----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:15:48]------------------------- Compiled with OpenMP support (max 48 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: [4 2 1] 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 3.459464920048138 0.000000000000000 0.000000000000000 b 0.000000000000000 5.264387170000001 0.000000000000000 c -0.470249288308500 0.000000000000000 10.412193629400113 Atomic positions (fractional): *1 C 0.61396954702653 0.45679539534849 0.56323517213555 12.011 2 C 0.38603045297347 0.95679539534849 0.93676482786445 12.011 3 C 0.38603045297347 0.54320460465151 0.43676482786445 12.011 4 C 0.61396954702653 0.04320460465151 0.06323517213555 12.011 *5 O 0.66621202349864 0.87934751206544 0.15116199290602 15.999 6 O 0.33378797650136 0.37934751206544 0.34883800709398 15.999 7 O 0.33378797650136 0.12065248793456 0.84883800709398 15.999 8 O 0.66621202349864 0.62065248793456 0.65116199290602 15.999 *9 O 0.72897310302743 0.27107933760503 0.06806952650499 15.999 10 O 0.27102689697257 0.77107933760503 0.43193047349501 15.999 11 O 0.27102689697257 0.72892066239497 0.93193047349501 15.999 12 O 0.72897310302743 0.22892066239497 0.56806952650499 15.999 *13 Na 0.80064675075697 0.44352413858972 0.85573304800677 22.990 14 Na 0.19935324924303 0.94352413858972 0.64426695199323 22.990 15 Na 0.19935324924303 0.55647586141028 0.14426695199323 22.990 16 Na 0.80064675075697 0.05647586141028 0.35573304800677 22.990 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.459464920048138 0.000000000000000 0.000000000000000 b 0.000000000000000 5.264387170000001 0.000000000000000 c -0.470249288308500 0.000000000000000 10.412193629400113 Atomic positions (fractional): *1 C 0.61396954702653 0.45679539534849 0.56323517213555 12.011 > 1 2 C 0.38603045297347 0.95679539534849 0.93676482786445 12.011 > 2 3 C 0.38603045297347 0.54320460465151 0.43676482786445 12.011 > 3 4 C 0.61396954702653 0.04320460465151 0.06323517213555 12.011 > 4 *5 O 0.66621202349864 0.87934751206544 0.15116199290602 15.999 > 5 6 O 0.33378797650136 0.37934751206544 0.34883800709398 15.999 > 6 7 O 0.33378797650136 0.12065248793456 0.84883800709398 15.999 > 7 8 O 0.66621202349864 0.62065248793456 0.65116199290602 15.999 > 8 *9 O 0.72897310302743 0.27107933760503 0.06806952650499 15.999 > 9 10 O 0.27102689697257 0.77107933760503 0.43193047349501 15.999 > 10 11 O 0.27102689697257 0.72892066239497 0.93193047349501 15.999 > 11 12 O 0.72897310302743 0.22892066239497 0.56806952650499 15.999 > 12 *13 Na 0.80064675075697 0.44352413858972 0.85573304800677 22.990 > 13 14 Na 0.19935324924303 0.94352413858972 0.64426695199323 22.990 > 14 15 Na 0.19935324924303 0.55647586141028 0.14426695199323 22.990 > 15 16 Na 0.80064675075697 0.05647586141028 0.35573304800677 22.990 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.837859680192553 0.000000000000000 0.000000000000000 b 0.000000000000000 10.528774340000002 0.000000000000000 c -0.470249288308500 0.000000000000000 10.412193629400113 Atomic positions (fractional): *1 C 0.15349238675663 0.22839769767425 0.56323517213555 12.011 > 1 2 C 0.40349238675663 0.22839769767425 0.56323517213555 12.011 > 1 3 C 0.65349238675663 0.22839769767425 0.56323517213555 12.011 > 1 4 C 0.90349238675663 0.22839769767425 0.56323517213555 12.011 > 1 5 C 0.15349238675663 0.72839769767425 0.56323517213555 12.011 > 1 6 C 0.40349238675663 0.72839769767425 0.56323517213555 12.011 > 1 7 C 0.65349238675663 0.72839769767425 0.56323517213555 12.011 > 1 8 C 0.90349238675663 0.72839769767425 0.56323517213555 12.011 > 1 9 C 0.09650761324337 0.47839769767425 0.93676482786445 12.011 > 2 10 C 0.34650761324337 0.47839769767425 0.93676482786445 12.011 > 2 11 C 0.59650761324337 0.47839769767425 0.93676482786445 12.011 > 2 12 C 0.84650761324337 0.47839769767425 0.93676482786445 12.011 > 2 13 C 0.09650761324337 0.97839769767425 0.93676482786445 12.011 > 2 14 C 0.34650761324337 0.97839769767425 0.93676482786445 12.011 > 2 15 C 0.59650761324337 0.97839769767425 0.93676482786445 12.011 > 2 16 C 0.84650761324337 0.97839769767425 0.93676482786445 12.011 > 2 17 C 0.09650761324337 0.27160230232575 0.43676482786445 12.011 > 3 18 C 0.34650761324337 0.27160230232575 0.43676482786445 12.011 > 3 19 C 0.59650761324337 0.27160230232575 0.43676482786445 12.011 > 3 20 C 0.84650761324337 0.27160230232575 0.43676482786445 12.011 > 3 21 C 0.09650761324337 0.77160230232575 0.43676482786445 12.011 > 3 22 C 0.34650761324337 0.77160230232575 0.43676482786445 12.011 > 3 23 C 0.59650761324337 0.77160230232575 0.43676482786445 12.011 > 3 24 C 0.84650761324337 0.77160230232575 0.43676482786445 12.011 > 3 25 C 0.15349238675663 0.02160230232575 0.06323517213555 12.011 > 4 26 C 0.40349238675663 0.02160230232575 0.06323517213555 12.011 > 4 27 C 0.65349238675663 0.02160230232575 0.06323517213555 12.011 > 4 28 C 0.90349238675663 0.02160230232575 0.06323517213555 12.011 > 4 29 C 0.15349238675663 0.52160230232575 0.06323517213555 12.011 > 4 30 C 0.40349238675663 0.52160230232575 0.06323517213555 12.011 > 4 31 C 0.65349238675663 0.52160230232575 0.06323517213555 12.011 > 4 32 C 0.90349238675663 0.52160230232575 0.06323517213555 12.011 > 4 *33 O 0.16655300587466 0.43967375603272 0.15116199290602 15.999 > 5 34 O 0.41655300587466 0.43967375603272 0.15116199290602 15.999 > 5 35 O 0.66655300587466 0.43967375603272 0.15116199290602 15.999 > 5 36 O 0.91655300587466 0.43967375603272 0.15116199290602 15.999 > 5 37 O 0.16655300587466 0.93967375603272 0.15116199290602 15.999 > 5 38 O 0.41655300587466 0.93967375603272 0.15116199290602 15.999 > 5 39 O 0.66655300587466 0.93967375603272 0.15116199290602 15.999 > 5 40 O 0.91655300587466 0.93967375603272 0.15116199290602 15.999 > 5 41 O 0.08344699412534 0.18967375603272 0.34883800709398 15.999 > 6 42 O 0.33344699412534 0.18967375603272 0.34883800709398 15.999 > 6 43 O 0.58344699412534 0.18967375603272 0.34883800709398 15.999 > 6 44 O 0.83344699412534 0.18967375603272 0.34883800709398 15.999 > 6 45 O 0.08344699412534 0.68967375603272 0.34883800709398 15.999 > 6 46 O 0.33344699412534 0.68967375603272 0.34883800709398 15.999 > 6 47 O 0.58344699412534 0.68967375603272 0.34883800709398 15.999 > 6 48 O 0.83344699412534 0.68967375603272 0.34883800709398 15.999 > 6 49 O 0.08344699412534 0.06032624396728 0.84883800709398 15.999 > 7 50 O 0.33344699412534 0.06032624396728 0.84883800709398 15.999 > 7 51 O 0.58344699412534 0.06032624396728 0.84883800709398 15.999 > 7 52 O 0.83344699412534 