.654 2.658 ( -5.927 4.886 7.910) 11.026 2.757 ( 2.170 -2.114 0.529) 3.075 2.962 ( 0.458 -1.321 0.193) 1.411 3.009 ( 0.581 -3.693 2.530) 4.514 3.164 ( 1.020 -0.317 1.093) 1.529 3.256 ( -2.536 0.015 0.606) 2.607 3.415 ( 6.825 -1.382 0.351) 6.972 3.485 ( -0.632 0.224 -4.714) 4.761 3.615 ( -1.681 0.611 -3.227) 3.689 3.700 ( 2.056 -0.653 -1.229) 2.483 3.854 ( -0.102 4.622 2.615) 5.311 3.983 ( -1.889 -1.499 -0.406) 2.445 4.292 ( 3.985 -3.119 -9.896) 11.115 4.616 ( 1.196 2.412 1.471) 3.067 4.886 ( -2.448 -1.012 -2.969) 3.979 6.330 ( -3.820 5.891 3.497) 7.843 6.449 ( -1.555 6.029 -4.379) 7.612 6.722 ( 3.135 3.205 4.732) 6.519 6.894 ( -0.129 -0.093 -2.099) 2.105 7.042 ( 8.023 -3.110 11.160) 14.093 7.075 ( -0.229 -1.274 6.133) 6.268 7.343 ( 1.962 0.743 5.044) 5.463 7.426 ( 1.339 1.327 -1.184) 2.226 7.563 ( -0.894 1.638 -0.651) 1.976 7.743 ( 1.578 3.675 4.059) 5.699 7.803 ( 0.725 1.117 -0.254) 1.355 7.993 ( -0.358 1.766 -2.772) 3.306 8.130 ( 0.089 2.498 0.130) 2.503 8.352 ( -5.073 -0.935 -0.534) 5.186 8.413 ( 0.575 -0.499 -9.034) 9.066 8.665 ( -0.416 -2.630 -2.286) 3.510 8.776 ( -1.717 -1.744 1.547) 2.895 8.990 ( -2.070 -4.294 -4.510) 6.562 9.084 ( 2.549 -4.412 1.971) 5.463 9.205 ( 2.538 1.859 2.522) 4.032 9.309 ( -0.661 -4.730 -2.986) 5.633 9.394 ( 1.043 0.322 2.030) 2.305 9.508 ( 0.842 3.134 0.024) 3.245 9.789 ( -0.916 -0.951 -3.473) 3.715 ======================= Grid point 191 (101/136) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 3.062 11.624 10.739) 16.119 1.697 ( -1.076 10.405 14.379) 17.781 1.976 ( -1.506 4.256 -7.461) 8.720 2.221 ( 0.653 2.505 -9.903) 10.235 2.301 ( -0.520 -2.096 1.403) 2.575 2.333 ( 0.518 -3.998 -0.149) 4.034 2.382 ( 2.228 -1.046 5.827) 6.325 2.470 ( 2.781 -3.478 3.201) 5.485 2.596 ( -4.551 1.858 -1.526) 5.147 2.670 ( -0.015 0.332 -4.409) 4.422 2.750 ( -1.663 -2.274 2.944) 4.074 2.870 ( 0.831 -3.695 -2.123) 4.341 3.079 ( 2.774 5.205 6.811) 9.009 3.162 ( -1.855 -0.330 1.910) 2.683 3.232 ( -0.800 -0.295 -0.196) 0.875 3.453 ( 1.176 0.966 -5.325) 5.538 3.524 ( 2.307 0.712 1.450) 2.816 3.607 ( -1.291 1.006 -1.819) 2.447 3.780 ( 5.628 0.656 1.032) 5.760 3.815 ( -6.441 -0.247 -1.422) 6.600 3.926 ( -1.678 -0.625 6.011) 6.272 4.180 ( -0.331 -6.652 -5.158) 8.424 4.728 ( 2.495 2.311 1.651) 3.781 4.823 ( -1.560 -0.116 -2.923) 3.316 6.405 ( -2.683 6.342 4.713) 8.344 6.566 ( 1.636 5.782 -3.555) 6.982 6.786 ( -3.172 -5.301 4.492) 7.638 6.821 ( 2.444 -0.315 2.480) 3.496 7.150 ( 4.469 1.832 5.481) 7.305 7.268 ( 6.512 0.957 3.181) 7.310 7.384 ( 1.960 0.479 -1.060) 2.280 7.490 ( -1.265 6.546 3.080) 7.344 7.536 ( -4.031 1.430 5.534) 6.995 7.751 ( -2.778 0.607 -2.449) 3.752 7.861 ( -1.914 4.206 3.478) 5.784 8.048 ( 2.033 -0.014 1.498) 2.525 8.133 ( -5.522 2.078 -4.793) 7.601 8.261 ( -1.934 0.775 -5.741) 6.107 8.371 ( -0.823 -0.367 -0.907) 1.279 8.556 ( -1.038 -5.976 5.697) 8.322 8.756 ( 1.293 1.183 -10.448) 10.594 8.884 ( 2.566 -4.268 -5.319) 7.287 9.016 ( 2.004 -6.077 1.421) 6.555 9.148 ( -2.205 -5.687 -3.455) 7.010 9.348 ( 3.521 2.155 3.489) 5.405 9.438 ( 0.568 1.543 1.443) 2.187 9.570 ( 0.825 0.961 1.201) 1.745 9.718 ( -2.811 -1.287 -3.980) 5.040 ======================= Grid point 192 (102/136) ======================= q-point: ( 0.12 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.023 10.808 8.676) 13.897 1.727 ( 0.735 9.124 12.679) 15.638 1.923 ( -1.365 5.316 -8.010) 9.710 2.186 ( -1.268 3.981 -7.027) 8.175 2.307 ( 1.022 -2.857 -0.808) 3.140 2.346 ( 0.334 -2.082 0.792) 2.252 2.400 ( -0.909 -0.601 4.372) 4.506 2.519 ( -1.650 -1.012 -1.452) 2.420 2.544 ( 1.958 -3.321 2.891) 4.819 2.673 ( 0.795 -2.486 -6.257) 6.780 2.737 ( -0.149 -2.578 3.774) 4.573 2.887 ( 1.237 -4.961 -1.322) 5.281 3.108 ( -4.340 -0.182 2.399) 4.962 3.136 ( -0.206 -0.304 1.133) 1.191 3.219 ( 1.230 2.524 3.317) 4.346 3.464 ( 0.123 0.697 -1.568) 1.720 3.540 ( -1.174 0.981 2.082) 2.584 3.576 ( -0.581 0.688 -2.229) 2.404 3.732 ( -0.228 1.341 -2.418) 2.774 3.894 ( 4.241 1.559 -0.784) 4.586 3.919 ( 0.182 0.846 6.574) 6.631 4.163 ( -0.392 -3.950 -4.470) 5.978 4.760 ( -0.669 0.789 -0.751) 1.279 4.799 ( 0.929 0.443 -0.888) 1.359 6.381 ( -0.791 5.886 5.019) 7.775 6.610 ( 3.285 6.872 -2.842) 8.130 6.729 ( -3.353 -5.272 4.322) 7.597 6.868 ( 1.494 1.105 2.001) 2.730 7.232 ( 1.086 1.584 2.444) 3.108 7.250 ( -4.742 0.127 -5.318) 7.126 7.371 ( -3.862 -0.740 -3.501) 5.265 7.517 ( -0.602 0.814 12.187) 12.229 7.543 ( 5.740 7.420 2.881) 9.813 7.699 ( -1.951 3.233 2.024) 4.284 7.825 ( -2.726 3.346 5.746) 7.186 7.978 ( -7.921 1.177 -2.469) 8.380 8.123 ( 4.654 -3.254 0.861) 5.744 8.186 ( -3.455 1.984 -6.636) 7.740 8.406 ( 3.632 1.261 2.862) 4.793 8.573 ( 1.385 -7.118 5.885) 9.339 8.755 ( 1.222 2.183 -12.349) 12.600 8.931 ( 2.542 -4.331 -2.594) 5.652 9.061 ( 0.855 -5.717 -1.073) 5.879 9.102 ( -0.292 -6.129 -2.669) 6.691 9.374 ( -1.729 2.827 -0.819) 3.414 9.447 ( 1.430 2.389 0.580) 2.844 9.603 ( 1.020 -1.682 3.665) 4.160 9.634 ( -4.109 -0.600 -4.320) 5.993 ======================= Grid point 193 (103/136) ======================= q-point: ( 0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -0.637 9.265 5.236) 10.662 1.825 ( 4.795 5.680 8.353) 11.181 1.887 ( -0.674 6.473 -5.068) 8.249 2.141 ( -1.908 1.459 -5.338) 5.854 2.322 ( -0.073 -2.896 1.023) 3.072 2.347 ( -0.551 -0.219 2.753) 2.816 2.401 ( 0.431 -1.031 2.386) 2.635 2.492 ( -0.096 0.717 -5.200) 5.251 2.553 ( -2.532 -4.288 2.338) 5.502 2.671 ( -0.473 -6.558 2.085) 6.897 2.737 ( 0.561 -4.401 -5.751) 7.264 2.890 ( -3.187 -8.618 0.932) 9.236 3.010 ( -2.352 1.722 0.905) 3.052 3.114 ( -0.748 -3.258 -1.221) 3.558 3.288 ( 2.955 4.490 4.397) 6.944 3.453 ( -1.185 -1.060 1.053) 1.907 3.530 ( 1.281 2.243 2.283) 3.447 3.584 ( 1.144 0.560 -1.930) 2.312 3.756 ( 1.779 3.889 2.332) 4.871 3.936 ( 0.704 3.021 1.822) 3.597 3.969 ( 3.041 3.243 -1.750) 4.778 4.138 ( -1.159 0.844 -3.704) 3.972 4.733 ( -0.730 0.800 -2.041) 2.310 4.823 ( 0.602 -1.570 0.821) 1.871 6.400 ( 1.328 4.886 5.826) 7.719 6.654 ( -0.764 2.506 1.882) 3.226 6.699 ( 1.709 1.012 0.145) 1.991 6.888 ( 0.047 2.440 1.559) 2.896 7.135 ( -4.883 2.604 -2.247) 5.973 7.204 ( -3.195 0.641 -0.704) 3.334 7.294 ( -1.760 -1.847 -6.171) 6.677 7.516 ( -2.536 -1.374 5.986) 6.645 7.645 ( -0.664 4.315 5.564) 7.072 7.673 ( 0.952 4.214 2.795) 5.145 7.785 ( -4.335 1.697 7.727) 9.021 7.835 ( -3.134 3.797 -0.384) 4.939 8.103 ( -2.136 4.024 -3.956) 6.033 8.257 ( 6.813 -3.199 2.786) 8.026 8.489 ( 3.454 0.596 2.520) 4.317 8.631 ( 2.189 -6.070 5.936) 8.767 8.746 ( 0.888 1.413 -11.172) 11.296 8.952 ( 0.120 -5.155 -3.136) 6.035 9.030 ( -2.380 -4.321 0.064) 4.934 9.128 ( 2.035 -4.468 -4.054) 6.367 9.336 ( -0.455 1.905 -3.464) 3.979 9.475 ( 0.998 0.643 0.500) 1.289 9.542 ( -3.653 0.079 -4.059) 5.461 9.617 ( -0.735 -2.936 2.999) 4.261 ======================= Grid point 194 (104/136) ======================= q-point: ( 0.38 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 5.237 5.647 1.163) 7.788 1.875 ( 0.888 6.170 -1.957) 6.534 1.922 ( 1.979 1.013 6.317) 6.697 2.072 ( -3.939 0.090 -2.888) 4.886 2.299 ( -2.401 -3.082 4.416) 5.896 2.341 ( -0.733 0.635 2.800) 2.963 2.425 ( 1.196 -1.524 1.711) 2.585 2.472 ( -3.801 -0.454 -1.293) 4.040 2.487 ( -0.485 0.490 -4.028) 4.087 2.634 ( -2.673 -9.766 1.376) 10.218 2.770 ( 2.132 -5.497 -5.500) 8.063 2.780 ( -4.012 -6.300 -1.205) 7.566 3.033 ( 2.175 -1.303 0.735) 2.640 3.095 ( -1.171 -3.460 -0.774) 3.734 3.350 ( 2.479 3.667 3.631) 5.725 3.441 ( -0.936 -0.231 4.071) 4.184 3.566 ( 1.161 1.559 -1.424) 2.410 3.598 ( 0.768 0.583 0.513) 1.092 3.828 ( 4.667 6.630 2.529) 8.493 3.928 ( -1.734 6.615 3.788) 7.818 4.012 ( 0.902 3.871 -4.151) 5.747 4.107 ( -0.250 3.768 -4.142) 5.605 4.735 ( 1.417 -0.954 -0.932) 1.946 4.818 ( -1.243 -2.388 0.289) 2.707 6.458 ( 2.598 4.082 6.858) 8.393 6.631 ( -1.246 0.145 5.494) 5.635 6.751 ( 2.500 6.032 -2.681) 7.058 6.876 ( -1.544 3.244 -0.253) 3.602 7.046 ( -3.824 2.143 1.544) 4.647 7.150 ( -1.268 -0.411 -1.015) 1.675 7.273 ( 0.111 -2.715 -3.167) 4.172 7.429 ( -5.293 -4.617 -6.748) 9.740 7.579 ( -4.088 3.488 6.587) 8.501 7.671 ( -3.588 0.171 7.926) 8.702 7.759 ( 0.638 7.216 5.789) 9.273 7.835 ( 0.881 4.418 0.150) 4.507 8.090 ( 1.300 7.056 0.571) 7.198 8.395 ( 5.903 -2.901 1.366) 6.718 8.555 ( 2.560 -0.163 2.657) 3.693 8.649 ( -1.862 -3.181 2.786) 4.620 8.741 ( 0.888 -1.351 -6.337) 6.540 8.935 ( -1.132 -5.014 -4.372) 6.748 8.976 ( -1.996 -2.855 0.570) 3.529 9.151 ( 1.183 -2.326 -4.858) 5.515 9.346 ( 1.621 -0.222 -2.407) 2.910 9.470 ( -2.811 0.374 -1.955) 3.444 9.502 ( 2.056 -1.910 -1.615) 3.238 9.595 ( -1.589 -3.148 1.041) 3.677 ======================= Grid point 195 (105/136) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -0.501 5.975 1.811) 6.264 1.859 ( -3.931 5.084 -0.625) 6.457 1.942 ( -1.986 -0.896 3.276) 3.935 2.054 ( 7.418 -2.863 -1.858) 8.166 2.288 ( 0.238 -2.354 4.819) 5.369 2.329 ( -1.622 -0.444 5.332) 5.591 2.383 ( -4.248 -2.497 3.666) 6.142 2.453 ( -1.898 -1.615 -4.003) 4.715 2.466 ( 2.297 -0.570 -2.880) 3.728 2.604 ( 0.169 -6.307 -2.441) 6.765 2.713 ( -0.483 -3.927 -0.692) 4.017 2.826 ( 3.002 -5.224 -4.877) 7.752 3.047 ( -1.949 -3.141 1.037) 3.839 3.087 ( 1.350 -2.997 -1.158) 3.485 3.344 ( -4.806 3.088 7.450) 9.388 3.473 ( 3.672 1.096 0.482) 3.862 3.582 ( 0.933 2.197 -0.804) 2.519 3.614 ( 0.571 -1.133 -1.080) 1.666 3.846 ( -3.776 6.592 3.729) 8.463 3.942 ( -1.359 10.189 3.370) 10.817 4.017 ( 4.995 6.424 -4.024) 9.078 4.108 ( 0.634 2.232 -4.942) 5.460 4.769 ( -0.983 -2.377 -0.057) 2.573 4.789 ( 1.217 -2.718 -0.628) 3.044 6.522 ( 1.631 4.014 7.466) 8.633 6.642 ( 0.777 2.769 7.384) 7.924 6.766 ( -0.683 5.622 -3.158) 6.485 6.829 ( -2.086 3.015 -3.226) 4.883 6.979 ( -4.275 0.672 4.079) 5.947 7.160 ( 2.390 -3.560 1.098) 4.426 7.249 ( -2.170 -3.523 -0.904) 4.235 7.334 ( -1.460 -3.102 -9.338) 9.947 7.543 ( -1.208 4.773 7.418) 8.903 7.629 ( -1.989 1.728 6.083) 6.629 7.779 ( 0.149 6.522 6.442) 9.168 7.875 ( 3.613 3.847 -2.137) 5.694 8.136 ( 2.297 7.943 2.079) 8.525 8.477 ( 1.812 0.270 -3.205) 3.692 8.578 ( -1.928 -2.139 2.179) 3.611 8.624 ( 0.063 -2.931 5.601) 6.322 8.750 ( 1.690 -3.559 -4.076) 5.669 8.878 ( -2.270 -0.846 -5.414) 5.931 8.981 ( 1.573 -5.220 0.468) 5.472 9.144 ( -0.756 -2.074 -4.954) 5.423 9.351 ( -1.875 -0.195 0.401) 1.928 9.424 ( -0.813 -1.419 -3.001) 3.417 9.531 ( 0.233 -2.072 0.630) 2.178 9.598 ( 3.318 -2.660 -3.058) 5.238 ======================= Grid point 196 (106/136) ======================= q-point: (-0.38 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -9.312 7.615 3.342) 12.485 1.845 ( 0.500 6.650 1.376) 6.809 1.913 ( -1.190 1.209 2.623) 3.124 2.192 ( 1.700 -1.773 -3.141) 3.988 2.302 ( 0.028 -2.719 3.715) 4.604 2.311 ( 0.056 -6.702 7.887) 10.350 2.339 ( -1.013 -1.640 1.529) 2.460 2.404 ( -1.446 -2.373 -2.444) 3.701 2.538 ( 5.855 -1.090 -2.821) 6.590 2.629 ( 2.313 -2.351 -3.359) 4.708 2.743 ( 3.634 -4.710 -2.472) 6.442 2.874 ( 3.080 -3.578 -2.844) 5.511 2.997 ( -2.938 -2.582 1.682) 4.258 3.103 ( 0.168 -2.477 -0.338) 2.505 3.264 ( -3.933 3.992 6.206) 8.362 3.508 ( -1.887 1.507 2.401) 3.405 3.592 ( -0.396 0.532 -1.143) 1.321 3.607 ( -0.319 0.053 -2.346) 2.369 3.777 ( -3.124 6.089 2.259) 7.207 3.907 ( -0.906 7.947 3.751) 8.834 4.079 ( -1.482 2.255 -3.783) 4.647 4.145 ( 5.846 4.950 -4.975) 9.134 4.713 ( -2.921 -0.832 -0.605) 3.097 4.840 ( 2.320 -3.645 -0.188) 4.325 6.547 ( -1.123 4.526 7.156) 8.541 6.685 ( 0.391 4.648 3.423) 5.786 6.723 ( -1.831 3.361 -0.568) 3.869 6.783 ( -1.285 1.685 0.454) 2.167 6.921 ( -1.276 0.277 1.960) 2.355 7.154 ( -4.570 -2.106 2.231) 5.504 7.264 ( 2.730 -1.334 2.998) 4.269 7.317 ( 2.855 -4.424 -7.334) 9.028 7.563 ( 1.091 5.116 5.609) 7.670 7.640 ( 2.338 3.027 3.649) 5.286 7.805 ( 0.726 6.272 6.653) 9.172 7.962 ( 5.078 1.798 -2.287) 5.852 8.182 ( 1.864 7.697 0.859) 7.966 8.454 ( -1.639 1.987 -7.108) 7.560 8.534 ( -3.491 -1.933 3.067) 5.033 8.631 ( -1.104 -5.523 6.602) 8.677 8.789 ( 1.824 -0.887 -7.714) 7.976 8.847 ( 1.431 -2.312 -0.893) 2.861 9.027 ( 2.228 -5.923 -0.516) 6.349 9.098 ( -2.015 -2.625 -4.052) 5.231 9.288 ( -3.684 -0.350 0.912) 3.811 9.398 ( -1.445 -2.610 -1.846) 3.508 9.548 ( 1.527 0.711 -0.656) 1.808 9.676 ( 4.398 -2.762 -3.332) 6.171 ======================= Grid point 197 (107/136) ======================= q-point: (-0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -5.065 11.580 7.857) 14.882 1.817 ( -5.345 7.208 9.953) 13.401 1.950 ( 4.971 3.845 -3.764) 7.325 2.159 ( -1.018 -1.801 -5.229) 5.624 2.298 ( -1.038 -4.344 6.508) 7.893 2.325 ( -0.501 -0.990 0.599) 1.261 2.358 ( 1.950 -5.052 1.169) 5.540 2.383 ( -0.683 -1.168 -0.190) 1.367 2.647 ( 4.566 -1.525 -2.278) 5.326 2.655 ( 1.155 -0.224 -4.665) 4.811 2.809 ( 1.212 -6.263 -1.204) 6.492 2.948 ( -2.087 -4.848 -0.438) 5.297 2.950 ( 4.043 -0.646 1.284) 4.291 3.107 ( 1.475 0.085 0.782) 1.671 3.243 ( 0.997 5.321 5.527) 7.737 3.416 ( -6.545 3.633 4.718) 8.848 3.546 ( -2.666 -0.454 -2.081) 3.413 3.617 ( 1.105 -0.367 -2.972) 3.192 3.736 ( -1.391 3.447 -0.484) 3.748 3.926 ( 0.901 4.473 4.649) 6.515 4.019 ( -3.251 0.506 -2.686) 4.248 4.215 ( 2.052 0.687 -5.972) 6.352 4.669 ( -0.997 1.847 0.355) 2.129 4.866 ( 0.386 -3.214 -0.795) 3.333 6.517 ( -3.241 5.352 6.039) 8.697 6.623 ( -3.241 3.489 -5.425) 7.218 6.725 ( 0.617 1.016 2.078) 2.394 6.827 ( 1.901 -2.272 11.785) 12.152 6.935 ( 3.039 5.977 -1.272) 6.825 7.073 ( -3.003 -0.300 3.269) 4.449 7.294 ( 1.667 -0.648 -0.262) 1.808 7.409 ( 4.495 -1.995 2.674) 5.598 7.593 ( 0.691 3.669 3.241) 4.945 7.730 ( 4.735 2.027 1.218) 5.292 7.839 ( 1.243 5.723 5.064) 7.742 8.035 ( 2.011 1.240 -2.407) 3.373 8.211 ( 0.906 6.451 -1.163) 6.618 8.407 ( -0.773 0.459 -8.279) 8.328 8.450 ( -4.946 -0.765 1.056) 5.115 8.614 ( -2.205 -5.196 5.968) 8.214 8.773 ( -0.031 -0.045 -7.707) 7.707 8.914 ( 2.896 -4.483 -1.892) 5.663 8.983 ( -3.658 -4.863 -2.390) 6.538 9.134 ( 4.459 -4.290 -0.263) 6.193 9.232 ( -1.823 -0.189 1.574) 2.416 9.372 ( -0.445 -1.753 0.233) 1.824 9.572 ( 0.829 2.471 -1.381) 2.949 9.741 ( 2.614 -2.579 -3.369) 4.984 ======================= Grid point 198 (108/136) ======================= q-point: (-0.12 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 1.595 13.237 11.101) 17.349 1.729 ( -5.326 9.238 13.560) 17.251 2.006 ( 0.686 3.747 -5.884) 7.009 2.181 ( 4.853 -0.582 -9.552) 10.730 2.298 ( -0.252 -5.260 5.241) 7.430 2.328 ( 0.548 -0.467 2.538) 2.638 2.351 ( -1.422 -1.754 -0.566) 2.328 2.415 ( 2.411 -2.487 2.429) 4.230 2.653 ( -0.232 0.449 -4.436) 4.464 2.699 ( 0.618 -1.213 -4.014) 4.239 2.780 ( -2.820 -1.454 3.660) 4.844 2.890 ( -2.806 -4.394 -1.465) 5.415 3.013 ( 2.209 4.381 5.803) 7.599 3.159 ( 2.183 -0.933 -0.511) 2.428 3.262 ( -3.122 3.397 4.288) 6.299 3.407 ( 6.604 0.727 1.543) 6.821 3.486 ( -2.189 0.044 -2.888) 3.624 3.626 ( 0.178 -0.050 -2.580) 2.587 3.719 ( 0.326 2.093 -0.707) 2.233 3.938 ( -4.661 0.928 -1.160) 4.892 3.940 ( -0.970 -0.024 5.283) 5.371 4.206 ( -0.727 -5.042 -5.930) 7.817 4.679 ( 1.619 3.490 1.254) 4.046 4.856 ( -0.980 -1.899 -1.839) 2.819 6.459 ( -3.671 6.053 5.037) 8.688 6.568 ( -0.862 4.528 -4.484) 6.430 6.760 ( 2.272 -0.447 2.578) 3.465 6.836 ( -2.553 -5.337 6.203) 8.572 7.059 ( 5.173 3.040 5.470) 8.119 7.085 ( 5.822 4.812 3.747) 8.432 7.340 ( 2.657 -0.609 0.074) 2.727 7.479 ( 1.172 1.957 6.916) 7.283 7.596 ( -1.437 2.510 1.196) 3.130 7.787 ( 0.526 0.576 -1.910) 2.064 7.872 ( 0.460 4.886 3.192) 5.854 8.034 ( -0.486 1.488 -2.066) 2.592 8.205 ( -1.166 4.437 -2.508) 5.228 8.340 ( -4.419 0.045 -5.920) 7.387 8.395 ( -0.435 -1.058 -2.569) 2.813 8.579 ( -2.348 -4.932 5.236) 7.567 8.762 ( 0.565 0.134 -7.741) 7.763 8.880 ( -1.248 -5.836 -7.109) 9.282 8.984 ( 1.163 -4.459 1.904) 4.985 9.186 ( -0.417 -6.446 -2.538) 6.941 9.255 ( 4.160 2.378 3.243) 5.786 9.394 ( 2.038 -0.615 3.723) 4.289 9.572 ( -0.331 3.119 -1.514) 3.483 9.758 ( -0.136 -2.094 -3.579) 4.149 ======================= Grid point 199 (109/136) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 1.255 10.049 5.885) 11.713 1.906 ( 0.716 7.680 6.514) 10.096 2.062 ( -0.487 2.269 -2.387) 3.329 2.153 ( 0.990 -6.366 -0.972) 6.516 2.228 ( 2.239 -2.487 3.910) 5.147 2.271 ( 0.309 -3.253 -2.442) 4.080 2.389 ( 0.694 1.224 3.943) 4.187 2.420 ( 0.486 -1.642 4.230) 4.563 2.639 ( -2.234 2.358 -5.480) 6.370 2.656 ( -0.500 -0.196 -5.657) 5.683 2.712 ( -0.417 -0.671 -1.997) 2.148 2.773 ( -0.083 -5.295 -4.126) 6.713 3.130 ( 0.405 0.640 0.188) 0.780 3.154 ( -0.491 -1.433 -0.917) 1.770 3.353 ( -2.520 9.212 3.386) 10.133 3.459 ( 0.422 -1.207 -2.641) 2.934 3.547 ( 2.373 1.749 1.088) 3.143 3.599 ( -0.545 -2.185 -0.939) 2.440 3.791 ( 2.484 0.587 0.991) 2.738 3.806 ( -0.952 -0.654 0.741) 1.372 3.942 ( -2.355 2.483 5.261) 6.276 4.037 ( -1.196 -6.514 0.965) 6.692 4.775 ( 0.892 2.117 0.824) 2.441 4.810 ( -0.211 -1.183 -0.843) 1.468 6.530 ( -2.638 5.812 5.665) 8.534 6.639 ( -0.588 -2.628 3.900) 4.740 6.694 ( 0.118 1.138 0.685) 1.333 6.772 ( 3.010 -3.974 0.387) 5.001 7.207 ( 4.131 3.196 1.249) 5.371 7.263 ( 3.160 -1.875 -1.237) 3.877 7.436 ( 0.306 4.320 7.770) 8.895 7.513 ( -0.893 -2.343 10.844) 11.130 7.650 ( -1.197 6.260 -0.407) 6.387 7.740 ( -1.765 -2.203 -1.184) 3.061 7.949 ( -1.430 3.889 0.875) 4.235 8.016 ( -0.368 -2.728 0.711) 2.843 8.185 ( -5.646 3.616 -5.337) 8.570 8.264 ( -3.084 -2.508 -7.283) 8.297 8.386 ( 0.139 2.834 2.627) 3.867 8.457 ( -1.244 -3.682 3.847) 5.468 8.774 ( 3.368 0.819 -8.388) 9.076 8.820 ( 4.598 -2.902 -8.555) 10.137 8.938 ( -0.898 0.492 -0.324) 1.073 9.021 ( -1.753 -6.017 -3.801) 7.330 9.395 ( 3.059 2.286 4.792) 6.128 9.436 ( 2.511 -1.431 4.728) 5.541 9.615 ( -1.419 3.010 -2.736) 4.308 9.676 ( -2.063 -2.672 -3.878) 5.141 ======================= Grid point 200 (110/136) ======================= q-point: ( 0.12 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 1.775 8.174 4.714) 9.602 1.937 ( -0.183 7.626 5.253) 9.262 2.026 ( -1.999 4.931 -4.441) 6.931 