0.06032624396728 0.84883800709398 15.999 > 7 53 O 0.08344699412534 0.56032624396728 0.84883800709398 15.999 > 7 54 O 0.33344699412534 0.56032624396728 0.84883800709398 15.999 > 7 55 O 0.58344699412534 0.56032624396728 0.84883800709398 15.999 > 7 56 O 0.83344699412534 0.56032624396728 0.84883800709398 15.999 > 7 57 O 0.16655300587466 0.31032624396728 0.65116199290602 15.999 > 8 58 O 0.41655300587466 0.31032624396728 0.65116199290602 15.999 > 8 59 O 0.66655300587466 0.31032624396728 0.65116199290602 15.999 > 8 60 O 0.91655300587466 0.31032624396728 0.65116199290602 15.999 > 8 61 O 0.16655300587466 0.81032624396728 0.65116199290602 15.999 > 8 62 O 0.41655300587466 0.81032624396728 0.65116199290602 15.999 > 8 63 O 0.66655300587466 0.81032624396728 0.65116199290602 15.999 > 8 64 O 0.91655300587466 0.81032624396728 0.65116199290602 15.999 > 8 *65 O 0.18224327575686 0.13553966880251 0.06806952650499 15.999 > 9 66 O 0.43224327575686 0.13553966880251 0.06806952650499 15.999 > 9 67 O 0.68224327575686 0.13553966880251 0.06806952650499 15.999 > 9 68 O 0.93224327575686 0.13553966880251 0.06806952650499 15.999 > 9 69 O 0.18224327575686 0.63553966880251 0.06806952650499 15.999 > 9 70 O 0.43224327575686 0.63553966880251 0.06806952650499 15.999 > 9 71 O 0.68224327575686 0.63553966880251 0.06806952650499 15.999 > 9 72 O 0.93224327575686 0.63553966880251 0.06806952650499 15.999 > 9 73 O 0.06775672424314 0.38553966880251 0.43193047349501 15.999 > 10 74 O 0.31775672424314 0.38553966880251 0.43193047349501 15.999 > 10 75 O 0.56775672424314 0.38553966880251 0.43193047349501 15.999 > 10 76 O 0.81775672424314 0.38553966880251 0.43193047349501 15.999 > 10 77 O 0.06775672424314 0.88553966880251 0.43193047349501 15.999 > 10 78 O 0.31775672424314 0.88553966880251 0.43193047349501 15.999 > 10 79 O 0.56775672424314 0.88553966880251 0.43193047349501 15.999 > 10 80 O 0.81775672424314 0.88553966880251 0.43193047349501 15.999 > 10 81 O 0.06775672424314 0.36446033119749 0.93193047349501 15.999 > 11 82 O 0.31775672424314 0.36446033119749 0.93193047349501 15.999 > 11 83 O 0.56775672424314 0.36446033119749 0.93193047349501 15.999 > 11 84 O 0.81775672424314 0.36446033119749 0.93193047349501 15.999 > 11 85 O 0.06775672424314 0.86446033119749 0.93193047349501 15.999 > 11 86 O 0.31775672424314 0.86446033119749 0.93193047349501 15.999 > 11 87 O 0.56775672424314 0.86446033119749 0.93193047349501 15.999 > 11 88 O 0.81775672424314 0.86446033119749 0.93193047349501 15.999 > 11 89 O 0.18224327575686 0.11446033119749 0.56806952650499 15.999 > 12 90 O 0.43224327575686 0.11446033119749 0.56806952650499 15.999 > 12 91 O 0.68224327575686 0.11446033119749 0.56806952650499 15.999 > 12 92 O 0.93224327575686 0.11446033119749 0.56806952650499 15.999 > 12 93 O 0.18224327575686 0.61446033119749 0.56806952650499 15.999 > 12 94 O 0.43224327575686 0.61446033119749 0.56806952650499 15.999 > 12 95 O 0.68224327575686 0.61446033119749 0.56806952650499 15.999 > 12 96 O 0.93224327575686 0.61446033119749 0.56806952650499 15.999 > 12 *97 Na 0.20016168768924 0.22176206929486 0.85573304800677 22.990 > 13 98 Na 0.45016168768924 0.22176206929486 0.85573304800677 22.990 > 13 99 Na 0.70016168768924 0.22176206929486 0.85573304800677 22.990 > 13 100 Na 0.95016168768924 0.22176206929486 0.85573304800677 22.990 > 13 101 Na 0.20016168768924 0.72176206929486 0.85573304800677 22.990 > 13 102 Na 0.45016168768924 0.72176206929486 0.85573304800677 22.990 > 13 103 Na 0.70016168768924 0.72176206929486 0.85573304800677 22.990 > 13 104 Na 0.95016168768924 0.72176206929486 0.85573304800677 22.990 > 13 105 Na 0.04983831231076 0.47176206929486 0.64426695199323 22.990 > 14 106 Na 0.29983831231076 0.47176206929486 0.64426695199323 22.990 > 14 107 Na 0.54983831231076 0.47176206929486 0.64426695199323 22.990 > 14 108 Na 0.79983831231076 0.47176206929486 0.64426695199323 22.990 > 14 109 Na 0.04983831231076 0.97176206929486 0.64426695199323 22.990 > 14 110 Na 0.29983831231076 0.97176206929486 0.64426695199323 22.990 > 14 111 Na 0.54983831231076 0.97176206929486 0.64426695199323 22.990 > 14 112 Na 0.79983831231076 0.97176206929486 0.64426695199323 22.990 > 14 113 Na 0.04983831231076 0.27823793070514 0.14426695199323 22.990 > 15 114 Na 0.29983831231076 0.27823793070514 0.14426695199323 22.990 > 15 115 Na 0.54983831231076 0.27823793070514 0.14426695199323 22.990 > 15 116 Na 0.79983831231076 0.27823793070514 0.14426695199323 22.990 > 15 117 Na 0.04983831231076 0.77823793070514 0.14426695199323 22.990 > 15 118 Na 0.29983831231076 0.77823793070514 0.14426695199323 22.990 > 15 119 Na 0.54983831231076 0.77823793070514 0.14426695199323 22.990 > 15 120 Na 0.79983831231076 0.77823793070514 0.14426695199323 22.990 > 15 121 Na 0.20016168768924 0.02823793070514 0.35573304800677 22.990 > 16 122 Na 0.45016168768924 0.02823793070514 0.35573304800677 22.990 > 16 123 Na 0.70016168768924 0.02823793070514 0.35573304800677 22.990 > 16 124 Na 0.95016168768924 0.02823793070514 0.35573304800677 22.990 > 16 125 Na 0.20016168768924 0.52823793070514 0.35573304800677 22.990 > 16 126 Na 0.45016168768924 0.52823793070514 0.35573304800677 22.990 > 16 127 Na 0.70016168768924 0.52823793070514 0.35573304800677 22.990 > 16 128 Na 0.95016168768924 0.52823793070514 0.35573304800677 22.990 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1170756 0.0000000 0.1349356 0.0000000 2.5928568 0.0000000 0.1349357 0.0000000 2.3637545 -------------------------- Born effective charges -------------------------- 1 C 0.6481337 -0.3593874 0.2496042 -0.3599887 2.1497023 0.4519365 0.2309395 0.4557579 1.2258035 2 C 0.6481337 0.3593874 0.2496042 0.3599887 2.1497023 -0.4519365 0.2309395 -0.4557579 1.2258035 3 C 0.6481337 -0.3593874 0.2496042 -0.3599887 2.1497023 0.4519365 0.2309395 0.4557579 1.2258035 4 C 0.6481337 0.3593874 0.2496042 0.3599887 2.1497023 -0.4519365 0.2309395 -0.4557579 1.2258035 5 O -0.7743375 -0.0504325 -0.1108223 0.0685927 -1.4290078 0.7034219 -0.2014190 0.3880747 -1.4359207 6 O -0.7743375 0.0504325 -0.1108223 -0.0685927 -1.4290078 -0.7034219 -0.2014190 -0.3880747 -1.4359207 7 O -0.7743375 -0.0504325 -0.1108223 0.0685927 -1.4290078 0.7034219 -0.2014190 0.3880747 -1.4359207 8 O -0.7743375 0.0504325 -0.1108223 -0.0685927 -1.4290078 -0.7034219 -0.2014190 -0.3880747 -1.4359207 9 O -0.9111316 -0.3234682 -0.1376090 -0.4132336 -1.9634380 -0.2493536 -0.0306098 0.1286432 -0.8829790 10 O -0.9111316 0.3234682 -0.1376090 0.4132336 -1.9634380 0.2493536 -0.0306098 -0.1286432 -0.8829790 11 O -0.9111316 -0.3234682 -0.1376090 -0.4132336 -1.9634380 -0.2493536 -0.0306098 0.1286432 -0.8829790 12 O -0.9111316 0.3234682 -0.1376090 0.4132336 -1.9634380 0.2493536 -0.0306098 -0.1286432 -0.8829790 13 Na 1.0373354 0.0255570 -0.0011729 -0.0088030 1.2427436 0.0402879 0.0010893 -0.1201270 1.0930961 14 Na 1.0373354 -0.0255570 -0.0011729 0.0088030 1.2427436 -0.0402879 0.0010893 0.1201270 1.0930961 15 Na 1.0373354 0.0255570 -0.0011729 -0.0088030 1.2427436 0.0402879 0.0010893 -0.1201270 1.0930961 16 Na 1.0373354 -0.0255570 -0.0011729 0.0088030 1.2427436 -0.0402879 0.0010893 0.1201270 1.0930961 ---------------------------------------------------------------------------- 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.815 Solver_block: 200 / 480 - Time: 0.727 Solver_block: 300 / 480 - Time: 0.715 Solver_block: 400 / 480 - Time: 0.712 Solver_block: 480 / 480 - Time: 0.612 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.662 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:16:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:12]------------------------- Compiled with OpenMP support (max 48 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): [4 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.459464920048138 0.000000000000000 0.000000000000000 b 0.000000000000000 5.264387170000001 0.000000000000000 c -0.470249288308500 0.000000000000000 10.412193629400113 Atomic positions (fractional): 1 C 0.61396954702653 0.45679539534849 0.56323517213555 12.011 2 C 0.38603045297347 0.95679539534849 0.93676482786445 12.011 3 C 0.38603045297347 0.54320460465151 0.43676482786445 12.011 4 C 0.61396954702653 0.04320460465151 0.06323517213555 12.011 5 O 0.66621202349864 0.87934751206544 0.15116199290602 15.999 6 O 0.33378797650136 0.37934751206544 0.34883800709398 15.999 7 O 0.33378797650136 0.12065248793456 0.84883800709398 15.999 8 O 0.66621202349864 0.62065248793456 0.65116199290602 15.999 9 O 0.72897310302743 0.27107933760503 0.06806952650499 15.999 10 O 0.27102689697257 0.77107933760503 0.43193047349501 15.999 11 O 0.27102689697257 0.72892066239497 0.93193047349501 15.999 12 O 0.72897310302743 0.22892066239497 0.56806952650499 15.999 13 Na 0.80064675075697 0.44352413858972 0.85573304800677 22.990 14 Na 0.19935324924303 0.94352413858972 0.64426695199323 22.990 15 Na 0.19935324924303 0.55647586141028 0.14426695199323 22.990 16 Na 0.80064675075697 0.05647586141028 0.35573304800677 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.837859680192553 0.000000000000000 0.000000000000000 b 0.000000000000000 10.528774340000002 0.000000000000000 c -0.470249288308500 0.000000000000000 10.412193629400113 Atomic positions (fractional): 1 C 0.15349238675663 0.22839769767425 0.56323517213555 12.011 > 1 2 C 0.40349238675663 0.22839769767425 0.56323517213555 12.011 > 1 3 C 0.65349238675663 0.22839769767425 0.56323517213555 12.011 > 1 4 C 0.90349238675663 0.22839769767425 0.56323517213555 12.011 > 1 5 C 0.15349238675663 0.72839769767425 0.56323517213555 12.011 > 1 6 C 0.40349238675663 0.72839769767425 0.56323517213555 12.011 > 1 7 C 0.65349238675663 0.72839769767425 0.56323517213555 12.011 > 1 8 C 0.90349238675663 0.72839769767425 0.56323517213555 12.011 > 1 9 C 0.09650761324337 0.47839769767425 0.93676482786445 12.011 > 9 10 C 0.34650761324337 0.47839769767425 0.93676482786445 12.011 > 9 11 C 0.59650761324337 0.47839769767425 0.93676482786445 12.011 > 9 12 C 0.84650761324337 0.47839769767425 0.93676482786445 12.011 > 9 13 C 0.09650761324337 0.97839769767425 0.93676482786445 12.011 > 9 14 C 0.34650761324337 0.97839769767425 0.93676482786445 12.011 > 9 15 C 0.59650761324337 0.97839769767425 0.93676482786445 12.011 > 9 16 C 0.84650761324337 0.97839769767425 0.93676482786445 12.011 > 9 17 C 0.09650761324337 0.27160230232575 0.43676482786445 12.011 > 17 18 C 0.34650761324337 0.27160230232575 0.43676482786445 12.011 > 17 19 C 0.59650761324337 0.27160230232575 0.43676482786445 12.011 > 17 20 C 0.84650761324337 0.27160230232575 0.43676482786445 12.011 > 17 21 C 0.09650761324337 0.77160230232575 0.43676482786445 12.011 > 17 22 C 0.34650761324337 0.77160230232575 0.43676482786445 12.011 > 17 23 C 0.59650761324337 0.77160230232575 0.43676482786445 12.011 > 17 24 C 0.84650761324337 0.77160230232575 0.43676482786445 12.011 > 17 25 C 0.15349238675663 0.02160230232575 0.06323517213555 12.011 > 25 26 C 0.40349238675663 0.02160230232575 0.06323517213555 12.011 > 25 27 C 0.65349238675663 0.02160230232575 0.06323517213555 12.011 > 25 28 C 0.90349238675663 0.02160230232575 0.06323517213555 12.011 > 25 29 C 0.15349238675663 0.52160230232575 0.06323517213555 12.011 > 25 30 C 0.40349238675663 0.52160230232575 0.06323517213555 12.011 > 25 31 C 0.65349238675663 0.52160230232575 0.06323517213555 12.011 > 25 32 C 0.90349238675663 0.52160230232575 0.06323517213555 12.011 > 25 33 O 0.16655300587466 0.43967375603272 0.15116199290602 15.999 > 33 34 O 0.41655300587466 0.43967375603272 0.15116199290602 15.999 > 33 35 O 0.66655300587466 0.43967375603272 0.15116199290602 15.999 > 33 36 O 0.91655300587466 0.43967375603272 0.15116199290602 15.999 > 33 37 O 0.16655300587466 0.93967375603272 0.15116199290602 15.999 > 33 38 O 0.41655300587466 0.93967375603272 0.15116199290602 15.999 > 33 39 O 0.66655300587466 0.93967375603272 0.15116199290602 15.999 > 33 40 O 0.91655300587466 0.93967375603272 0.15116199290602 15.999 > 33 41 O 0.08344699412534 0.18967375603272 0.34883800709398 15.999 > 41 42 O 0.33344699412534 0.18967375603272 0.34883800709398 15.999 > 41 43 O 0.58344699412534 0.18967375603272 0.34883800709398 15.999 > 41 44 O 0.83344699412534 0.18967375603272 0.34883800709398 15.999 > 41 45 O 0.08344699412534 0.68967375603272 0.34883800709398 15.999 > 41 46 O 0.33344699412534 0.68967375603272 0.34883800709398 15.999 > 41 47 O 0.58344699412534 0.68967375603272 0.34883800709398 15.999 > 41 48 O 0.83344699412534 0.68967375603272 0.34883800709398 15.999 > 41 49 O 0.08344699412534 0.06032624396728 0.84883800709398 15.999 > 49 50 O 0.33344699412534 0.06032624396728 0.84883800709398 15.999 > 49 51 O 0.58344699412534 0.06032624396728 0.84883800709398 15.999 > 49 52 O 0.83344699412534 0.06032624396728 0.84883800709398 15.999 > 49 53 O 0.08344699412534 0.56032624396728 0.84883800709398 15.999 > 49 54 O 0.33344699412534 0.56032624396728 0.84883800709398 15.999 > 49 55 O 0.58344699412534 0.56032624396728 0.84883800709398 15.999 > 49 56 O 0.83344699412534 0.56032624396728 0.84883800709398 15.999 > 49 57 