2.166 ( -0.189 -5.920 -2.601) 6.469 2.250 ( -0.595 -1.141 -0.561) 1.404 2.279 ( 1.335 -4.525 0.875) 4.799 2.400 ( -0.322 0.781 6.003) 6.062 2.436 ( 0.073 -2.988 6.183) 6.867 2.591 ( -0.949 4.101 -6.596) 7.824 2.639 ( -0.017 -0.033 -5.272) 5.272 2.686 ( -1.889 -1.569 -1.833) 3.065 2.759 ( -0.628 -6.690 -2.940) 7.334 3.093 ( -3.562 -0.314 0.495) 3.610 3.105 ( -3.204 -1.470 -1.050) 3.678 3.346 ( 0.888 6.451 2.115) 6.847 3.442 ( -1.100 -2.849 -1.094) 3.244 3.560 ( -0.746 0.970 1.125) 1.662 3.578 ( -1.040 -0.587 -0.375) 1.252 3.812 ( 2.852 5.748 0.346) 6.426 3.901 ( 5.420 -1.849 0.579) 5.756 3.953 ( 1.860 3.097 4.446) 5.729 4.053 ( 2.095 -6.134 1.797) 6.727 4.782 ( -0.628 1.158 -0.074) 1.319 4.800 ( -0.343 -0.472 -0.679) 0.896 6.500 ( -1.515 5.615 5.304) 7.872 6.614 ( -2.225 -5.527 5.222) 7.922 6.738 ( 3.614 5.585 -1.226) 6.765 6.839 ( 3.344 -3.799 0.521) 5.088 7.244 ( -1.369 0.399 -4.087) 4.328 7.254 ( -2.384 -0.459 -5.401) 5.922 7.411 ( -3.687 4.756 6.007) 8.503 7.501 ( -2.119 -2.788 10.000) 10.595 7.678 ( 2.244 4.549 5.292) 7.330 7.728 ( -0.498 -0.405 4.062) 4.113 7.910 ( -2.653 4.008 1.084) 4.927 7.997 ( -2.417 -3.154 -5.307) 6.630 8.088 ( -1.014 4.324 2.903) 5.306 8.193 ( -1.961 -2.786 -3.432) 4.835 8.432 ( 3.482 1.203 2.331) 4.360 8.465 ( 1.367 -2.772 3.181) 4.435 8.821 ( 2.531 4.102 -12.047) 12.976 8.877 ( 2.216 -0.808 -5.054) 5.578 8.946 ( 2.385 -4.447 -0.352) 5.058 8.971 ( -1.740 -5.775 -3.178) 6.818 9.432 ( -0.710 2.630 1.506) 3.113 9.471 ( 0.268 -0.608 1.595) 1.728 9.584 ( -1.069 0.444 0.041) 1.158 9.611 ( -3.119 -1.573 -3.355) 4.843 ======================= Grid point 201 (111/136) ======================= q-point: ( 0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -3.616 10.152 2.828) 11.142 1.939 ( 1.403 4.778 3.768) 6.244 1.998 ( 0.083 2.960 -4.491) 5.379 2.105 ( -3.661 -5.945 -3.969) 8.032 2.259 ( 0.506 -0.843 2.685) 2.859 2.303 ( 0.744 -3.934 0.975) 4.121 2.412 ( -0.084 1.374 5.702) 5.866 2.456 ( 0.147 -3.324 5.975) 6.838 2.555 ( -1.007 4.540 -7.413) 8.751 2.605 ( -3.590 1.025 -0.127) 3.736 2.648 ( 0.359 -4.121 -7.803) 8.832 2.715 ( -3.282 -8.028 -1.596) 8.819 3.030 ( -1.715 0.764 0.055) 1.878 3.057 ( -1.369 -2.031 -0.260) 2.463 3.370 ( 0.950 3.288 1.323) 3.670 3.424 ( -0.407 -1.950 0.971) 2.216 3.561 ( 0.913 0.948 0.922) 1.607 3.579 ( 1.046 -0.797 -0.278) 1.344 3.887 ( 4.035 7.272 2.041) 8.563 3.974 ( 2.153 -0.495 1.446) 2.641 4.028 ( 3.926 3.051 0.425) 4.991 4.106 ( 2.185 -3.735 1.721) 4.657 4.756 ( -1.428 1.491 -0.993) 2.291 4.790 ( -0.777 -1.677 -0.154) 1.855 6.501 ( 0.286 4.715 5.750) 7.441 6.592 ( -1.061 -4.161 5.168) 6.719 6.813 ( 3.837 5.596 -1.310) 6.911 6.898 ( 2.146 -2.085 0.734) 3.081 7.173 ( -2.810 0.965 -3.870) 4.879 7.199 ( -1.158 -1.646 -4.672) 5.087 7.316 ( -6.876 5.613 -0.482) 8.889 7.447 ( -5.670 -5.556 2.058) 8.200 7.686 ( -3.937 1.261 9.704) 10.548 7.708 ( -2.656 -0.472 7.418) 7.893 7.882 ( 0.293 6.166 1.735) 6.412 7.948 ( -0.350 2.786 -4.968) 5.706 8.136 ( 2.924 0.491 3.313) 4.446 8.194 ( 2.635 -2.696 4.529) 5.892 8.504 ( 3.071 1.111 2.428) 4.069 8.541 ( 4.602 -2.622 3.607) 6.408 8.799 ( -1.407 3.544 -8.749) 9.544 8.877 ( -1.493 -3.180 -6.086) 7.027 8.952 ( 1.235 -1.089 -0.761) 1.814 9.016 ( 3.901 -5.568 -5.289) 8.614 9.392 ( -1.923 3.275 -3.070) 4.884 9.457 ( -1.397 -2.480 -2.494) 3.785 9.546 ( -2.514 0.584 0.144) 2.585 9.568 ( -1.508 -1.620 2.055) 3.020 ======================= Grid point 202 (112/136) ======================= q-point: ( 0.38 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.893 6.014 1.431) 6.246 1.938 ( -1.668 0.299 1.811) 2.480 1.990 ( -0.500 3.231 -2.102) 3.887 2.042 ( -2.061 -2.791 -3.301) 4.789 2.258 ( -1.310 0.266 5.260) 5.427 2.310 ( -0.613 -3.513 3.041) 4.686 2.413 ( -1.548 0.745 4.194) 4.532 2.451 ( -1.878 -2.632 2.700) 4.212 2.522 ( -3.682 1.685 -1.132) 4.205 2.533 ( 0.881 2.037 -5.924) 6.326 2.644 ( -1.059 -5.326 -3.315) 6.362 2.660 ( 1.378 -4.941 -6.986) 8.667 3.023 ( 0.299 0.170 0.271) 0.438 3.041 ( -0.420 -1.708 -0.222) 1.772 3.406 ( 2.324 1.978 1.670) 3.479 3.433 ( 0.552 -0.712 2.747) 2.891 3.582 ( 0.732 0.472 0.277) 0.914 3.594 ( 0.108 -0.629 0.832) 1.049 3.973 ( 2.887 5.859 2.236) 6.904 4.023 ( 3.188 1.384 -1.212) 3.681 4.081 ( 1.186 3.519 1.408) 3.971 4.141 ( 1.317 -1.039 0.051) 1.678 4.730 ( -0.786 0.762 -0.625) 1.261 4.766 ( -1.509 -2.465 -0.348) 2.911 6.541 ( 2.051 3.752 7.086) 8.276 6.604 ( 0.987 -2.285 6.173) 6.656 6.874 ( 2.587 4.865 -1.413) 5.688 6.928 ( 0.690 0.283 0.901) 1.170 7.100 ( -5.586 3.315 -2.255) 6.876 7.167 ( -5.882 0.506 -4.294) 7.301 7.198 ( 1.085 -1.132 -1.745) 2.346 7.307 ( -5.418 -6.801 -5.368) 10.218 7.635 ( -3.155 2.077 10.113) 10.796 7.665 ( -3.129 -0.872 9.857) 10.378 7.896 ( 0.064 5.477 1.234) 5.615 7.938 ( 0.250 2.685 -3.506) 4.423 8.209 ( 3.557 4.019 4.307) 6.881 8.293 ( 4.498 -5.032 7.739) 10.269 8.576 ( 3.224 2.237 3.001) 4.940 8.621 ( 1.623 -1.357 2.488) 3.266 8.735 ( -2.846 1.824 -6.110) 6.982 8.825 ( -1.480 -5.737 -4.662) 7.540 8.968 ( 0.563 2.791 -4.733) 5.524 9.065 ( 2.170 -5.400 -6.599) 8.799 9.367 ( 0.221 2.196 -2.832) 3.591 9.426 ( -0.754 -3.169 -3.929) 5.104 9.504 ( -1.509 1.110 1.537) 2.423 9.538 ( -1.585 -2.214 1.112) 2.941 ======================= Grid point 203 (113/136) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -0.645 2.573 1.684) 3.142 1.931 ( 1.770 -0.012 1.013) 2.040 1.958 ( -1.823 3.127 -0.949) 3.742 1.991 ( -0.060 -2.073 -1.890) 2.806 2.257 ( -0.149 0.326 5.997) 6.007 2.300 ( -1.222 -2.765 5.553) 6.323 2.363 ( -3.471 0.577 2.337) 4.224 2.396 ( -3.661 -2.542 0.450) 4.479 2.491 ( 1.199 2.836 -3.226) 4.459 2.552 ( 2.222 -1.371 -3.963) 4.746 2.642 ( 1.749 -1.771 -4.130) 4.822 2.691 ( 2.731 -5.824 -6.253) 8.971 3.021 ( -0.749 0.194 0.529) 0.938 3.041 ( 0.470 -1.611 -0.571) 1.772 3.413 ( -2.568 3.442 5.009) 6.598 3.470 ( 1.640 -1.631 1.480) 2.747 3.594 ( 0.135 -0.055 0.313) 0.346 3.600 ( 1.253 -0.336 -0.725) 1.486 3.973 ( -2.750 5.378 2.674) 6.606 4.046 ( -1.965 -0.904 0.406) 2.201 4.142 ( 4.972 4.938 -1.109) 7.095 4.166 ( 1.075 2.466 -1.583) 3.122 4.726 ( -0.201 -1.249 -0.043) 1.266 4.735 ( -0.548 -2.017 -0.320) 2.114 6.604 ( 1.781 3.638 8.574) 9.482 6.658 ( 2.146 -1.178 7.837) 8.210 6.891 ( -5.459 4.887 -0.894) 7.381 6.918 ( 2.399 5.601 -2.356) 6.533 6.967 ( -7.146 -1.479 -1.068) 7.375 7.063 ( 0.083 -6.118 -2.813) 6.734 7.208 ( 0.021 0.683 -1.125) 1.317 7.262 ( 0.249 -3.713 -5.305) 6.480 7.619 ( -0.626 2.525 9.167) 9.529 7.646 ( -0.824 -0.166 8.272) 8.315 7.900 ( 0.336 4.718 1.901) 5.098 7.943 ( 1.162 1.161 -2.645) 3.113 8.289 ( 2.961 5.971 5.178) 8.440 8.391 ( 3.124 -5.164 8.124) 10.121 8.591 ( -3.713 1.610 -3.007) 5.042 8.615 ( -1.559 -0.220 0.534) 1.663 8.702 ( 2.171 1.578 -1.575) 3.112 8.819 ( 1.674 -7.089 -2.155) 7.596 8.951 ( -0.751 4.380 -6.526) 7.895 9.065 ( -0.470 -5.403 -7.295) 9.090 9.358 ( -1.903 0.871 -0.161) 2.099 9.387 ( -2.276 -1.847 -1.671) 3.374 9.513 ( 2.030 0.385 -0.218) 2.078 9.543 ( 2.907 -2.340 -1.838) 4.159 ======================= Grid point 204 (114/136) ======================= q-point: (-0.38 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -5.031 7.012 2.664) 9.032 1.927 ( -1.300 -0.514 2.159) 2.572 1.964 ( 2.837 4.172 -0.181) 5.049 2.082 ( 5.563 -6.965 -2.147) 9.168 2.243 ( -4.629 -0.032 7.448) 8.769 2.264 ( -2.368 -1.204 4.359) 5.105 2.341 ( -0.300 0.503 0.809) 0.999 2.352 ( 0.435 -1.447 1.106) 1.873 2.540 ( 4.624 2.099 -4.055) 6.499 2.607 ( 4.035 -1.706 -3.911) 5.873 2.676 ( 2.425 -1.301 -4.511) 5.284 2.729 ( 2.312 -6.785 -5.036) 8.760 3.005 ( -0.769 1.747 0.540) 1.984 3.049 ( 0.509 -2.502 -0.517) 2.605 3.370 ( -2.108 5.669 4.238) 7.385 3.476 ( -0.956 -4.132 1.397) 4.466 3.596 ( -0.700 0.882 -0.169) 1.139 3.612 ( -0.200 -0.376 -1.257) 1.327 3.905 ( -4.136 5.825 2.535) 7.580 3.989 ( -3.356 -1.324 2.080) 4.165 4.153 ( -1.829 5.319 -1.063) 5.724 4.215 ( 1.723 0.456 -2.768) 3.293 4.709 ( -0.216 1.039 0.058) 1.063 4.761 ( 1.893 -3.644 0.115) 4.107 6.635 ( -1.014 3.828 8.551) 9.423 6.693 ( -1.417 -1.622 5.389) 5.804 6.785 ( -3.594 1.947 -0.901) 4.186 6.816 ( -5.482 -0.687 0.261) 5.531 6.989 ( 4.761 6.632 -0.624) 8.188 7.121 ( 1.871 -4.056 0.532) 4.498 7.210 ( 2.903 -0.407 -0.838) 3.049 7.251 ( 0.030 -2.607 -2.936) 3.926 7.647 ( 0.722 2.791 7.550) 8.081 7.674 ( 1.853 0.226 6.222) 6.496 7.923 ( 1.280 4.581 2.143) 5.218 7.979 ( 2.950 -0.736 -1.973) 3.625 8.344 ( 1.255 7.030 3.960) 8.166 8.446 ( -0.213 -3.162 5.613) 6.445 8.508 ( -2.884 0.510 -2.837) 4.078 8.548 ( -3.507 -2.857 -1.326) 4.714 8.775 ( 3.907 1.510 -1.456) 4.434 8.853 ( 1.413 -2.730 -5.676) 6.455 8.920 ( -0.285 0.719 -2.662) 2.772 9.016 ( -2.092 -5.200 -6.130) 8.306 9.299 ( -3.008 1.372 0.457) 3.338 9.341 ( -1.809 -2.608 -0.420) 3.202 9.571 ( 3.395 1.664 -1.496) 4.066 9.617 ( 4.225 -2.737 -2.552) 5.645 ======================= Grid point 205 (115/136) ======================= q-point: (-0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -1.604 