O 0.16655300587466 0.31032624396728 0.65116199290602 15.999 > 57 58 O 0.41655300587466 0.31032624396728 0.65116199290602 15.999 > 57 59 O 0.66655300587466 0.31032624396728 0.65116199290602 15.999 > 57 60 O 0.91655300587466 0.31032624396728 0.65116199290602 15.999 > 57 61 O 0.16655300587466 0.81032624396728 0.65116199290602 15.999 > 57 62 O 0.41655300587466 0.81032624396728 0.65116199290602 15.999 > 57 63 O 0.66655300587466 0.81032624396728 0.65116199290602 15.999 > 57 64 O 0.91655300587466 0.81032624396728 0.65116199290602 15.999 > 57 65 O 0.18224327575686 0.13553966880251 0.06806952650499 15.999 > 65 66 O 0.43224327575686 0.13553966880251 0.06806952650499 15.999 > 65 67 O 0.68224327575686 0.13553966880251 0.06806952650499 15.999 > 65 68 O 0.93224327575686 0.13553966880251 0.06806952650499 15.999 > 65 69 O 0.18224327575686 0.63553966880251 0.06806952650499 15.999 > 65 70 O 0.43224327575686 0.63553966880251 0.06806952650499 15.999 > 65 71 O 0.68224327575686 0.63553966880251 0.06806952650499 15.999 > 65 72 O 0.93224327575686 0.63553966880251 0.06806952650499 15.999 > 65 73 O 0.06775672424314 0.38553966880251 0.43193047349501 15.999 > 73 74 O 0.31775672424314 0.38553966880251 0.43193047349501 15.999 > 73 75 O 0.56775672424314 0.38553966880251 0.43193047349501 15.999 > 73 76 O 0.81775672424314 0.38553966880251 0.43193047349501 15.999 > 73 77 O 0.06775672424314 0.88553966880251 0.43193047349501 15.999 > 73 78 O 0.31775672424314 0.88553966880251 0.43193047349501 15.999 > 73 79 O 0.56775672424314 0.88553966880251 0.43193047349501 15.999 > 73 80 O 0.81775672424314 0.88553966880251 0.43193047349501 15.999 > 73 81 O 0.06775672424314 0.36446033119749 0.93193047349501 15.999 > 81 82 O 0.31775672424314 0.36446033119749 0.93193047349501 15.999 > 81 83 O 0.56775672424314 0.36446033119749 0.93193047349501 15.999 > 81 84 O 0.81775672424314 0.36446033119749 0.93193047349501 15.999 > 81 85 O 0.06775672424314 0.86446033119749 0.93193047349501 15.999 > 81 86 O 0.31775672424314 0.86446033119749 0.93193047349501 15.999 > 81 87 O 0.56775672424314 0.86446033119749 0.93193047349501 15.999 > 81 88 O 0.81775672424314 0.86446033119749 0.93193047349501 15.999 > 81 89 O 0.18224327575686 0.11446033119749 0.56806952650499 15.999 > 89 90 O 0.43224327575686 0.11446033119749 0.56806952650499 15.999 > 89 91 O 0.68224327575686 0.11446033119749 0.56806952650499 15.999 > 89 92 O 0.93224327575686 0.11446033119749 0.56806952650499 15.999 > 89 93 O 0.18224327575686 0.61446033119749 0.56806952650499 15.999 > 89 94 O 0.43224327575686 0.61446033119749 0.56806952650499 15.999 > 89 95 O 0.68224327575686 0.61446033119749 0.56806952650499 15.999 > 89 96 O 0.93224327575686 0.61446033119749 0.56806952650499 15.999 > 89 97 Na 0.20016168768924 0.22176206929486 0.85573304800677 22.990 > 97 98 Na 0.45016168768924 0.22176206929486 0.85573304800677 22.990 > 97 99 Na 0.70016168768924 0.22176206929486 0.85573304800677 22.990 > 97 100 Na 0.95016168768924 0.22176206929486 0.85573304800677 22.990 > 97 101 Na 0.20016168768924 0.72176206929486 0.85573304800677 22.990 > 97 102 Na 0.45016168768924 0.72176206929486 0.85573304800677 22.990 > 97 103 Na 0.70016168768924 0.72176206929486 0.85573304800677 22.990 > 97 104 Na 0.95016168768924 0.72176206929486 0.85573304800677 22.990 > 97 105 Na 0.04983831231076 0.47176206929486 0.64426695199323 22.990 > 105 106 Na 0.29983831231076 0.47176206929486 0.64426695199323 22.990 > 105 107 Na 0.54983831231076 0.47176206929486 0.64426695199323 22.990 > 105 108 Na 0.79983831231076 0.47176206929486 0.64426695199323 22.990 > 105 109 Na 0.04983831231076 0.97176206929486 0.64426695199323 22.990 > 105 110 Na 0.29983831231076 0.97176206929486 0.64426695199323 22.990 > 105 111 Na 0.54983831231076 0.97176206929486 0.64426695199323 22.990 > 105 112 Na 0.79983831231076 0.97176206929486 0.64426695199323 22.990 > 105 113 Na 0.04983831231076 0.27823793070514 0.14426695199323 22.990 > 113 114 Na 0.29983831231076 0.27823793070514 0.14426695199323 22.990 > 113 115 Na 0.54983831231076 0.27823793070514 0.14426695199323 22.990 > 113 116 Na 0.79983831231076 0.27823793070514 0.14426695199323 22.990 > 113 117 Na 0.04983831231076 0.77823793070514 0.14426695199323 22.990 > 113 118 Na 0.29983831231076 0.77823793070514 0.14426695199323 22.990 > 113 119 Na 0.54983831231076 0.77823793070514 0.14426695199323 22.990 > 113 120 Na 0.79983831231076 0.77823793070514 0.14426695199323 22.990 > 113 121 Na 0.20016168768924 0.02823793070514 0.35573304800677 22.990 > 121 122 Na 0.45016168768924 0.02823793070514 0.35573304800677 22.990 > 121 123 Na 0.70016168768924 0.02823793070514 0.35573304800677 22.990 > 121 124 Na 0.95016168768924 0.02823793070514 0.35573304800677 22.990 > 121 125 Na 0.20016168768924 0.52823793070514 0.35573304800677 22.990 > 121 126 Na 0.45016168768924 0.52823793070514 0.35573304800677 22.990 > 121 127 Na 0.70016168768924 0.52823793070514 0.35573304800677 22.990 > 121 128 Na 0.95016168768924 0.52823793070514 0.35573304800677 22.990 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1170756 0.0000000 0.1349356 0.0000000 2.5928568 0.0000000 0.1349357 0.0000000 2.3637545 -------------------------- Born effective charges -------------------------- 1 C 0.6481337 -0.3593874 0.2496042 -0.3599887 2.1497023 0.4519365 0.2309395 0.4557579 1.2258035 2 C 0.6481337 0.3593874 0.2496042 0.3599887 2.1497023 -0.4519365 0.2309395 -0.4557579 1.2258035 3 C 0.6481337 -0.3593874 0.2496042 -0.3599887 2.1497023 0.4519365 0.2309395 0.4557579 1.2258035 4 C 0.6481337 0.3593874 0.2496042 0.3599887 2.1497023 -0.4519365 0.2309395 -0.4557579 1.2258035 5 O -0.7743375 -0.0504325 -0.1108223 0.0685927 -1.4290078 0.7034219 -0.2014190 0.3880747 -1.4359207 6 O -0.7743375 0.0504325 -0.1108223 -0.0685927 -1.4290078 -0.7034219 -0.2014190 -0.3880747 -1.4359207 7 O -0.7743375 -0.0504325 -0.1108223 0.0685927 -1.4290078 0.7034219 -0.2014190 0.3880747 -1.4359207 8 O -0.7743375 0.0504325 -0.1108223 -0.0685927 -1.4290078 -0.7034219 -0.2014190 -0.3880747 -1.4359207 9 O -0.9111316 -0.3234682 -0.1376090 -0.4132336 -1.9634380 -0.2493536 -0.0306098 0.1286432 -0.8829790 10 O -0.9111316 0.3234682 -0.1376090 0.4132336 -1.9634380 0.2493536 -0.0306098 -0.1286432 -0.8829790 11 O -0.9111316 -0.3234682 -0.1376090 -0.4132336 -1.9634380 -0.2493536 -0.0306098 0.1286432 -0.8829790 12 O -0.9111316 0.3234682 -0.1376090 0.4132336 -1.9634380 0.2493536 -0.0306098 -0.1286432 -0.8829790 13 Na 1.0373354 0.0255570 -0.0011729 -0.0088030 1.2427436 0.0402879 0.0010893 -0.1201270 1.0930961 14 Na 1.0373354 -0.0255570 -0.0011729 0.0088030 1.2427436 -0.0402879 0.0010893 0.1201270 1.0930961 15 Na 1.0373354 0.0255570 -0.0011729 -0.0088030 1.2427436 0.0402879 0.0010893 -0.1201270 1.0930961 16 Na 1.0373354 -0.0255570 -0.0011729 0.0088030 1.2427436 -0.0402879 0.0010893 0.1201270 1.0930961 ---------------------------------------------------------------------------- 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) 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 20:16:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:16:30]------------------------- Compiled with OpenMP support (max 48 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): [4 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.459464920048138 0.000000000000000 0.000000000000000 b 0.000000000000000 5.264387170000001 0.000000000000000 c -0.470249288308500 0.000000000000000 10.412193629400113 Atomic positions (fractional): 1 C 0.61396954702653 0.45679539534849 0.56323517213555 12.011 2 C 0.38603045297347 0.95679539534849 0.93676482786445 12.011 3 C 0.38603045297347 0.54320460465151 0.43676482786445 12.011 4 C 0.61396954702653 0.04320460465151 0.06323517213555 12.011 5 O 0.66621202349864 0.87934751206544 0.15116199290602 15.999 6 O 0.33378797650136 0.37934751206544 0.34883800709398 15.999 7 O 0.33378797650136 0.12065248793456 0.84883800709398 15.999 8 O 0.66621202349864 0.62065248793456 0.65116199290602 15.999 9 O 0.72897310302743 0.27107933760503 0.06806952650499 15.999 10 O 0.27102689697257 0.77107933760503 0.43193047349501 15.999 11 O 0.27102689697257 0.72892066239497 0.93193047349501 15.999 12 O 0.72897310302743 0.22892066239497 0.56806952650499 15.999 13 Na 0.80064675075697 0.44352413858972 0.85573304800677 22.990 14 Na 0.19935324924303 0.94352413858972 0.64426695199323 22.990 15 Na 0.19935324924303 0.55647586141028 0.14426695199323 22.990 16 Na 0.80064675075697 0.05647586141028 0.35573304800677 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.837859680192553 0.000000000000000 0.000000000000000 b 0.000000000000000 10.528774340000002 0.000000000000000 c -0.470249288308500 0.000000000000000 10.412193629400113 Atomic positions (fractional): 1 C 0.15349238675663 0.22839769767425 0.56323517213555 12.011 > 1 2 C 0.40349238675663 0.22839769767425 0.56323517213555 12.011 > 1 3 C 0.65349238675663 0.22839769767425 0.56323517213555 12.011 > 1 4 C 0.90349238675663 0.22839769767425 0.56323517213555 12.011 > 1 5 C 0.15349238675663 0.72839769767425 0.56323517213555 12.011 > 1 6 C 0.40349238675663 0.72839769767425 0.56323517213555 12.011 > 1 7 C 0.65349238675663 0.72839769767425 0.56323517213555 12.011 > 1 8 C 0.90349238675663 0.72839769767425 0.56323517213555 12.011 > 1 9 C 0.09650761324337 0.47839769767425 0.93676482786445 12.011 > 9 10 C 0.34650761324337 0.47839769767425 0.93676482786445 12.011 > 9 11 C 0.59650761324337 0.47839769767425 0.93676482786445 12.011 > 9 12 C 0.84650761324337 0.47839769767425 0.93676482786445 12.011 > 9 13 C 0.09650761324337 0.97839769767425 0.93676482786445 12.011 > 9 14 C 0.34650761324337 0.97839769767425 0.93676482786445 12.011 > 9 15 C 0.59650761324337 0.97839769767425 0.93676482786445 12.011 > 9 16 C 0.84650761324337 0.97839769767425 0.93676482786445 12.011 > 9 17 C 0.09650761324337 0.27160230232575 0.43676482786445 12.011 > 17 18 C 0.34650761324337 0.27160230232575 0.43676482786445 12.011 > 17 19 C 0.59650761324337 0.27160230232575 0.43676482786445 12.011 > 17 20 C 0.84650761324337 0.27160230232575 0.43676482786445 12.011 > 17 21 C 0.09650761324337 0.77160230232575 0.43676482786445 12.011 > 17 22 C 0.34650761324337 0.77160230232575 0.43676482786445 12.011 > 17 23 C 0.59650761324337 0.77160230232575 0.43676482786445 12.011 > 17 24 C 0.84650761324337 0.77160230232575 0.43676482786445 12.011 > 17 25 C 0.15349238675663 0.02160230232575 0.06323517213555 12.011 > 25 26 C 0.40349238675663 0.02160230232575 0.06323517213555 12.011 > 25 27 C 0.65349238675663 0.02160230232575 0.06323517213555 12.011 > 25 28 C 0.90349238675663 0.02160230232575 0.06323517213555 12.011 > 25 29 C 0.15349238675663 0.52160230232575 0.06323517213555 12.011 > 25 30 C 0.40349238675663 0.52160230232575 0.06323517213555 12.011 > 25 31 C 0.65349238675663 0.52160230232575 0.06323517213555 12.011 > 25 32 C 0.90349238675663 0.52160230232575 0.06323517213555 12.011 > 25 33 O 0.16655300587466 0.43967375603272 0.15116199290602 15.999 > 33 34 O 0.41655300587466 0.43967375603272 0.15116199290602 15.999 > 33 35 O 0.66655300587466 0.43967375603272 0.15116199290602 15.999 > 33 36 O 0.91655300587466 0.43967375603272 0.15116199290602 15.999 > 33 37 O 0.16655300587466 0.93967375603272 0.15116199290602 15.999 > 33 38 O 0.41655300587466 0.93967375603272 0.15116199290602 15.999 > 33 39 O 0.66655300587466 0.93967375603272 0.15116199290602 15.999 > 33 40 O 0.91655300587466 0.93967375603272 0.15116199290602 15.999 > 33 41 O 0.08344699412534 0.18967375603272 0.34883800709398 15.999 > 41 42 O 0.33344699412534 0.18967375603272 0.34883800709398 15.999 > 41 43 O 0.58344699412534 0.18967375603272 0.34883800709398 15.999 > 41 44 O 0.83344699412534 0.18967375603272 0.34883800709398 15.999 > 41 45 O 0.08344699412534 0.68967375603272 0.34883800709398 15.999 > 41 46 O 0.33344699412534 0.68967375603272 0.34883800709398 15.999 > 41 47 O 0.58344699412534 0.68967375603272 0.34883800709398 15.999 > 41 48 O 0.83344699412534 0.68967375603272 0.34883800709398 15.999 > 41 49 O 0.08344699412534 0.06032624396728 0.84883800709398 15.999 > 49 50 O 0.33344699412534 0.06032624396728 0.84883800709398 15.999 > 49 51 O 0.58344699412534 0.06032624396728 0.84883800709398 15.999 > 49 52 O 0.83344699412534 0.06032624396728 0.84883800709398 15.999 > 49 53 O 0.08344699412534 0.56032624396728 0.84883800709398 15.999 > 49 54 O 0.33344699412534 0.56032624396728 0.84883800709398 15.999 > 49 55 O 0.58344699412534 0.56032624396728 0.84883800709398 15.999 > 49 56 O 0.83344699412534 0.56032624396728 0.84883800709398 15.999 > 49 57 O 0.16655300587466 0.31032624396728 0.65116199290602 15.999 > 57 58 O 0.41655300587466 0.31032624396728 0.65116199290602 15.999 > 57 59 O 0.66655300587466 0.31032624396728 0.65116199290602 15.999 > 57 60 O 0.91655300587466 0.31032624396728 0.65116199290602 15.999 > 57 61 O 0.16655300587466 0.81032624396728 0.65116199290602 15.999 > 57 62 O 0.41655300587466 0.81032624396728 0.65116199290602 15.999 > 57 63 O 0.66655300587466 0.81032624396728 0.65116199290602 15.999 > 57 64 O 