10.550 5.321) 11.924 1.916 ( -0.951 -0.478 4.863) 4.978 2.040 ( 4.475 4.658 -0.462) 6.475 2.114 ( -2.205 -0.743 -1.489) 2.763 2.208 ( -1.950 -4.523 7.285) 8.794 2.228 ( 1.130 -5.498 -0.282) 5.621 2.343 ( 0.202 1.696 0.854) 1.910 2.370 ( 0.500 -0.502 1.931) 2.057 2.639 ( 5.235 1.619 -4.161) 6.880 2.664 ( 2.040 0.748 -4.661) 5.143 2.712 ( 1.657 -2.525 -4.112) 5.102 2.767 ( 2.668 -7.882 -3.917) 9.198 3.009 ( 1.769 2.713 0.410) 3.265 3.067 ( 1.769 -2.822 -0.638) 3.391 3.368 ( 1.198 5.481 2.640) 6.200 3.450 ( -2.106 -1.820 0.492) 2.827 3.557 ( -2.747 2.114 1.398) 3.738 3.597 ( -0.378 -1.525 -1.473) 2.153 3.831 ( -3.760 5.443 1.834) 6.865 3.931 ( -3.290 -3.428 2.623) 5.428 4.093 ( -3.751 5.512 0.287) 6.674 4.190 ( -3.368 -3.267 -1.868) 5.050 4.722 ( 1.188 3.200 0.323) 3.428 4.794 ( 1.222 -3.665 -0.099) 3.865 6.610 ( -2.921 3.432 6.662) 8.043 6.652 ( -1.974 -0.465 1.646) 2.612 6.720 ( -2.071 0.683 -1.107) 2.446 6.770 ( -1.941 -3.234 5.648) 6.792 7.089 ( 4.446 5.397 0.232) 6.996 7.109 ( -0.762 2.771 0.974) 3.034 7.275 ( 3.408 0.063 -0.371) 3.429 7.337 ( 6.739 -4.381 4.184) 9.061 7.675 ( 0.445 3.824 5.342) 6.585 7.735 ( 2.379 -1.609 3.987) 4.914 7.956 ( 1.374 5.055 1.343) 5.408 8.030 ( 1.866 -1.927 -1.630) 3.139 8.348 ( -1.561 5.729 -1.169) 6.051 8.406 ( -2.575 -0.712 -2.208) 3.466 8.450 ( -2.844 0.971 -1.491) 3.355 8.514 ( -1.227 -4.368 5.074) 6.807 8.784 ( -1.045 1.165 -9.210) 9.342 8.839 ( -2.037 -3.635 -8.231) 9.226 8.922 ( 1.401 1.218 0.631) 1.961 9.014 ( 2.600 -6.171 -1.080) 6.782 9.266 ( -0.103 2.627 1.820) 3.197 9.324 ( 0.283 -2.804 1.463) 3.175 9.624 ( 2.054 2.654 -2.119) 3.969 9.682 ( 2.674 -2.960 -2.913) 4.939 ======================= Grid point 206 (116/136) ======================= q-point: (-0.12 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 1.819 11.644 6.579) 13.498 1.903 ( -1.668 5.271 7.003) 8.922 2.074 ( -0.808 -0.769 -1.093) 1.562 2.124 ( 3.160 -1.969 -0.613) 3.773 2.184 ( -0.209 -2.546 3.957) 4.710 2.264 ( 1.049 -5.400 -1.105) 5.611 2.358 ( 1.069 1.838 2.069) 2.967 2.392 ( 1.217 -0.867 2.759) 3.137 2.671 ( 0.153 1.044 -5.159) 5.266 2.687 ( 0.172 0.243 -5.010) 5.018 2.720 ( 0.356 -1.332 -2.910) 3.220 2.783 ( 0.094 -5.380 -3.772) 6.571 3.079 ( 4.007 2.040 0.343) 4.509 3.122 ( 3.367 -2.255 -1.198) 4.226 3.398 ( -2.358 5.235 1.253) 5.877 3.428 ( 3.584 0.683 -0.628) 3.702 3.513 ( -1.629 3.886 2.603) 4.953 3.601 ( 0.646 -2.705 -0.723) 2.874 3.774 ( -1.711 3.474 0.975) 3.993 3.864 ( -3.757 -4.569 2.045) 6.259 4.012 ( -4.635 3.600 2.671) 6.448 4.098 ( -4.605 -4.961 -0.358) 6.779 4.750 ( 1.361 3.213 0.664) 3.552 4.809 ( 0.406 -2.576 -0.364) 2.633 6.570 ( -2.706 4.779 6.167) 8.258 6.632 ( -0.348 1.045 1.283) 1.691 6.704 ( -0.098 -2.497 1.827) 3.095 6.742 ( -1.208 -3.708 2.577) 4.674 7.127 ( 2.584 3.761 1.783) 4.899 7.177 ( 4.385 0.436 0.943) 4.506 7.367 ( 4.335 4.233 4.316) 7.439 7.459 ( 3.590 -3.373 8.262) 9.619 7.683 ( -0.867 5.056 1.701) 5.405 7.769 ( 0.013 -2.663 0.379) 2.690 7.969 ( -0.502 4.184 0.698) 4.271 8.032 ( -0.944 -1.711 -1.026) 2.208 8.288 ( -3.256 3.179 -4.909) 6.694 8.340 ( -2.774 -1.557 -7.644) 8.280 8.405 ( -2.024 3.384 2.548) 4.694 8.488 ( -2.462 -3.944 4.796) 6.679 8.758 ( 0.642 -0.624 -8.257) 8.305 8.778 ( 0.380 -3.307 -8.764) 9.375 8.949 ( 0.399 1.924 -0.856) 2.143 9.046 ( 0.414 -6.543 -2.846) 7.147 9.311 ( 3.455 2.841 4.308) 6.210 9.365 ( 2.779 -2.177 4.473) 5.698 9.638 ( -0.001 3.295 -2.688) 4.253 9.704 ( 0.256 -3.009 -3.380) 4.533 ======================= Grid point 231 (117/136) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -5.877 0.000 -14.118) 15.292 1.660 ( 5.877 0.000 14.118) 15.292 1.794 ( -0.742 0.000 -13.767) 13.787 1.794 ( 0.742 0.000 13.767) 13.787 2.343 ( 3.823 0.000 -4.601) 5.982 2.343 ( -3.823 0.000 4.601) 5.982 2.515 ( 0.254 0.000 -4.296) 4.303 2.515 ( -0.254 0.000 4.296) 4.303 2.642 ( -5.145 0.000 -1.740) 5.431 2.642 ( 5.145 0.000 1.740) 5.431 2.960 ( 1.331 0.000 -8.795) 8.895 2.960 ( -1.331 0.000 8.795) 8.895 3.155 ( -1.117 0.000 -2.942) 3.147 3.155 ( 1.117 0.000 2.942) 3.147 3.247 ( -3.437 0.000 -4.934) 6.013 3.247 ( 3.437 0.000 4.934) 6.013 3.531 ( -0.708 0.000 -1.196) 1.390 3.531 ( 0.708 0.000 1.196) 1.390 3.784 ( 2.615 0.000 -1.092) 2.834 3.784 ( -2.615 0.000 1.092) 2.834 4.117 ( -0.254 0.000 -10.812) 10.815 4.117 ( 0.254 0.000 10.812) 10.815 4.730 ( -5.004 0.000 -3.758) 6.258 4.730 ( 5.004 0.000 3.758) 6.258 6.282 ( 1.141 0.000 -4.012) 4.171 6.282 ( -1.141 0.000 4.012) 4.171 6.803 ( -1.126 0.000 -3.480) 3.658 6.803 ( 1.126 0.000 3.480) 3.658 7.268 ( -3.363 0.000 -6.974) 7.742 7.268 ( 3.363 0.000 6.974) 7.742 7.427 ( -1.248 0.000 -8.103) 8.198 7.427 ( 1.248 0.000 8.103) 8.198 7.576 ( -4.445 0.000 -8.411) 9.514 7.576 ( 4.445 0.000 8.411) 9.514 7.997 ( 2.737 0.000 -8.907) 9.318 7.997 ( -2.737 0.000 8.907) 9.318 8.073 ( -0.391 0.000 -6.538) 6.550 8.073 ( 0.391 0.000 6.538) 6.550 8.486 ( 0.902 0.000 -11.174) 11.210 8.486 ( -0.902 0.000 11.174) 11.210 8.925 ( 2.081 0.000 -7.336) 7.626 8.925 ( -2.081 0.000 7.336) 7.626 9.258 ( 1.919 0.000 -1.148) 2.236 9.258 ( -1.919 0.000 1.148) 2.236 9.287 ( -1.080 0.000 -0.474) 1.180 9.287 ( 1.080 0.000 0.474) 1.180 9.655 ( -4.814 0.000 -4.289) 6.447 9.655 ( 4.814 0.000 4.289) 6.447 ======================= Grid point 233 (118/136) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -4.634 0.000 -14.512) 15.234 1.719 ( -3.685 0.000 11.076) 11.673 1.814 ( 5.821 0.000 -11.256) 12.672 1.879 ( 4.303 0.000 13.088) 13.777 2.299 ( -0.909 0.000 4.753) 4.839 2.394 ( 1.964 0.000 -2.809) 3.428 2.492 ( -2.041 0.000 -1.583) 2.583 2.522 ( -0.083 0.000 5.786) 5.787 2.598 ( 1.991 0.000 -6.812) 7.098 2.759 ( 3.912 0.000 1.238) 4.103 2.952 ( -0.947 0.000 4.630) 4.726 2.969 ( 2.119 0.000 -8.112) 8.384 3.139 ( -0.662 0.000 -10.380) 10.401 3.185 ( 0.069 0.000 -0.415) 0.420 3.219 ( 3.805 0.000 5.222) 6.461 3.324 ( 3.401 0.000 2.079) 3.986 3.493 ( -3.189 0.000 -1.413) 3.487 3.543 ( 0.398 0.000 2.422) 2.454 3.716 ( -3.833 0.000 -0.013) 3.833 3.804 ( -0.375 0.000 -0.538) 0.656 4.059 ( -2.974 0.000 -7.102) 7.699 4.107 ( -4.341 0.000 11.534) 12.323 4.645 ( -1.834 0.000 -4.103) 4.495 4.836 ( 4.234 0.000 2.834) 5.095 6.297 ( 1.525 0.000 4.488) 4.740 6.321 ( 3.489 0.000 -3.417) 4.883 6.768 ( -1.263 0.000 -4.835) 4.997 6.824 ( 0.005 0.000 2.906) 2.906 7.175 ( -3.374 0.000 -4.339) 5.496 7.289 ( -3.400 0.000 8.763) 9.399 7.343 ( -3.851 0.000 -11.238) 11.880 7.459 ( 0.527 0.000 3.913) 3.948 7.488 ( -2.818 0.000 -6.988) 7.535 7.680 ( 2.872 0.000 8.799) 9.255 7.918 ( -4.312 0.000 -12.786) 13.494 7.928 ( -3.089 0.000 2.295) 3.848 8.119 ( -0.911 0.000 15.908) 15.935 8.139 ( 4.166 0.000 -1.450) 4.411 8.501 ( 3.480 0.000 -10.055) 10.640 8.516 ( 1.412 0.000 9.288) 9.395 8.934 ( 1.221 0.000 6.950) 7.056 8.966 ( 3.407 0.000 -8.324) 8.994 9.183 ( -3.999 0.000 -1.562) 4.293 9.214 ( -2.529 0.000 -2.642) 3.657 9.342 ( 3.299 0.000 1.376) 3.574 9.343 ( 2.546 0.000 2.675) 3.693 9.530 ( -6.147 0.000 -4.492) 7.613 9.732 ( 1.753 0.000 3.658) 4.056 ======================= Grid point 234 (119/136) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 3.261 0.000 -10.951) 11.427 1.665 ( -2.222 0.000 6.475) 6.846 1.907 ( 5.403 0.000 -8.339) 9.937 2.015 ( 5.556 0.000 11.134) 12.443 2.318 ( 1.070 0.000 3.639) 3.793 2.411 ( 0.544 0.000 -2.214) 2.280 2.441 ( -2.446 0.000 -1.382) 2.809 2.544 ( 0.599 0.000 6.646) 6.673 2.657 ( 4.919 0.000 -8.535) 9.851 2.736 ( -5.844 0.000 0.849) 5.905 2.960 ( 1.481 0.000 1.353) 2.005 2.960 ( -3.613 0.000 2.119) 4.188 3.151 ( 6.350 0.000 -14.254) 15.604 3.227 ( 2.510 0.000 1.944) 3.175 3.285 ( -0.967 0.000 5.213) 5.302 3.399 ( -2.777 0.000 -3.383) 4.376 3.403 ( 3.436 0.000 -1.190) 3.636 3.569 ( 1.333 0.000 2.733) 3.041 3.654 ( -1.112 0.000 -4.515) 4.650 3.778 ( -1.899 0.000 0.858) 2.083 3.975 ( -4.222 0.000 -1.319) 4.423 4.005 ( -7.888 0.000 9.387) 12.262 4.649 ( 2.946 0.000 -2.529) 3.883 4.899 ( 1.302 0.000 2.182) 2.541 6.361 ( 3.516 0.000 4.786) 5.939 6.397 ( 4.685 0.000 -2.860) 5.489 6.734 ( -0.599 0.000 -6.447) 6.474 6.810 ( -2.373 0.000 3.195) 3.980 7.127 ( -0.663 0.000 -3.599) 3.659 7.224 ( -4.219 0.000 9.857) 10.722 7.272 ( -0.013 0.000 -7.774) 7.774 7.409 ( -3.115 0.000 -8.271) 8.839 7.443 ( -2.784 0.000 1.607) 3.214 7.693 ( -3.540 0.000 2.657) 4.426 7.812 ( -3.481 0.000 -6.972) 7.793 7.910 ( -0.087 0.000 5.112) 5.113 8.106 ( -3.755 0.000 16.963) 17.373 8.184 ( 1.605 0.000 -8.117) 8.274 8.575 ( 5.518 0.000 -6.612) 8.612 8.585 ( 3.119 0.000 7.017) 7.679 8.988 ( 1.732 0.000 7.531) 7.728 9.003 ( 2.270 0.000 -8.833) 9.120 9.102 ( -3.441 0.000 -2.187) 4.078 9.156 ( -3.091 0.000 -0.642) 3.157 9.390 ( 1.312 0.000 2.409) 2.744 9.403 ( -1.237 0.000 0.161) 1.247 9.425 ( 1.442 0.000 -3.387) 3.681 9.743 ( -1.315 0.000 2.545) 2.865 ======================= Grid point 235 (120/136) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 8.474 0.000 -4.202) 9.459 1.690 ( 3.246 0.000 0.061) 3.246 1.973 ( 2.787 0.000 -4.186) 5.029 2.111 ( 0.307 0.000 7.396) 7.402 2.348 ( 1.113 0.000 2.619) 2.846 2.398 ( -1.108 0.000 -2.075) 2.353 2.407 ( -0.447 0.000 -1.693) 1.751 2.503 ( -8.054 0.000 4.483) 9.218 2.680 ( 3.665 0.000 6.538) 7.495 2.727 ( 3.814 0.000 -7.073) 8.035 2.884 ( -3.339 0.000 -0.055) 3.339 3.023 ( 3.449 0.000 -4.101) 5.358 3.158 ( -7.668 0.000 -2.534) 8.076 3.257 ( 2.244 0.000 -1.660) 2.792 3.258 ( 2.406 0.000 -0.223) 2.417 3.374 ( -0.903 0.000 3.942) 4.044 3.491 ( 4.476 0.000 -5.051) 6.749 3.576 ( -1.530 0.000 5.625) 5.829 3.677 ( 4.788 0.000 -11.993) 12.913 3.745 ( -1.578 0.000 2.396) 2.869 3.870 ( -6.460 0.000 5.990) 8.809 3.889 ( -4.598 0.000 3.803) 5.967 4.732 ( 5.195 0.000 -1.059) 5.302 4.896 ( -2.024 0.000 1.528) 2.536 6.450 ( 3.775 0.000 5.074) 6.324 6.481 ( 3.943 0.000 -3.102) 5.017 6.711 ( -0.071 0.000 -7.744) 7.744 6.751 ( -4.007 0.000 4.760) 6.222 7.124 ( 1.757 0.000 -6.590) 6.820 7.185 ( -2.585 0.000 11.414) 11.703 7.316 ( 4.737 0.000 -2.175) 5.212 7.337 ( -1.389 0.000 -5.610) 5.780 7.371 ( -4.113 0.000 0.657) 4.165 7.586 ( -6.201 0.000 -2.307) 6.617 7.755 ( -0.572 0.000 -3.966) 4.007 7.876 ( -5.006 0.000 3.695) 6.222 8.102 ( -0.466 0.000 17.384) 17.391 8.177 ( 0.476 0.000 -12.506) 12.515 8.659 ( 2.319 0.000 5.650) 6.107 8.662 ( 3.982 0.000 -5.010) 6.400 9.015 ( 1.033 0.000 -6.691) 6.770 9.024 ( -0.214 0.000 8.323) 8.325 9.045 ( -1.093 0.000 -4.821) 4.943 9.086 ( -3.697 0.000 1.301) 3.919 9.370 ( 0.341 0.000 -2.822) 2.843 9.404 ( -0.451 0.000 2.162) 2.209 9.511 ( 5.026 0.000 0.186) 5.029 9.697 ( -3.573 0.000 1.227) 3.778 ======================= Grid point 236 (121/136) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -3.809 0.000 -1.619) 4.139 1.704 ( 3.809 0.000 1.619) 4.139 2.046 ( 6.047 0.000 -2.579) 6.574 2.046 ( -6.047 0.000 2.579) 6.574 2.383 ( -2.377 0.000 -0.203) 2.385 2.383 ( 2.377 0.000 0.203) 2.385 2.395 ( 1.553 0.000 -2.353) 2.819 2.395 ( -1.553 0.000 2.352) 2.819 2.771 ( 1.184 0.000 -6.326) 6.436 2.771 ( -1.184 0.000 6.326) 6.436 2.902 ( -7.817 0.000 -4.166) 8.858 2.902 ( 7.817 0.000 4.166) 8.858 3.189 ( 5.980 0.000 -3.764) 7.066 3.189 ( -5.980 0.000 3.764) 7.066 3.341 ( 3.442 0.000 -3.334) 4.792 3.341 ( -3.442 0.000 3.334) 4.792 3.549 ( 2.702 0.000 -5.668) 6.279 3.549 ( -2.702 0.000 5.668) 6.279 3.729 ( 1.765 0.000 -6.813) 7.038 3.729 ( -1.765 0.000 6.813) 7.038 3.821 ( 1.827 0.000 -2.118) 2.797 3.821 ( -1.827 0.000 2.118) 2.797 4.831 ( -4.547 0.000 0.909) 4.637 4.831 ( 4.547 0.000 -0.909) 4.637 6.513 ( -0.395 0.000 -5.081) 5.096 6.513 ( 0.395 0.000 5.081) 5.096 6.702 ( 1.758 0.000 -7.766) 7.962 6.702 ( -1.758 0.000 7.766) 7.962 7.158 ( 3.105 0.000 -10.302) 10.760 7.158 ( -3.105 0.000 10.302) 10.760 7.313 ( 1.471 0.000 -3.677) 3.960 7.313 ( -1.471 0.000 3.677) 3.960 7.450 ( -6.533 0.000 -4.340) 7.843 7.450 ( 6.533 0.000 4.340) 7.843 7.780 ( 4.106 0.000 -3.914) 5.672 7.780 ( -4.106 0.000 3.914) 5.672 8.145 ( -0.182 0.000 -15.051) 15.052 8.145 ( 0.182 0.000 15.051) 15.052 8.694 ( 0.347 0.000 -4.840) 4.852 8.694 ( -0.347 0.000 4.840) 4.852 9.028 ( 1.729 0.000 -7.521) 7.717 9.028 ( -1.729 0.000 7.521) 7.717 9.033 ( 1.252 0.000 -3.702) 3.908 9.033 ( -1.252 0.000 3.702) 3.908 9.387 ( 1.536 0.000 -2.279) 2.748 9.387 ( -1.536 0.000 2.279) 2.748 9.613 ( -4.883 0.000 0.165) 4.886 9.613 ( 4.883 0.000 -0.165) 4.886 ======================= Grid point 241 (122/136) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -4.065 3.291 -12.244) 13.314 1.689 ( 4.065 3.291 12.244) 13.314 1.863 ( 0.576 5.646 -14.956) 15.997 1.863 ( -0.576 5.646 14.956) 15.997 2.339 ( 2.073 -0.434 -2.755) 3.475 2.339 ( -2.073 -0.434 2.755) 3.475 2.524 ( 0.321 0.576 -4.722) 4.768 2.524 ( -0.321 0.576 4.722) 4.768 2.614 ( -5.155 -2.646 -3.113) 6.578 2.614 ( 5.155 -2.646 3.113) 6.578 2.911 ( 0.781 -3.928 -5.478) 6.786 2.911 ( -0.781 -3.928 5.478) 6.786 3.171 ( -1.778 0.860 -5.000) 5.376 3.171 ( 1.778 0.860 5.000) 5.376 3.255 ( -0.721 1.265 -5.893) 6.070 3.255 ( 0.721 1.265 5.893) 6.070 3.543 ( -0.781 0.988 -1.678) 2.098 3.543 ( 0.781 0.988 1.678) 2.098 3.785 ( -5.200 0.093 -0.895) 5.277 3.785 ( 5.200 0.093 0.895) 5.277 4.102 ( 0.240 -1.469 -9.936) 10.046 4.102 ( -0.240 -1.469 9.936) 10.046 4.741 ( -4.111 1.063 -3.584) 5.556 4.741 ( 4.111 1.063 3.584) 5.556 6.352 ( 1.581 6.011 -4.203) 7.503 6.352 ( -1.581 6.011 4.203) 7.503 6.832 ( -0.852 2.041 -2.723) 3.508 6.832 ( 0.852 2.041 2.723) 3.508 7.260 ( -3.699 -0.753 -6.446) 7.470 7.260 ( 3.699 -0.753 6.446) 7.470 7.392 ( -4.573 -1.410 -5.441) 7.246 7.392 ( 4.573 -1.410 5.441) 7.246 7.627 ( -1.951 3.564 -6.114) 7.341 7.627 ( 1.951 3.564 6.114) 7.341 7.984 ( -0.217 -0.885 -9.855) 9.897 7.984 ( 0.217 -0.885 9.855) 9.897 8.094 ( -1.392 1.640 -5.750) 6.139 8.094 ( 1.392 1.640 5.750) 6.139 8.491 ( 0.995 0.497 -11.066) 11.121 8.491 ( -0.995 0.497 11.066) 11.121 8.863 ( 2.378 -5.368 -7.774) 9.742 8.863 ( -2.378 -5.368 7.774) 9.742 9.189 ( -2.485 -4.626 -3.236) 6.168 9.189 ( 2.485 -4.626 3.236) 6.168 9.345 ( -3.454 3.357 -2.319) 5.346 9.345 ( 3.454 3.357 2.319) 5.346 9.652 ( -4.144 -0.419 -4.516) 6.143 9.652 ( 4.144 -0.419 4.516) 6.143 ======================= Grid point 243 (123/136) ======================= q-point: ( 0.12 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -3.845 5.675 -12.123) 13.927 1.772 ( -1.477 4.202 11.198) 12.051 1.853 ( 3.518 4.188 -9.514) 10.974 1.908 ( 2.288 2.792 8.960) 9.660 2.318 ( -0.076 1.039 2.577) 2.780 2.374 ( 1.726 -1.458 -1.922) 2.966 2.483 ( -3.225 -1.114 -0.871) 3.522 2.527 ( -0.456 0.362 5.901) 5.930 2.568 ( 1.799 -2.480 -8.276) 8.825 2.713 ( 2.080 -4.035 1.904) 4.923 2.896 ( 1.128 -3.386 1.607) 3.914 2.967 ( 2.531 -3.111 -1.209) 4.189 3.127 ( -0.880 -0.728 -7.672) 7.757 3.166 ( -2.133 -0.517 -0.715) 2.308 3.263 ( 2.852 2.630 4.745) 6.129 3.341 ( 4.878 2.012 -1.187) 5.408 3.490 ( -4.010 0.047 -2.757) 4.866 3.558 ( 0.360 1.206 2.533) 2.829 3.682 ( -3.234 -1.080 -0.307) 3.424 3.860 ( 1.438 3.162 1.263) 3.696 4.059 ( -2.135 0.041 -7.432) 7.733 4.094 ( -3.231 -1.049 10.655) 11.183 4.667 ( -1.818 2.014 -3.733) 4.614 4.830 ( 3.578 -0.464 2.689) 4.500 6.357 ( 0.960 5.197 4.781) 7.126 6.397 ( 3.552 6.438 -3.394) 8.098 6.799 ( -1.555 1.583 -3.295) 3.972 6.843 ( -0.534 2.267 2.237) 3.229 7.162 ( -4.145 -1.098 -4.339) 6.100 7.256 ( -4.716 -3.547 -7.501) 9.544 7.301 ( -1.602 -0.990 4.417) 4.802 7.471 ( 1.702 2.545 -1.807) 3.555 7.582 ( -1.868 5.552 -2.456) 6.352 7.687 ( 1.701 0.729 7.621) 7.842 7.905 ( -3.335 -0.244 -5.318) 6.282 7.955 ( -3.149 1.306 -1.025) 3.560 8.116 ( 0.229 0.512 11.970) 11.983 8.156 ( 3.215 1.063 0.683) 3.455 8.502 ( 2.853 0.140 -10.144) 10.539 8.518 ( 1.302 0.266 8.991) 9.089 8.870 ( 1.092 -5.834 7.526) 9.585 8.909 ( 3.552 -4.913 -8.318) 10.293 9.128 ( -2.474 -4.058 -2.316) 5.287 9.247 ( -0.261 -4.164 2.874) 5.067 9.260 ( -1.572 1.825 -2.776) 3.676 9.411 ( 2.357 2.741 0.628) 3.669 9.544 ( -4.843 1.135 -3.794) 6.257 9.719 ( 1.354 -1.255 3.897) 4.313 ======================= Grid point 244 (124/136) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.527 5.941 -9.173) 11.218 1.726 ( -2.538 5.504 5.732) 8.342 1.929 ( 4.506 1.810 -7.339) 8.800 2.008 ( 4.851 0.176 9.329) 10.516 2.337 ( 0.867 0.928 2.149) 2.496 2.396 ( 0.816 -1.227 -1.503) 2.105 2.424 ( -2.306 -1.631 -1.426) 3.164 2.536 ( -0.352 -0.702 6.254) 6.303 2.601 ( 2.620 -4.244 -7.938) 9.375 2.696 ( -2.792 -3.459 -0.130) 4.447 2.907 ( -2.017 -4.360 2.782) 5.551 2.983 ( -0.831 0.398 -0.992) 1.354 3.098 ( -1.239 -6.811 -0.921) 6.984 3.151 ( 1.354 -3.157 -2.049) 4.000 3.292 ( -0.404 0.904 -1.187) 1.546 3.439 ( 3.715 2.819 -1.997) 5.074 3.452 ( 3.524 4.228 -2.551) 6.067 3.565 ( -0.901 -0.593 3.541) 3.701 3.667 ( 1.911 2.196 -2.501) 3.838 3.854 ( -1.782 5.027 0.888) 5.407 3.992 ( -3.000 1.748 -2.936) 4.547 4.024 ( -5.904 2.179 8.935) 10.928 4.662 ( 2.084 1.167 -2.379) 3.371 4.885 ( 1.075 -1.370 1.977) 2.635 6.412 ( 3.071 4.406 5.422) 7.632 6.469 ( 4.177 6.165 -2.987) 8.024 6.759 ( -1.490 0.829 -3.547) 3.936 6.817 ( -2.487 2.213 1.274) 3.564 7.085 ( -1.797 -2.878 -4.096) 5.319 7.206 ( 1.283 -3.242 -6.235) 7.143 7.247 ( -3.986 -0.039 5.422) 6.729 7.452 ( -2.528 4.150 -6.155) 7.842 7.532 ( -2.355 5.711 -0.046) 6.178 7.682 ( -3.809 -0.236 1.522) 4.109 7.836 ( -2.543 1.980 -3.432) 4.708 7.923 ( -0.914 1.038 5.154) 5.336 8.118 ( -2.511 1.527 15.942) 16.210 8.207 ( 2.190 2.137 -7.258) 7.876 8.562 ( 5.000 -1.249 -6.707) 8.458 8.582 ( 2.826 -0.234 6.794) 7.362 8.913 ( 0.448 -6.069 4.345) 7.477 8.953 ( 2.704 -4.883 -5.130) 7.582 9.078 ( -2.009 -2.379 -2.126) 3.770 9.163 ( -3.971 0.084 -0.354) 3.987 9.304 ( 2.074 -3.857 0.215) 4.385 9.426 ( -0.446 0.032 -4.153) 4.177 9.484 ( -0.097 3.549 1.815) 3.987 9.724 ( -1.571 -1.770 2.822) 3.683 ======================= Grid point 245 (125/136) ======================= q-point: ( 0.38 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 7.588 