0.91655300587466 0.81032624396728 0.65116199290602 15.999 > 57 65 O 0.18224327575686 0.13553966880251 0.06806952650499 15.999 > 65 66 O 0.43224327575686 0.13553966880251 0.06806952650499 15.999 > 65 67 O 0.68224327575686 0.13553966880251 0.06806952650499 15.999 > 65 68 O 0.93224327575686 0.13553966880251 0.06806952650499 15.999 > 65 69 O 0.18224327575686 0.63553966880251 0.06806952650499 15.999 > 65 70 O 0.43224327575686 0.63553966880251 0.06806952650499 15.999 > 65 71 O 0.68224327575686 0.63553966880251 0.06806952650499 15.999 > 65 72 O 0.93224327575686 0.63553966880251 0.06806952650499 15.999 > 65 73 O 0.06775672424314 0.38553966880251 0.43193047349501 15.999 > 73 74 O 0.31775672424314 0.38553966880251 0.43193047349501 15.999 > 73 75 O 0.56775672424314 0.38553966880251 0.43193047349501 15.999 > 73 76 O 0.81775672424314 0.38553966880251 0.43193047349501 15.999 > 73 77 O 0.06775672424314 0.88553966880251 0.43193047349501 15.999 > 73 78 O 0.31775672424314 0.88553966880251 0.43193047349501 15.999 > 73 79 O 0.56775672424314 0.88553966880251 0.43193047349501 15.999 > 73 80 O 0.81775672424314 0.88553966880251 0.43193047349501 15.999 > 73 81 O 0.06775672424314 0.36446033119749 0.93193047349501 15.999 > 81 82 O 0.31775672424314 0.36446033119749 0.93193047349501 15.999 > 81 83 O 0.56775672424314 0.36446033119749 0.93193047349501 15.999 > 81 84 O 0.81775672424314 0.36446033119749 0.93193047349501 15.999 > 81 85 O 0.06775672424314 0.86446033119749 0.93193047349501 15.999 > 81 86 O 0.31775672424314 0.86446033119749 0.93193047349501 15.999 > 81 87 O 0.56775672424314 0.86446033119749 0.93193047349501 15.999 > 81 88 O 0.81775672424314 0.86446033119749 0.93193047349501 15.999 > 81 89 O 0.18224327575686 0.11446033119749 0.56806952650499 15.999 > 89 90 O 0.43224327575686 0.11446033119749 0.56806952650499 15.999 > 89 91 O 0.68224327575686 0.11446033119749 0.56806952650499 15.999 > 89 92 O 0.93224327575686 0.11446033119749 0.56806952650499 15.999 > 89 93 O 0.18224327575686 0.61446033119749 0.56806952650499 15.999 > 89 94 O 0.43224327575686 0.61446033119749 0.56806952650499 15.999 > 89 95 O 0.68224327575686 0.61446033119749 0.56806952650499 15.999 > 89 96 O 0.93224327575686 0.61446033119749 0.56806952650499 15.999 > 89 97 Na 0.20016168768924 0.22176206929486 0.85573304800677 22.990 > 97 98 Na 0.45016168768924 0.22176206929486 0.85573304800677 22.990 > 97 99 Na 0.70016168768924 0.22176206929486 0.85573304800677 22.990 > 97 100 Na 0.95016168768924 0.22176206929486 0.85573304800677 22.990 > 97 101 Na 0.20016168768924 0.72176206929486 0.85573304800677 22.990 > 97 102 Na 0.45016168768924 0.72176206929486 0.85573304800677 22.990 > 97 103 Na 0.70016168768924 0.72176206929486 0.85573304800677 22.990 > 97 104 Na 0.95016168768924 0.72176206929486 0.85573304800677 22.990 > 97 105 Na 0.04983831231076 0.47176206929486 0.64426695199323 22.990 > 105 106 Na 0.29983831231076 0.47176206929486 0.64426695199323 22.990 > 105 107 Na 0.54983831231076 0.47176206929486 0.64426695199323 22.990 > 105 108 Na 0.79983831231076 0.47176206929486 0.64426695199323 22.990 > 105 109 Na 0.04983831231076 0.97176206929486 0.64426695199323 22.990 > 105 110 Na 0.29983831231076 0.97176206929486 0.64426695199323 22.990 > 105 111 Na 0.54983831231076 0.97176206929486 0.64426695199323 22.990 > 105 112 Na 0.79983831231076 0.97176206929486 0.64426695199323 22.990 > 105 113 Na 0.04983831231076 0.27823793070514 0.14426695199323 22.990 > 113 114 Na 0.29983831231076 0.27823793070514 0.14426695199323 22.990 > 113 115 Na 0.54983831231076 0.27823793070514 0.14426695199323 22.990 > 113 116 Na 0.79983831231076 0.27823793070514 0.14426695199323 22.990 > 113 117 Na 0.04983831231076 0.77823793070514 0.14426695199323 22.990 > 113 118 Na 0.29983831231076 0.77823793070514 0.14426695199323 22.990 > 113 119 Na 0.54983831231076 0.77823793070514 0.14426695199323 22.990 > 113 120 Na 0.79983831231076 0.77823793070514 0.14426695199323 22.990 > 113 121 Na 0.20016168768924 0.02823793070514 0.35573304800677 22.990 > 121 122 Na 0.45016168768924 0.02823793070514 0.35573304800677 22.990 > 121 123 Na 0.70016168768924 0.02823793070514 0.35573304800677 22.990 > 121 124 Na 0.95016168768924 0.02823793070514 0.35573304800677 22.990 > 121 125 Na 0.20016168768924 0.52823793070514 0.35573304800677 22.990 > 121 126 Na 0.45016168768924 0.52823793070514 0.35573304800677 22.990 > 121 127 Na 0.70016168768924 0.52823793070514 0.35573304800677 22.990 > 121 128 Na 0.95016168768924 0.52823793070514 0.35573304800677 22.990 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1170756 0.0000000 0.1349356 0.0000000 2.5928568 0.0000000 0.1349357 0.0000000 2.3637545 -------------------------- Born effective charges -------------------------- 1 C 0.6481337 -0.3593874 0.2496042 -0.3599887 2.1497023 0.4519365 0.2309395 0.4557579 1.2258035 2 C 0.6481337 0.3593874 0.2496042 0.3599887 2.1497023 -0.4519365 0.2309395 -0.4557579 1.2258035 3 C 0.6481337 -0.3593874 0.2496042 -0.3599887 2.1497023 0.4519365 0.2309395 0.4557579 1.2258035 4 C 0.6481337 0.3593874 0.2496042 0.3599887 2.1497023 -0.4519365 0.2309395 -0.4557579 1.2258035 5 O -0.7743375 -0.0504325 -0.1108223 0.0685927 -1.4290078 0.7034219 -0.2014190 0.3880747 -1.4359207 6 O -0.7743375 0.0504325 -0.1108223 -0.0685927 -1.4290078 -0.7034219 -0.2014190 -0.3880747 -1.4359207 7 O -0.7743375 -0.0504325 -0.1108223 0.0685927 -1.4290078 0.7034219 -0.2014190 0.3880747 -1.4359207 8 O -0.7743375 0.0504325 -0.1108223 -0.0685927 -1.4290078 -0.7034219 -0.2014190 -0.3880747 -1.4359207 9 O -0.9111316 -0.3234682 -0.1376090 -0.4132336 -1.9634380 -0.2493536 -0.0306098 0.1286432 -0.8829790 10 O -0.9111316 0.3234682 -0.1376090 0.4132336 -1.9634380 0.2493536 -0.0306098 -0.1286432 -0.8829790 11 O -0.9111316 -0.3234682 -0.1376090 -0.4132336 -1.9634380 -0.2493536 -0.0306098 0.1286432 -0.8829790 12 O -0.9111316 0.3234682 -0.1376090 0.4132336 -1.9634380 0.2493536 -0.0306098 -0.1286432 -0.8829790 13 Na 1.0373354 0.0255570 -0.0011729 -0.0088030 1.2427436 0.0402879 0.0010893 -0.1201270 1.0930961 14 Na 1.0373354 -0.0255570 -0.0011729 0.0088030 1.2427436 -0.0402879 0.0010893 0.1201270 1.0930961 15 Na 1.0373354 0.0255570 -0.0011729 -0.0088030 1.2427436 0.0402879 0.0010893 -0.1201270 1.0930961 16 Na 1.0373354 -0.0255570 -0.0011729 0.0088030 1.2427436 -0.0402879 0.0010893 0.1201270 1.0930961 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/180) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 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 1.746 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.578 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.753 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 7.521 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.765 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 13.998 ( 0.000 0.000 0.000) 0.000 14.066 ( 0.000 0.000 0.000) 0.000 14.264 ( 0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 0.000) 0.000 16.695 ( 0.000 0.000 0.000) 0.000 16.833 ( 0.000 0.000 0.000) 0.000 22.243 ( 0.000 0.000 0.000) 0.000 22.517 ( 0.000 0.000 0.000) 0.000 25.121 ( 0.000 0.000 0.000) 0.000 25.128 ( 0.000 0.000 0.000) 0.000 25.778 ( 0.000 0.000 0.000) 0.000 25.855 ( 0.000 0.000 0.000) 0.000 39.492 ( 0.000 0.000 0.000) 0.000 40.181 ( 0.000 0.000 0.000) 0.000 42.506 ( 0.000 0.000 0.000) 0.000 42.534 ( 0.000 0.000 0.000) 0.000 48.390 ( 0.000 0.000 0.000) 0.000 49.003 ( 0.000 0.000 0.000) 0.000 49.199 ( 0.000 0.000 0.000) 0.000 49.266 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/180) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 26.045 0.000 23.940) 35.376 0.564 ( 26.609 0.000 2.547) 26.731 0.910 ( 42.647 0.000 8.380) 43.463 1.956 ( 18.842 0.000 3.623) 19.187 2.222 ( 4.481 0.000 3.439) 5.648 2.718 ( 7.636 0.000 3.853) 8.553 2.758 ( 11.356 0.000 -3.564) 11.902 3.600 ( 2.077 0.000 -3.185) 3.803 3.625 ( 8.494 0.000 -1.063) 8.560 3.805 ( -3.140 0.000 4.578) 5.552 4.062 ( -7.435 0.000 -8.553) 11.333 4.208 ( -0.186 0.000 -2.389) 2.396 4.334 ( -7.177 0.000 3.889) 8.163 4.508 ( 17.072 0.000 -3.770) 17.484 4.704 ( 2.392 0.000 1.099) 2.632 4.821 ( 6.834 0.000 4.656) 8.269 5.073 ( 10.236 0.000 -6.410) 12.077 5.193 ( 3.889 0.000 -63.267) 63.386 5.860 ( 1.956 0.000 1.690) 2.585 6.552 ( -0.351 0.000 0.287) 0.454 6.605 ( -4.725 0.000 9.954) 11.019 6.830 ( 0.939 0.000 32.900) 32.914 6.872 ( -0.380 0.000 -1.543) 1.589 7.466 ( -5.033 0.000 4.151) 6.524 7.790 ( 1.898 0.000 3.091) 3.628 8.342 ( -1.057 0.000 -1.896) 2.171 10.403 ( 0.234 0.000 0.078) 0.247 10.500 ( -0.864 0.000 -0.201) 0.887 13.994 ( -0.392 0.000 -0.488) 0.626 14.048 ( -1.206 0.000 -1.498) 1.923 14.439 ( 7.238 0.000 3.453) 8.020 15.051 ( 1.965 0.000 -42.012) 42.058 16.696 ( 0.116 0.000 -0.057) 0.130 16.823 ( -0.932 0.000 -0.454) 1.037 22.423 ( -2.328 0.000 24.211) 24.323 22.500 ( -1.472 0.000 -0.912) 1.732 25.121 ( 0.070 0.000 0.033) 0.078 25.127 ( -0.153 0.000 0.258) 0.300 25.782 ( 0.311 0.000 0.287) 0.423 25.852 ( -0.228 0.000 -0.241) 0.332 39.807 ( -3.257 0.000 44.815) 44.933 40.146 ( -3.054 0.000 -2.726) 4.094 42.509 ( 0.271 0.000 -0.638) 0.693 42.536 ( 0.195 0.000 0.112) 0.225 48.358 ( -2.977 0.000 -1.188) 3.205 48.945 ( -5.716 0.000 3.800) 6.864 49.143 ( -5.136 0.000 -2.120) 5.557 49.266 ( -4.480 0.000 -14.613) 15.284 ======================= Grid point 2 (3/180) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 24.945 0.000 2.663) 25.087 1.119 ( 26.301 0.000 22.582) 34.665 1.743 ( 35.927 0.000 7.708) 36.744 2.394 ( 12.849 0.000 0.768) 12.872 2.451 ( 26.353 0.000 8.379) 27.653 2.929 ( 11.910 0.000 3.623) 12.449 3.046 ( 15.949 0.000 -4.467) 16.563 3.616 ( -2.462 0.000 -13.778) 13.996 3.779 ( 0.631 0.000 4.819) 4.860 3.860 ( 13.502 0.000 -2.858) 13.801 3.939 ( -0.837 0.000 -3.623) 3.718 4.205 ( -5.281 0.000 2.473) 5.832 4.238 ( 3.832 0.000 -1.819) 4.241 4.782 ( 5.110 0.000 1.482) 5.321 4.884 ( 18.579 0.000 -3.124) 18.840 4.979 ( 6.853 0.000 5.607) 8.854 5.229 ( 3.981 0.000 -25.861) 26.165 5.251 ( 6.589 0.000 -12.169) 13.839 5.945 ( 6.356 0.000 5.166) 8.190 6.485 ( -6.418 0.000 -0.452) 6.434 6.551 ( -0.990 0.000 9.344) 9.397 6.860 ( -0.541 0.000 -3.425) 3.467 6.888 ( 2.777 0.000 9.237) 9.646 7.344 ( -6.674 0.000 4.888) 8.272 7.835 ( 1.802 0.000 6.380) 6.629 8.304 ( -2.470 0.000 -2.434) 3.467 10.413 ( 0.734 0.000 0.290) 0.789 10.476 ( -1.415 0.000 -0.506) 1.502 13.982 ( -0.659 0.000 -0.859) 1.082 14.026 ( -0.755 0.000 -1.295) 1.498 14.627 ( 9.870 0.000 5.159) 11.137 15.053 ( 0.999 0.000 -19.622) 19.647 16.699 ( 0.206 0.000 0.064) 0.215 16.797 ( -1.403 0.000 -1.012) 1.730 22.387 ( -2.606 0.000 9.887) 10.224 22.459 ( -2.265 0.000 -1.446) 2.687 25.122 ( -0.345 0.000 0.389) 0.520 25.123 ( 0.014 0.000 -0.011) 0.017 25.792 ( 0.621 0.000 0.487) 0.789 25.846 ( -0.323 0.000 -0.405) 0.518 39.771 ( -3.013 0.000 19.935) 20.161 40.059 ( -4.786 0.000 -4.402) 6.502 42.515 ( 0.369 0.000 -0.861) 0.937 42.542 ( 0.302 0.000 0.174) 0.348 48.270 ( -5.292 0.000 -2.274) 5.760 48.782 ( -10.357 0.000 7.141) 12.580 48.995 ( -8.493 0.000 -4.800) 9.756 49.116 ( -8.951 0.000 -4.382) 9.966 ======================= Grid point 3 (4/180) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 22.811 0.000 2.290) 22.925 1.673 ( 25.044 0.000 21.044) 32.712 2.327 ( 20.010 0.000 2.836) 20.210 2.805 ( 26.186 0.000 1.154) 26.211 2.943 ( 16.402 0.000 16.820) 23.493 3.232 ( 18.421 0.000 -6.097) 19.404 3.388 ( 17.597 0.000 -3.337) 17.911 3.465 ( -6.939 0.000 -16.250) 17.669 3.841 ( 2.713 0.000 1.938) 3.334 4.018 ( 6.620 0.000 -1.232) 6.733 4.115 ( 9.838 0.000 -3.620) 10.483 4.153 ( 1.545 0.000 4.177) 4.454 4.380 ( 10.097 0.000 -0.240) 10.100 4.913 ( 6.877 0.000 -2.509) 7.320 5.085 ( 3.598 0.000 5.810) 6.834 5.236 ( 15.068 0.000 -1.423) 15.135 5.311 ( 0.945 0.000 -14.667) 14.697 5.326 ( 6.804 0.000 -8.845) 11.159 6.121 ( 9.305 0.000 6.467) 11.331 6.334 ( -7.896 0.000 -2.093) 8.169 6.537 ( -1.223 0.000 7.648) 7.746 6.845 ( -0.523 0.000 -5.940) 5.963 6.963 ( 3.909 0.000 3.004) 4.929 7.222 ( -4.971 0.000 4.535) 6.729 7.874 ( 1.401 0.000 7.837) 7.962 8.232 ( -4.301 0.000 -3.355) 5.455 10.434 ( 1.268 0.000 0.486) 1.358 10.444 ( -1.506 0.000 -0.377) 1.552 13.967 ( -0.741 0.000 -1.050) 1.285 14.013 ( -0.491 0.000 -0.603) 0.777 14.833 ( 9.137 0.000 5.600) 10.717 15.055 ( 0.652 0.000 -11.573) 11.591 16.704 ( 0.251 0.000 0.378) 0.454 16.767 ( -1.362 0.000 -1.514) 2.037 22.337 ( -2.801 0.000 4.833) 5.586 22.409 ( -2.426 0.000 -1.502) 2.853 25.114 ( -0.481 0.000 0.409) 0.631 25.121 ( -0.161 0.000 -0.122) 0.202 25.808 ( 0.865 0.000 0.545) 1.023 25.840 ( -0.250 0.000 -0.455) 0.519 39.723 ( -2.948 0.000 11.112) 11.496 39.950 ( -5.157 0.000 -4.706) 6.981 42.522 ( 0.316 0.000 -0.714) 0.781 42.548 ( 0.292 0.000 0.173) 0.340 48.143 ( -6.464 0.000 -3.110) 7.174 48.544 ( -12.975 0.000 8.161) 15.328 48.802 ( -9.385 0.000 -6.141) 11.216 48.902 ( -11.197 0.000 -0.228) 11.199 ======================= Grid point 4 (5/180) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 18.922 0.000 1.247) 18.963 2.174 ( 21.076 0.000 18.941) 28.337 