4.452 -3.446) 9.449 1.739 ( 2.672 4.515 -0.226) 5.251 1.976 ( 1.832 0.102 -4.027) 4.426 2.102 ( 0.771 -0.641 7.684) 7.750 2.354 ( 0.300 0.339 1.793) 1.850 2.385 ( -0.591 -1.164 -2.722) 3.019 2.401 ( -0.234 -0.514 -1.228) 1.352 2.486 ( -6.833 -1.435 4.499) 8.306 2.618 ( 1.540 -4.278 5.111) 6.841 2.678 ( 1.891 -5.343 -8.540) 10.250 2.860 ( -2.081 -3.252 0.732) 3.929 2.926 ( -4.019 -7.414 -2.582) 8.820 3.087 ( 1.320 -2.928 0.149) 3.215 3.181 ( 0.349 -5.383 0.279) 5.402 3.312 ( 3.319 2.224 -3.091) 5.051 3.468 ( -1.221 6.224 1.392) 6.494 3.528 ( 2.829 2.392 -3.377) 5.013 3.548 ( -0.689 -0.799 5.083) 5.191 3.729 ( 4.449 4.035 -4.840) 7.714 3.828 ( 0.628 6.095 -3.557) 7.084 3.911 ( -6.032 4.824 4.402) 8.890 3.935 ( -3.656 3.970 4.906) 7.294 4.728 ( 4.433 -0.404 -0.987) 4.560 4.879 ( -2.010 -1.642 1.323) 2.914 6.494 ( 3.394 3.913 5.881) 7.837 6.537 ( 3.120 5.104 -3.612) 6.988 6.723 ( -1.306 0.151 -1.637) 2.099 6.761 ( -2.795 2.257 -0.862) 3.694 7.085 ( 2.811 -2.853 -5.001) 6.407 7.193 ( -2.853 -0.147 7.392) 7.925 7.247 ( 2.698 -2.981 -2.185) 4.576 7.363 ( -4.322 1.039 -4.660) 6.440 7.494 ( -1.042 7.464 -0.062) 7.537 7.593 ( -3.799 1.988 -2.149) 4.796 7.788 ( -1.115 2.833 -2.574) 3.987 7.879 ( -4.944 0.305 4.712) 6.837 8.135 ( 0.271 3.304 15.983) 16.323 8.211 ( 0.760 3.351 -11.889) 12.376 8.644 ( 3.601 -1.638 -2.298) 4.575 8.654 ( 2.867 -0.584 3.084) 4.251 8.903 ( -1.382 -7.323 2.547) 7.875 8.960 ( -1.430 -5.570 -5.751) 8.133 9.055 ( 0.104 -0.710 3.171) 3.251 9.105 ( -1.724 0.132 -1.573) 2.337 9.342 ( 2.210 -1.848 -1.519) 3.256 9.415 ( -0.478 0.138 -0.878) 1.010 9.517 ( 2.813 0.503 1.101) 3.063 9.676 ( -3.643 -2.007 1.526) 4.431 ======================= Grid point 246 (126/136) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -3.829 3.749 -1.635) 5.603 1.744 ( 3.829 3.749 1.635) 5.603 2.040 ( 6.164 -0.762 -3.290) 7.029 2.040 ( -6.164 -0.762 3.290) 7.029 2.378 ( -1.295 -0.352 -1.244) 1.830 2.378 ( 1.295 -0.352 1.244) 1.830 2.393 ( 1.063 -0.136 -2.303) 2.540 2.393 ( -1.063 -0.136 2.303) 2.540 2.674 ( -0.939 -7.877 -7.359) 10.821 2.674 ( 0.939 -7.877 7.359) 10.821 2.852 ( -0.653 -3.981 -2.944) 4.994 2.852 ( 0.653 -3.981 2.944) 4.994 3.145 ( 3.594 -4.230 -2.150) 5.952 3.145 ( -3.594 -4.230 2.150) 5.952 3.396 ( 0.975 3.879 -4.391) 5.940 3.396 ( -0.975 3.879 4.391) 5.940 3.554 ( 0.632 1.353 -4.769) 4.997 3.554 ( -0.632 1.353 4.769) 4.997 3.807 ( 4.514 5.299 -2.653) 7.449 3.807 ( -4.514 5.299 2.653) 7.449 3.873 ( 3.776 5.622 -6.997) 9.738 3.873 ( -3.776 5.622 6.997) 9.738 4.817 ( -3.752 -1.401 0.526) 4.039 4.817 ( 3.752 -1.401 -0.526) 4.039 6.555 ( -0.618 3.878 -5.672) 6.898 6.555 ( 0.618 3.878 5.672) 6.898 6.715 ( 0.413 1.421 -6.437) 6.605 6.715 ( -0.413 1.421 6.437) 6.605 7.150 ( 3.546 -1.100 -10.411) 11.053 7.150 ( -3.546 -1.100 10.411) 11.053 7.283 ( -2.029 -2.298 -1.999) 3.660 7.283 ( 2.029 -2.298 1.999) 3.660 7.521 ( -2.023 5.978 -4.519) 7.762 7.521 ( 2.023 5.978 4.519) 7.762 7.796 ( 3.065 1.634 -3.623) 5.019 7.796 ( -3.065 1.634 3.623) 5.019 8.183 ( -0.190 3.686 -14.549) 15.010 8.183 ( 0.190 3.686 14.549) 15.010 8.685 ( 0.547 -0.903 -4.851) 4.964 8.685 ( -0.547 -0.903 4.851) 4.964 8.908 ( -0.915 -7.233 -5.572) 9.176 8.908 ( 0.915 -7.233 5.572) 9.176 9.075 ( -0.727 0.199 -3.759) 3.834 9.075 ( 0.727 0.199 3.759) 3.834 9.386 ( 0.655 -0.232 -2.400) 2.499 9.386 ( -0.655 -0.232 2.400) 2.499 9.595 ( -2.835 -1.646 -0.822) 3.379 9.595 ( 2.835 -1.646 0.822) 3.379 ======================= Grid point 251 (127/136) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -2.071 6.951 -8.119) 10.887 1.799 ( 2.071 6.951 8.119) 10.887 1.989 ( 2.046 5.964 -13.011) 14.459 1.989 ( -2.046 5.964 13.011) 14.459 2.318 ( 0.672 -1.914 -0.706) 2.148 2.318 ( -0.672 -1.914 0.706) 2.148 2.528 ( 0.377 -0.337 -4.783) 4.809 2.528 ( -0.377 -0.337 4.783) 4.809 2.547 ( -4.104 -2.844 -4.405) 6.659 2.547 ( 4.104 -2.844 4.405) 6.659 2.817 ( 0.932 -5.163 -3.279) 6.187 2.817 ( -0.932 -5.163 3.279) 6.187 3.164 ( -0.851 -1.332 -1.881) 2.457 3.164 ( 0.851 -1.332 1.881) 2.457 3.321 ( 2.223 4.731 -8.060) 9.606 3.321 ( -2.223 4.731 8.060) 9.606 3.564 ( -1.320 0.847 -2.436) 2.897 3.564 ( 1.320 0.847 2.436) 2.897 3.791 ( -6.558 0.568 -0.746) 6.624 3.791 ( 6.558 0.568 0.746) 6.624 4.062 ( 0.830 -2.205 -7.193) 7.569 4.062 ( -0.830 -2.205 7.193) 7.569 4.769 ( -2.313 1.448 -2.625) 3.786 4.769 ( 2.313 1.448 2.625) 3.786 6.490 ( 2.352 6.735 -4.349) 8.355 6.490 ( -2.352 6.735 4.349) 8.355 6.837 ( -1.283 -2.310 -0.110) 2.644 6.837 ( 1.283 -2.310 0.110) 2.644 7.240 ( -2.843 -0.992 -4.411) 5.341 7.240 ( 2.843 -0.992 4.411) 5.341 7.434 ( -7.176 5.770 -5.084) 10.518 7.434 ( 7.176 5.770 5.084) 10.518 7.690 ( 0.221 2.118 -5.353) 5.761 7.690 ( -0.221 2.118 5.353) 5.761 7.968 ( -0.692 -0.585 -8.119) 8.169 7.968 ( 0.692 -0.585 8.119) 8.169 8.132 ( -0.149 2.106 -4.446) 4.922 8.132 ( 0.149 2.106 4.446) 4.922 8.505 ( 1.220 0.726 -10.880) 10.972 8.505 ( -1.220 0.726 10.880) 10.972 8.738 ( 3.554 -5.886 -8.449) 10.894 8.738 ( -3.554 -5.886 8.449) 10.894 9.076 ( -1.998 -6.096 -3.866) 7.490 9.076 ( 1.998 -6.096 3.866) 7.490 9.414 ( -2.913 3.224 -2.978) 5.268 9.414 ( 2.913 3.224 2.978) 5.268 9.634 ( -2.909 -1.262 -4.556) 5.551 9.634 ( 2.909 -1.262 4.556) 5.551 ======================= Grid point 253 (128/136) ======================= q-point: ( 0.12 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -2.564 9.321 -8.436) 12.830 1.868 ( 2.002 5.206 5.337) 7.720 1.965 ( -3.101 5.115 10.402) 11.999 1.996 ( 2.315 5.713 -9.745) 11.531 2.305 ( -0.059 -2.301 0.363) 2.330 2.345 ( 1.401 -2.099 -0.089) 2.525 2.441 ( -3.589 -2.230 -3.945) 5.781 2.522 ( 0.768 -1.571 -7.689) 7.885 2.537 ( -0.825 0.504 6.229) 6.303 2.627 ( 1.161 -3.537 3.872) 5.371 2.799 ( -0.940 -6.118 1.805) 6.447 2.864 ( 3.418 -6.058 -0.152) 6.958 3.103 ( -4.445 -1.450 -2.762) 5.431 3.144 ( -2.385 -1.740 0.846) 3.071 3.323 ( 1.265 3.100 4.028) 5.238 3.408 ( 4.558 3.324 -3.973) 6.900 3.504 ( -1.943 1.702 -3.911) 4.687 3.580 ( -0.543 0.585 2.177) 2.319 3.704 ( -0.688 3.212 0.219) 3.292 3.904 ( 3.708 1.205 1.628) 4.225 4.043 ( -1.332 -1.645 -0.831) 2.274 4.087 ( 1.381 0.227 2.707) 3.048 4.717 ( -1.859 2.588 -2.584) 4.102 4.819 ( 1.858 -0.633 1.867) 2.709 6.476 ( -0.094 5.800 5.021) 7.672 6.543 ( 3.784 7.186 -4.048) 9.074 6.779 ( -2.985 -3.132 0.796) 4.399 6.889 ( 2.177 -0.323 -0.153) 2.206 7.152 ( -3.750 0.314 -4.699) 6.020 7.210 ( -5.559 -0.589 -6.931) 8.904 7.309 ( -3.403 2.929 0.854) 4.570 7.570 ( 3.953 6.517 -0.490) 7.638 7.645 ( -2.956 -0.254 -1.584) 3.364 7.732 ( 1.734 3.757 3.005) 5.114 7.913 ( -2.238 1.021 -1.545) 2.905 7.966 ( -2.140 -0.218 4.382) 4.882 8.151 ( 0.503 2.470 7.964) 8.353 8.180 ( 3.747 1.430 1.520) 4.289 8.512 ( 2.031 0.869 -9.161) 9.423 8.529 ( 1.035 0.968 6.318) 6.475 8.722 ( 0.427 -7.551 8.737) 11.556 8.796 ( 3.686 -5.384 -8.907) 11.041 9.029 ( -1.435 -5.137 -2.503) 5.892 9.124 ( 1.208 -6.823 3.458) 7.744 9.325 ( -4.147 3.453 -3.659) 6.520 9.454 ( -0.042 1.266 -1.220) 1.759 9.565 ( -2.315 0.857 -1.826) 3.070 9.682 ( 0.570 -2.176 4.255) 4.813 ======================= Grid point 254 (129/136) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.648 9.273 -6.050) 11.091 1.862 ( -2.569 6.831 3.804) 8.230 1.969 ( 1.637 2.137 0.408) 2.722 2.043 ( 3.004 2.548 0.192) 3.944 2.318 ( 1.384 -2.524 -0.876) 3.009 2.370 ( 0.994 -2.115 0.339) 2.361 2.385 ( -1.442 -1.420 -2.968) 3.592 2.509 ( -0.978 -2.105 -5.277) 5.765 2.537 ( -0.022 -0.978 3.060) 3.213 2.621 ( -2.034 -3.263 0.709) 3.910 2.763 ( -3.500 -8.264 3.318) 9.569 2.913 ( -2.149 -9.863 1.577) 10.217 2.996 ( -2.000 0.898 -1.932) 2.923 3.107 ( -1.058 -2.216 0.202) 2.464 3.328 ( -0.158 2.522 -1.463) 2.920 3.468 ( 3.070 -0.239 0.761) 3.171 3.538 ( 3.787 3.180 -2.858) 5.711 3.569 ( -0.621 0.642 2.025) 2.213 3.747 ( 4.182 5.550 -1.795) 7.178 3.952 ( 0.518 5.168 2.691) 5.850 4.012 ( -0.683 -0.202 -1.164) 1.365 4.105 ( -0.957 4.265 3.476) 5.585 4.692 ( 0.170 1.715 -1.910) 2.573 4.846 ( 0.222 -2.363 1.300) 2.706 6.513 ( 2.275 4.797 6.008) 8.018 6.612 ( 3.823 7.139 -4.197) 9.121 6.730 ( -1.920 -2.639 1.200) 3.477 6.912 ( -0.451 3.629 0.907) 3.768 7.051 ( -3.934 1.254 -8.381) 9.343 7.142 ( 1.265 -2.459 -5.926) 6.539 7.240 ( -3.805 -0.364 3.009) 4.865 7.500 ( -7.376 -1.486 -4.619) 8.829 7.649 ( 1.680 6.615 -2.500) 7.269 7.728 ( -2.861 4.164 1.826) 5.372 7.881 ( -1.330 2.215 0.314) 2.602 7.938 ( -2.178 0.319 7.113) 7.446 8.179 ( 0.544 4.033 11.123) 11.844 8.269 ( 4.276 3.510 -1.890) 5.846 8.537 ( 2.833 -0.422 -8.272) 8.754 8.579 ( 2.262 0.032 6.358) 6.749 8.771 ( 0.725 -7.057 5.609) 9.043 8.832 ( 2.319 -6.084 -5.853) 8.755 9.008 ( -0.317 -4.041 -2.252) 4.637 9.115 ( -2.703 -5.182 1.404) 6.011 9.272 ( 0.529 1.127 -2.817) 3.080 9.419 ( -1.499 -0.963 -4.134) 4.501 9.541 ( -0.883 2.085 1.790) 2.886 9.676 ( -2.048 -2.662 3.323) 4.724 ======================= Grid point 255 (130/136) ======================= q-point: ( 0.38 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 5.365 6.803 -1.979) 8.887 1.853 ( 1.407 5.636 -0.341) 5.819 1.978 ( -0.450 0.482 -2.575) 2.658 2.083 ( -1.204 -1.703 5.901) 6.259 2.346 ( 0.970 -1.107 0.357) 1.514 2.360 ( 0.442 -0.640 -4.197) 4.268 2.390 ( 0.704 -1.100 0.577) 1.428 2.454 ( -3.955 -1.349 1.630) 4.485 2.537 ( -0.370 -4.650 -4.167) 6.254 2.555 ( -3.199 -3.497 -0.111) 4.741 2.713 ( -0.753 -7.505 0.583) 7.565 2.812 ( -5.124 -6.922 3.015) 9.125 3.026 ( 2.408 -1.935 -1.235) 3.327 3.093 ( -0.943 -3.118 0.437) 3.286 3.357 ( 3.772 2.409 -2.693) 5.224 3.511 ( -0.429 -1.258 2.514) 2.844 3.562 ( 0.439 2.316 1.100) 2.601 3.593 ( 1.223 1.603 -0.641) 2.116 3.835 ( 4.961 6.307 -3.013) 8.572 3.953 ( 0.405 6.087 -0.099) 6.101 4.020 ( 0.272 3.889 2.715) 4.751 4.060 ( -3.708 7.619 1.490) 8.603 4.717 ( 2.444 -0.562 -0.826) 2.640 4.830 ( -2.009 -3.041 0.749) 3.721 6.588 ( 3.226 4.586 6.826) 8.834 6.665 ( 2.186 6.644 -5.412) 8.843 6.715 ( 0.241 -0.381 2.751) 2.787 6.855 ( -4.350 6.294 -2.614) 8.086 7.019 ( 2.590 -3.530 -6.295) 7.667 7.178 ( -1.123 -0.842 2.850) 3.177 7.194 ( 1.288 -2.828 -0.640) 3.173 7.330 ( -7.491 -3.655 -3.498) 9.039 7.648 ( -1.180 7.084 -1.197) 7.280 7.681 ( -0.817 5.157 -1.654) 5.477 7.855 ( -1.148 3.224 -0.066) 3.423 7.891 ( -3.914 0.911 5.821) 7.073 8.235 ( 2.005 5.914 10.914) 12.574 8.318 ( 1.529 6.854 -7.331) 10.152 8.589 ( 3.621 -3.466 -2.764) 5.724 8.644 ( 2.514 -0.146 4.844) 5.460 8.751 ( -2.133 -6.669 0.215) 7.005 8.838 ( -1.943 -5.401 -3.151) 6.548 9.008 ( 0.849 -3.671 2.336) 4.433 9.069 ( -1.270 -3.744 -2.659) 4.764 9.312 ( 3.258 -0.689 -1.334) 3.587 9.400 ( 0.096 -1.485 -2.508) 2.916 9.527 ( -0.553 0.447 1.666) 1.811 9.623 ( -3.700 -2.798 2.105) 5.094 ======================= Grid point 256 (131/136) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -3.987 5.456 -0.931) 6.822 1.844 ( 3.987 5.456 0.931) 6.822 2.006 ( 3.246 -2.484 -2.821) 4.966 2.006 ( -3.246 -2.484 2.821) 4.966 2.368 ( 0.102 -0.753 -3.981) 4.053 2.368 ( -0.102 -0.753 3.981) 4.053 2.396 ( 0.782 0.495 -3.626) 3.742 2.396 ( -0.782 0.495 3.626) 3.742 2.523 ( 1.426 -5.538 -6.488) 8.649 2.523 ( -1.426 -5.538 6.488) 8.649 2.738 ( 3.005 -6.749 -3.485) 8.168 2.738 ( -3.005 -6.749 3.485) 8.168 3.066 ( 0.758 -2.813 -0.866) 3.039 3.066 ( -0.758 -2.813 0.866) 3.039 3.448 ( 2.243 1.520 -2.986) 4.032 3.448 ( -2.243 1.520 2.986) 4.032 3.589 ( -0.898 1.117 -1.360) 1.975 3.589 ( 0.898 1.117 1.360) 1.975 3.928 ( 3.233 6.244 -4.731) 8.475 3.928 ( -3.233 6.244 4.731) 8.475 4.019 ( 0.773 7.261 -4.440) 8.546 4.019 ( -0.773 7.261 4.440) 8.546 4.776 ( -2.595 -2.451 0.004) 3.570 4.776 ( 2.595 -2.451 -0.004) 3.570 6.655 ( -1.417 5.220 -6.514) 8.467 6.655 ( 1.417 5.220 6.514) 8.467 6.764 ( -3.137 3.424 -4.284) 6.318 6.764 ( 3.137 3.424 4.284) 6.318 7.100 ( 3.339 -3.931 -7.408) 9.027 7.100 ( -3.339 -3.931 7.408) 9.027 7.234 ( -1.147 -2.142 0.298) 2.448 7.234 ( 1.147 -2.142 -0.298) 2.448 7.652 ( -0.466 5.804 -3.470) 6.778 7.652 ( 0.466 5.804 3.470) 6.778 7.846 ( 0.937 3.004 -2.273) 3.882 7.846 ( -0.937 3.004 2.273) 3.882 8.297 ( -0.431 7.113 -12.330) 14.241 8.297 ( 0.431 7.113 12.330) 14.241 8.653 ( 0.829 -2.703 -4.486) 5.302 8.653 ( -0.829 -2.703 4.486) 5.302 8.764 ( -1.369 -5.362 -7.044) 8.958 8.764 ( 1.369 -5.362 7.044) 8.958 9.040 ( -0.869 -3.611 -5.085) 6.297 9.040 ( 0.869 -3.611 5.085) 6.297 9.375 ( -0.917 -0.764 -1.908) 2.250 9.375 ( 0.917 -0.764 1.908) 2.250 9.553 ( -0.859 -2.106 -1.441) 2.693 9.553 ( 0.859 -2.106 1.441) 2.693 ======================= Grid point 261 (132/136) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -0.672 5.381 -3.510) 6.460 1.940 ( 0.672 5.381 3.510) 6.460 2.080 ( 1.015 2.202 -5.186) 5.725 2.080 ( -1.015 2.202 5.186) 5.725 2.259 ( -0.845 -2.863 -0.011) 2.985 2.259 ( 0.845 -2.863 0.011) 2.985 2.506 ( -1.478 -0.497 -3.587) 3.911 2.506 ( 1.478 -0.497 3.587) 3.911 2.540 ( 0.008 0.931 -2.608) 2.769 2.540 ( -0.008 0.931 2.608) 2.769 2.710 ( -0.155 -4.235 -1.912) 4.649 2.710 ( 0.155 -4.235 1.912) 4.649 3.138 ( -0.341 -0.833 -0.637) 1.103 3.138 ( 0.341 -0.833 0.637) 1.103 3.409 ( 1.388 2.751 -2.546) 3.997 3.409 ( -1.388 2.751 2.546) 3.997 3.574 ( -1.212 0.144 -1.542) 1.966 3.574 ( 1.212 0.144 1.542) 1.966 3.806 ( -2.952 0.646 -0.399) 3.048 3.806 ( 2.952 0.646 0.399) 3.048 4.022 ( 0.405 -1.294 -2.664) 2.989 4.022 ( -0.405 -1.294 2.664) 2.989 4.792 ( -0.702 0.655 -0.946) 1.348 4.792 ( 0.702 0.655 0.946) 1.348 6.621 ( 2.657 5.824 -3.652) 7.370 6.621 ( -2.657 5.824 3.652) 7.370 6.750 ( 2.999 -5.255 -2.733) 6.639 6.750 ( -2.999 -5.255 2.733) 6.639 7.225 ( -0.977 -0.370 -1.634) 1.939 7.225 ( 0.977 -0.370 1.634) 1.939 7.581 ( -3.033 6.895 -6.113) 9.701 7.581 ( 3.033 6.895 6.113) 9.701 7.691 ( -0.652 -2.413 -5.580) 6.114 7.691 ( 0.652 -2.413 5.580) 6.114 7.962 ( -0.263 0.005 -2.789) 2.801 7.962 ( 0.263 0.005 2.789) 2.801 8.175 ( 0.599 1.522 -2.630) 3.097 8.175 ( -0.599 1.522 2.630) 3.097 8.508 ( 0.859 -0.499 -5.875) 5.959 8.508 ( -0.859 -0.499 5.875) 5.959 8.660 ( 2.575 -1.288 -4.558) 5.391 8.660 ( -2.575 -1.288 4.558) 5.391 8.963 ( -0.897 -3.795 -2.353) 4.554 8.963 ( 0.897 -3.795 2.353) 4.554 9.471 ( -1.485 1.896 -2.154) 3.231 9.471 ( 1.485 1.896 2.154) 3.231 9.605 ( -1.400 -1.229 -2.720) 3.297 9.605 ( 1.400 -1.229 2.720) 3.297 ======================= Grid point 263 (133/136) ======================= q-point: ( 0.12 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -1.148 7.605 -5.235) 9.304 1.966 ( 0.925 2.799 1.984) 3.554 2.054 ( -2.626 3.367 5.386) 6.873 2.079 ( -0.364 1.147 -4.635) 4.788 2.242 ( 0.008 -2.324 -1.464) 2.747 2.275 ( 1.135 -4.103 -0.899) 4.351 2.442 ( -2.179 2.594 -5.759) 6.681 2.497 ( -0.438 -1.600 -6.008) 6.233 2.553 ( -0.133 1.183 5.889) 6.008 2.581 ( 0.499 -1.247 5.934) 6.084 2.685 ( -1.997 -2.940 0.914) 3.670 2.732 ( 0.808 -5.949 0.820) 6.059 3.086 ( -4.003 0.028 -0.576) 4.044 3.105 ( -2.980 -1.675 0.598) 3.470 3.385 ( -0.060 2.762 1.901) 3.354 3.428 ( -0.097 -1.078 -0.510) 1.197 3.557 ( 0.375 2.272 -1.620) 2.816 3.581 ( -1.022 -0.378 1.053) 1.515 3.798 ( 2.690 5.340 -1.353) 6.131 3.893 ( 4.908 -3.015 -0.954) 5.839 4.033 ( 1.255 1.445 1.863) 2.671 4.074 ( 3.741 -1.640 1.126) 4.236 4.767 ( -1.431 2.114 -1.073) 2.770 4.801 ( -0.080 -1.215 0.441) 1.295 6.587 ( -1.134 5.029 3.549) 6.259 6.674 ( 1.745 1.445 -1.762) 2.870 6.704 ( -0.239 0.393 0.202) 0.503 6.817 ( 3.813 -5.522 -3.173) 7.423 7.164 ( -3.198 1.015 -3.184) 4.625 7.192 ( -3.513 -1.404 -1.461) 4.056 7.442 ( -7.032 8.114 -2.416) 11.006 7.583 ( -6.307 -4.989 -2.360) 8.381 7.710 ( 5.013 5.610 -0.667) 7.553 7.779 ( 3.487 -0.414 -0.306) 3.524 7.939 ( -1.457 1.220 1.457) 2.395 7.957 ( -1.448 -0.508 4.978) 5.210 8.195 ( 1.300 1.877 6.920) 7.287 8.213 ( 3.114 0.834 3.512) 4.767 8.523 ( 1.842 0.359 1.135) 2.193 8.549 ( 3.268 -1.343 0.960) 3.661 8.626 ( -1.041 1.207 0.719) 1.748 8.700 ( 2.580 -4.071 -8.404) 9.688 8.946 ( -0.302 -1.783 -0.450) 1.864 8.988 ( 0.589 -5.408 3.024) 6.224 9.397 ( -4.025 3.335 -4.165) 6.684 9.452 ( -2.898 -1.635 -3.779) 5.035 9.590 ( -0.211 1.752 1.763) 2.495 9.634 ( 0.159 -2.381 3.775) 4.466 ======================= Grid point 264 (134/136) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -0.764 8.793 -4.786) 10.040 1.983 ( -0.899 3.544 2.388) 4.367 1.993 ( -2.388 -0.025 -0.662) 2.479 2.060 ( -1.312 -1.784 2.000) 2.984 2.270 ( 2.848 -1.122 -2.201) 3.770 2.302 ( 1.786 -3.824 -1.636) 4.526 2.403 ( -0.424 3.606 -5.544) 6.627 2.472 ( -0.233 -2.149 -8.098) 8.381 2.541 ( -2.815 1.596 6.160) 6.959 2.578 ( -2.031 -0.984 4.148) 4.722 2.635 ( -2.982 -2.642 3.323) 5.188 2.713 ( -3.229 -8.680 1.457) 9.375 3.020 ( -1.518 1.440 -0.733) 2.217 3.058 ( -1.457 -2.282 0.246) 2.719 3.388 ( 0.196 3.120 0.227) 3.134 3.444 ( 1.423 -2.021 0.974) 2.657 3.571 ( 1.037 0.419 -0.069) 1.120 3.575 ( 0.955 0.020 0.420) 1.043 3.874 ( 4.611 6.066 -2.280) 7.953 3.974 ( 3.133 -3.310 -1.569) 4.821 4.073 ( 2.110 5.504 2.708) 6.487 4.145 ( 2.252 -0.908 2.390) 3.407 4.735 ( -1.295 2.472 -1.033) 2.976 4.791 ( -1.003 -2.817 0.189) 2.996 6.599 ( 1.468 3.658 4.324) 5.850 6.668 ( -0.080 -3.172 2.501) 4.040 6.755 ( 3.628 6.702 -4.565) 8.884 6.880 ( 3.078 -4.934 -3.627) 6.854 7.113 ( -2.907 0.937 -3.222) 4.439 7.122 ( -0.802 0.430 -1.302) 1.589 7.283 ( -7.742 5.749 -1.693) 9.791 7.417 ( -9.107 -5.872 -3.620) 11.425 7.767 ( 1.382 3.912 -3.039) 5.143 7.797 ( -1.409 1.374 -0.430) 2.015 7.918 ( -1.172 1.508 2.871) 3.448 7.941 ( -1.692 -0.234 5.972) 6.211 8.259 ( 3.053 3.461 8.395) 9.580 8.309 ( 4.965 -0.548 5.478) 7.414 8.572 ( 2.370 2.691 -7.400) 8.223 8.606 ( 1.710 3.801 1.964) 4.607 8.646 ( 2.168 -4.387 4.511) 6.656 8.719 ( 1.637 -5.165 -5.438) 7.677 8.942 ( -0.286 -1.245 -1.041) 1.648 8.990 ( -0.949 -5.538 1.159) 5.737 9.321 ( -1.776 3.018 -3.749) 5.130 9.382 ( -2.211 -2.582 -4.163) 5.375 9.579 ( -1.621 1.862 2.436) 3.469 9.623 ( -2.132 -2.395 3.221) 4.545 ======================= Grid point 265 (135/136) ======================= q-point: ( 0.38 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 1.855 6.684 -0.986) 7.006 1.941 ( -0.676 2.755 -0.091) 2.838 1.986 ( -0.546 -0.906 -2.205) 2.445 2.020 ( -3.569 -3.969 3.446) 6.353 2.322 ( 2.085 -0.720 0.229) 2.218 2.338 ( 1.974 -2.455 -0.968) 3.296 2.390 ( 0.517 3.456 -5.866) 6.828 2.439 ( -1.683 -0.614 -4.780) 5.105 2.482 ( -2.451 0.210 -0.327) 2.482 2.528 ( -3.769 -1.183 3.878) 5.536 2.598 ( -1.139 -2.880 2.825) 4.192 2.649 ( -2.971 -7.016 2.835) 8.130 3.016 ( 0.680 0.555 -0.657) 1.096 3.042 ( -0.562 -1.890 0.240) 1.987 3.415 ( 2.667 3.114 -0.733) 4.165 3.475 ( 1.181 -2.425 1.368) 3.024 3.588 ( 0.404 0.779 0.446) 0.984 3.601 ( 0.632 -0.414 0.111) 0.764 3.960 ( 4.510 4.965 -2.789) 7.264 4.019 ( 1.892 -0.407 -0.502) 1.999 4.118 ( 1.337 5.064 2.466) 5.789 4.163 ( -0.983 1.506 2.201) 2.842 4.717 ( -0.150 1.001 -0.649) 1.202 4.763 ( -1.759 -3.159 -0.062) 3.616 6.666 ( 3.687 2.798 5.593) 7.260 6.702 ( 2.593 -0.860 3.448) 4.399 6.804 ( 2.424 6.485 -5.496) 8.840 6.924 ( 2.660 -4.591 -3.992) 6.640 7.002 ( -7.056 5.979 -4.567) 10.315 7.116 ( -3.334 -4.715 -0.318) 5.784 7.181 ( -0.751 1.639 0.672) 1.924 7.245 ( -5.281 -4.105 -1.424) 6.839 7.752 ( -2.120 2.792 0.321) 3.521 7.763 ( -0.969 1.984 -2.456) 3.302 7.905 ( -0.773 1.647 2.281) 2.917 7.916 ( -1.525 0.887 2.449) 3.018 8.351 ( 3.843 4.810 8.250) 10.294 8.420 ( 4.417 -0.331 3.790) 5.830 8.555 ( -0.877 2.589 -8.398) 8.831 8.638 ( -2.149 -4.446 -5.895) 7.690 8.673 ( 2.852 3.536 6.462) 7.899 8.757 ( 0.828 -3.147 2.037) 3.839 8.928 ( -0.342 -2.537 -0.226) 2.570 8.965 ( -0.981 -5.202 -2.831) 6.003 9.320 ( 2.066 1.372 -1.833) 3.084 9.360 ( 0.684 -2.191 -2.454) 3.361 9.540 ( -2.511 0.961 1.847) 3.262 9.571 ( -3.431 -2.095 2.217) 4.591 ======================= Grid point 266 (136/136) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -3.037 2.245 -0.583) 3.821 1.937 ( 3.037 2.245 0.583) 3.821 1.960 ( -0.876 -0.872 -1.473) 1.923 1.960 ( 0.876 -0.872 1.473) 1.923 2.350 ( -0.307 -0.720 -2.806) 2.913 2.350 ( 0.307 -0.720 2.806) 2.913 2.400 ( -0.241 -0.115 -1.606) 1.629 2.400 ( 0.241 -0.115 1.606) 1.629 2.473 ( 2.093 0.235 -3.873) 4.408 2.473 ( -2.093 0.235 3.873) 4.408 2.608 ( 1.657 -4.724 -1.343) 5.184 2.608 ( -1.657 -4.724 1.343) 5.184 3.030 ( 0.405 -0.808 -0.464) 1.016 3.030 ( -0.405 -0.808 0.464) 1.016 3.472 ( 1.598 0.716 -1.257) 2.155 3.472 ( -1.598 0.716 1.257) 2.155 3.595 ( -0.680 -0.138 -0.109) 0.703 3.595 ( 0.680 -0.138 0.109) 0.703 4.028 ( 1.804 2.718 -2.495) 4.107 4.028 ( -1.804 2.718 2.495) 4.107 4.139 ( -0.815 3.570 -0.958) 3.785 4.139 ( 0.815 3.570 0.958) 3.785 4.729 ( -1.094 -1.582 -0.130) 1.928 4.729 ( 1.094 -1.582 0.130) 1.928 6.740 ( -0.995 2.367 -3.241) 4.135 6.740 ( 0.995 2.367 3.241) 4.135 6.858 ( -5.234 5.410 -0.819) 7.572 6.858 ( 5.234 5.410 0.819) 7.572 6.994 ( 1.365 -5.761 -2.689) 6.502 6.994 ( -1.365 -5.761 2.689) 6.502 7.202 ( 0.425 -0.917 -0.924) 1.369 7.202 ( -0.425 -0.917 0.924) 1.369 7.736 ( -0.393 2.127 -1.109) 2.431 7.736 ( 0.393 2.127 1.109) 2.431 7.901 ( -0.111 1.752 -0.568) 1.845 7.901 ( 0.111 1.752 0.568) 1.845 8.441 ( -2.143 5.688 -8.178) 10.189 8.441 ( 2.143 5.688 8.178) 10.189 8.565 ( -2.669 -4.533 -5.335) 7.493 8.565 ( 2.669 -4.533 5.335) 7.493 8.736 ( -1.263 1.752 -5.091) 5.530 8.736 ( 1.263 1.752 5.091) 5.530 8.940 ( -0.444 -4.899 -4.671) 6.784 8.940 ( 0.444 -4.899 4.671) 6.784 9.362 ( -0.737 -0.362 -0.709) 1.085 9.362 ( 0.737 -0.362 0.709) 1.085 9.519 ( -0.131 -0.958 -0.694) 1.190 9.519 ( 0.131 -0.958 0.694) 1.190 =================== 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 3/21504 10.0 1309.804 1412.784 1173.009 0.000 61.916 0.000 3/21504 20.0 130.445 196.063 129.221 0.000 1.259 0.000 3/21504 30.0 44.451 71.090 48.272 0.000 -0.057 0.000 3/21504 40.0 24.498 39.901 27.858 0.000 -0.169 0.000 3/21504 50.0 16.521 27.006 19.166 0.000 -0.165 0.000 3/21504 60.0 12.306 20.061 14.407 0.000 -0.136 0.000 3/21504 70.0 9.726 15.773 11.447 0.000 -0.107 0.000 3/21504 80.0 8.004 12.904 9.457 0.000 -0.083 0.000 3/21504 90.0 6.784 10.877 8.045 0.000 -0.065 0.000 3/21504 100.0 5.882 9.383 6.998 0.000 -0.051 0.000 3/21504 110.0 5.191 8.245 6.196 0.000 -0.040 0.000 3/21504 120.0 4.647 7.352 5.564 0.000 -0.032 0.000 3/21504 130.0 4.207 6.635 5.052 0.000 -0.026 0.000 3/21504 140.0 3.846 6.048 4.630 0.000 -0.021 0.000 3/21504 150.0 3.543 5.558 4.276 0.000 -0.017 0.000 3/21504 160.0 3.285 5.144 3.974 0.000 -0.014 0.000 3/21504 170.0 3.064 4.789 3.714 0.000 -0.012 0.000 3/21504 180.0 2.872 4.481 3.487 0.000 -0.010 0.000 3/21504 190.0 2.703 4.212 3.287 0.000 -0.008 0.000 3/21504 200.0 2.553 3.974 3.110 0.000 -0.007 0.000 3/21504 210.0 2.420 3.762 2.952 0.000 -0.006 0.000 3/21504 220.0 2.300 3.573 2.809 0.000 -0.005 0.000 3/21504 230.0 2.192 3.402 2.680 0.000 -0.004 0.000 3/21504 240.0 2.094 3.248 2.563 0.000 -0.004 0.000 3/21504 250.0 2.004 3.107 2.456 0.000 -0.003 0.000 3/21504 260.0 1.922 2.978 2.357 0.000 -0.003 0.000 3/21504 270.0 1.847 2.860 2.267 0.000 -0.002 0.000 3/21504 280.0 1.777 2.751 2.183 0.000 -0.002 0.000 3/21504 290.0 1.713 2.650 2.105 0.000 -0.002 0.000 3/21504 300.0 1.653 2.557 2.033 0.000 -0.001 0.000 3/21504 310.0 1.598 2.470 1.966 0.000 -0.001 0.000 3/21504 320.0 1.546 2.388 1.903 0.000 -0.001 0.000 3/21504 330.0 1.497 2.313 1.844 0.000 -0.001 0.000 3/21504 340.0 1.451 2.242 1.788 0.000 -0.001 0.000 3/21504 350.0 1.408 2.175 1.736 0.000 -0.000 0.000 3/21504 360.0 1.368 2.112 1.687 0.000 -0.000 0.000 3/21504 370.0 1.330 2.053 1.641 0.000 -0.000 0.000 3/21504 380.0 1.294 1.997 1.597 0.000 -0.000 0.000 3/21504 390.0 1.260 1.944 1.555 0.000 -0.000 0.000 3/21504 400.0 1.228 1.894 1.516 0.000 -0.000 0.000 3/21504 410.0 1.197 1.846 1.479 0.000 0.000 0.000 3/21504 420.0 1.168 1.801 1.443 0.000 0.000 0.000 3/21504 430.0 1.140 1.758 1.409 0.000 0.000 0.000 3/21504 440.0 1.114 1.717 1.377 0.000 0.000 0.000 3/21504 450.0 1.089 1.678 1.346 0.000 0.000 0.000 3/21504 460.0 1.064 1.641 1.316 0.000 0.000 0.000 3/21504 470.0 1.041 1.605 1.288 0.000 0.000 0.000 3/21504 480.0 1.019 1.571 1.261 0.000 0.000 0.000 3/21504 490.0 0.998 1.538 1.235 0.000 0.000 0.000 3/21504 500.0 0.978 1.507 1.210 0.000 0.000 0.000 3/21504 510.0 0.958 1.476 1.186 0.000 0.000 0.000 3/21504 520.0 0.940 1.448 1.163 0.000 0.000 0.000 3/21504 530.0 0.922 1.420 1.141 0.000 0.000 0.000 3/21504 540.0 0.905 1.393 1.120 0.000 0.000 0.000 3/21504 550.0 0.888 1.367 1.099 0.000 0.000 0.000 3/21504 560.0 0.872 1.343 1.080 0.000 0.000 0.000 3/21504 570.0 0.856 1.319 1.061 0.000 0.000 0.000 3/21504 580.0 0.841 1.296 1.042 0.000 0.000 0.000 3/21504 590.0 0.827 1.273 1.025 0.000 0.000 0.000 3/21504 600.0 0.813 1.252 1.007 0.000 0.000 0.000 3/21504 610.0 0.800 1.231 0.991 0.000 0.000 0.000 3/21504 620.0 0.787 1.211 0.975 0.000 0.001 0.000 3/21504 630.0 0.774 1.192 0.959 0.000 0.001 0.000 3/21504 640.0 0.762 1.173 0.944 0.000 0.001 0.000 3/21504 650.0 0.750 1.154 0.930 0.000 0.001 0.000 3/21504 660.0 0.739 1.137 0.916 0.000 0.001 0.000 3/21504 670.0 0.727 1.120 0.902 0.000 0.001 0.000 3/21504 680.0 0.717 1.103 0.889 0.000 0.001 0.000 3/21504 690.0 0.706 1.087 0.876 0.000 0.001 0.000 3/21504 700.0 0.696 1.071 0.863 0.000 0.001 0.000 3/21504 710.0 0.686 1.056 0.851 0.000 0.001 0.000 3/21504 720.0 0.677 1.041 0.839 0.000 0.001 0.000 3/21504 730.0 0.667 1.027 0.828 0.000 0.001 0.000 3/21504 740.0 0.658 1.013 0.816 0.000 0.001 0.000 3/21504 750.0 0.649 0.999 0.806 0.000 0.001 0.000 3/21504 760.0 0.641 0.986 0.795 0.000 0.001 0.000 3/21504 770.0 0.632 0.973 0.785 0.000 0.001 0.000 3/21504 780.0 0.624 0.960 0.774 0.000 0.001 0.000 3/21504 790.0 0.616 0.948 0.765 0.000 0.001 0.000 3/21504 800.0 0.609 0.936 0.755 0.000 0.001 0.000 3/21504 810.0 0.601 0.925 0.746 0.000 0.001 0.000 3/21504 820.0 0.594 0.913 0.737 0.000 0.001 0.000 3/21504 830.0 0.587 0.902 0.728 0.000 0.001 0.000 3/21504 840.0 0.580 0.891 0.719 0.000 0.001 0.000 3/21504 850.0 0.573 0.881 0.711 0.000 0.001 0.000 3/21504 860.0 0.566 0.871 0.702 0.000 0.000 0.000 3/21504 870.0 0.559 0.861 0.694 0.000 0.000 0.000 3/21504 880.0 0.553 0.851 0.686 0.000 0.000 0.000 3/21504 890.0 0.547 0.841 0.679 0.000 0.000 0.000 3/21504 900.0 0.541 0.832 0.671 0.000 0.000 0.000 3/21504 910.0 0.535 0.823 0.664 0.000 0.000 0.000 3/21504 920.0 0.529 0.814 0.657 0.000 0.000 0.000 3/21504 930.0 0.523 0.805 0.649 0.000 0.000 0.000 3/21504 940.0 0.518 0.796 0.643 0.000 0.000 0.000 3/21504 950.0 0.512 0.788 0.636 0.000 0.000 0.000 3/21504 960.0 0.507 0.779 0.629 0.000 0.000 0.000 3/21504 970.0 0.502 0.771 0.623 0.000 0.000 0.000 3/21504 980.0 0.496 0.764 0.616 0.000 0.000 0.000 3/21504 990.0 0.491 0.756 0.610 0.000 0.000 0.000 3/21504 1000.0 0.487 0.748 0.604 0.000 0.000 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m878.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:03:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|