2.682 ( 16.374 0.000 -1.562) 16.448 3.114 ( -0.198 0.000 -0.775) 0.800 3.333 ( 1.876 0.000 -6.172) 6.451 3.333 ( 22.415 0.000 -1.419) 22.460 3.664 ( 12.135 0.000 7.249) 14.136 3.777 ( 20.187 0.000 0.745) 20.201 3.882 ( 6.684 0.000 -6.881) 9.593 4.177 ( 8.499 0.000 1.097) 8.570 4.244 ( 3.445 0.000 -0.501) 3.481 4.281 ( 8.504 0.000 4.136) 9.456 4.595 ( 8.067 0.000 -2.162) 8.352 5.005 ( 3.221 0.000 -4.125) 5.234 5.223 ( 9.240 0.000 6.764) 11.451 5.290 ( -0.857 0.000 -13.806) 13.833 5.475 ( 8.056 0.000 -1.748) 8.244 5.488 ( 9.177 0.000 0.247) 9.181 6.162 ( -8.226 0.000 -4.862) 9.556 6.307 ( 7.687 0.000 5.635) 9.532 6.515 ( -1.529 0.000 6.354) 6.535 6.822 ( -1.257 0.000 -8.484) 8.577 7.052 ( 4.365 0.000 1.524) 4.623 7.171 ( -0.057 0.000 4.576) 4.576 7.908 ( 1.135 0.000 7.339) 7.426 8.119 ( -6.352 0.000 -4.239) 7.636 10.416 ( -1.188 0.000 -0.034) 1.188 10.464 ( 1.480 0.000 0.476) 1.555 13.951 ( -0.662 0.000 -1.050) 1.241 14.003 ( -0.412 0.000 0.030) 0.413 15.002 ( 6.577 0.000 4.820) 8.154 15.058 ( 0.445 0.000 -7.118) 7.132 16.710 ( 0.247 0.000 0.707) 0.749 16.740 ( -1.078 0.000 -1.707) 2.019 22.284 ( -2.582 0.000 2.482) 3.582 22.358 ( -2.292 0.000 -1.252) 2.611 25.104 ( -0.476 0.000 0.380) 0.609 25.116 ( -0.324 0.000 -0.223) 0.393 25.827 ( 0.942 0.000 0.468) 1.052 25.836 ( -0.085 0.000 -0.399) 0.408 39.674 ( -2.542 0.000 6.594) 7.067 39.843 ( -4.694 0.000 -4.019) 6.180 42.527 ( 0.204 0.000 -0.453) 0.497 42.554 ( 0.207 0.000 0.131) 0.245 48.006 ( -6.303 0.000 -3.476) 7.198 48.280 ( -12.766 0.000 6.737) 14.435 48.609 ( -8.462 0.000 -5.400) 10.038 48.669 ( -11.070 0.000 1.793) 11.215 ======================= Grid point 5 (6/180) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 12.264 0.000 0.036) 12.264 2.553 ( 13.851 0.000 13.789) 19.545 3.036 ( 18.135 0.000 -1.784) 18.223 3.047 ( -2.933 0.000 -13.612) 13.925 3.434 ( 5.146 0.000 6.053) 7.945 3.717 ( 15.721 0.000 -4.671) 16.400 3.728 ( 0.951 0.000 6.818) 6.884 4.137 ( 11.053 0.000 -1.877) 11.211 4.141 ( 8.514 0.000 7.624) 11.429 4.313 ( 7.715 0.000 -2.303) 8.052 4.340 ( 6.663 0.000 -1.253) 6.780 4.453 ( 6.897 0.000 3.147) 7.581 4.632 ( -2.903 0.000 -5.255) 6.003 5.117 ( 6.699 0.000 5.138) 8.442 5.288 ( 2.769 0.000 -11.995) 12.311 5.409 ( 7.677 0.000 -0.022) 7.677 5.615 ( 3.081 0.000 2.118) 3.738 5.653 ( 8.455 0.000 1.956) 8.678 6.001 ( -6.191 0.000 -7.060) 9.390 6.442 ( 5.016 0.000 5.068) 7.130 6.491 ( -1.043 0.000 4.725) 4.839 6.777 ( -2.112 0.000 -8.696) 8.948 7.140 ( 3.941 0.000 1.611) 4.258 7.218 ( 3.522 0.000 3.488) 4.957 7.935 ( 0.880 0.000 5.483) 5.553 7.966 ( -7.777 0.000 -4.634) 9.053 10.396 ( -0.697 0.000 0.233) 0.735 10.493 ( 1.259 0.000 0.302) 1.295 13.938 ( -0.481 0.000 -0.861) 0.987 13.996 ( -0.295 0.000 0.356) 0.462 15.060 ( 0.288 0.000 -4.126) 4.136 15.112 ( 3.777 0.000 3.306) 5.019 16.715 ( 0.196 0.000 0.803) 0.827 16.719 ( -0.762 0.000 -1.475) 1.660 22.238 ( -1.963 0.000 1.290) 2.349 22.314 ( -1.902 0.000 -0.883) 2.097 25.096 ( -0.355 0.000 0.308) 0.470 25.108 ( -0.356 0.000 -0.240) 0.430 25.835 ( 0.047 0.000 -0.277) 0.281 25.846 ( 0.795 0.000 0.316) 0.856 39.633 ( -1.832 0.000 3.820) 4.237 39.753 ( -3.636 0.000 -2.839) 4.613 42.530 ( 0.099 0.000 -0.238) 0.258 42.557 ( 0.109 0.000 0.078) 0.134 47.885 ( -4.926 0.000 -3.118) 5.830 48.047 ( -9.954 0.000 4.461) 10.908 48.451 ( -6.329 0.000 -3.733) 7.348 48.462 ( -8.767 0.000 2.318) 9.068 ======================= Grid point 6 (7/180) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 4.978 0.000 -0.570) 5.010 2.772 ( 6.584 0.000 6.581) 9.309 2.999 ( -0.705 0.000 -9.032) 9.060 3.405 ( 16.650 0.000 -0.628) 16.662 3.494 ( 0.397 0.000 3.766) 3.787 3.840 ( 8.968 0.000 6.830) 11.272 3.999 ( 12.319 0.000 -4.763) 13.208 4.114 ( -6.619 0.000 6.082) 8.989 4.228 ( -2.296 0.000 -1.208) 2.594 4.404 ( -5.841 0.000 -1.615) 6.060 4.445 ( 3.813 0.000 -4.048) 5.561 4.557 ( 3.070 0.000 3.476) 4.638 4.675 ( 10.175 0.000 -3.698) 10.826 5.208 ( 0.591 0.000 8.981) 9.000 5.394 ( 7.643 0.000 -9.215) 11.972 5.546 ( 5.789 0.000 -5.236) 7.806 5.627 ( -1.950 0.000 4.166) 4.600 5.759 ( 0.478 0.000 3.340) 3.374 5.939 ( 1.301 0.000 -5.187) 5.348 6.487 ( 0.284 0.000 2.633) 2.648 6.530 ( 3.163 0.000 4.578) 5.564 6.724 ( -2.197 0.000 -6.722) 7.072 7.214 ( 2.934 0.000 1.649) 3.366 7.292 ( 2.881 0.000 1.749) 3.371 7.807 ( -6.587 0.000 -3.669) 7.540 7.953 ( 0.498 0.000 2.881) 2.923 10.387 ( -0.281 0.000 0.231) 0.364 10.514 ( 0.709 0.000 0.123) 0.719 13.930 ( -0.251 0.000 -0.491) 0.552 13.992 ( -0.139 0.000 0.306) 0.336 15.062 ( 0.144 0.000 -1.884) 1.889 15.168 ( 1.598 0.000 1.623) 2.278 16.706 ( -0.414 0.000 -0.856) 0.951 16.719 ( 0.109 0.000 0.536) 0.547 22.207 ( -1.055 0.000 0.572) 1.200 22.281 ( -1.119 0.000 -0.460) 1.210 25.090 ( -0.183 0.000 0.177) 0.255 25.102 ( -0.229 0.000 -0.154) 0.276 25.836 ( 0.070 0.000 -0.136) 0.153 25.859 ( 0.453 0.000 0.152) 0.477 39.607 ( -0.949 0.000 1.782) 2.019 39.692 ( -2.012 0.000 -1.457) 2.484 42.531 ( 0.032 0.000 -0.097) 0.102 42.559 ( 0.040 0.000 0.035) 0.053 47.803 ( -2.679 0.000 -1.887) 3.276 47.889 ( -5.395 0.000 2.174) 5.816 48.322 ( -4.824 0.000 1.573) 5.074 48.347 ( -3.376 0.000 -1.869) 3.859 ======================= Grid point 7 (8/180) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 0.000 0.000 -0.000) 0.000 2.843 ( 0.000 0.000 -0.000) 0.000 2.990 ( 0.000 0.000 -0.000) 0.000 3.494 ( 0.000 0.000 -0.000) 0.000 3.626 ( 0.000 0.000 -0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.013 ( -0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.210 ( -0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 -0.000) 0.000 4.484 ( 0.000 0.000 -0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.810 ( 0.000 0.000 -0.000) 0.000 5.198 ( -0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 -0.000) 0.000 5.563 ( -0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 -0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 5.965 ( 0.000 0.000 -0.000) 0.000 6.495 ( 0.000 0.000 -0.000) 0.000 6.571 ( 0.000 0.000 -0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 -0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.960 ( 0.000 0.000 -0.000) 0.000 10.384 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 -0.000) 0.000 13.927 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 15.063 ( 0.000 0.000 -0.000) 0.000 15.185 ( 0.000 0.000 -0.000) 0.000 16.701 ( 0.000 0.000 0.000) 0.000 16.721 ( 0.000 0.000 -0.000) 0.000 22.197 ( 0.000 0.000 -0.000) 0.000 22.269 ( 0.000 0.000 -0.000) 0.000 25.088 ( 0.000 0.000 -0.000) 0.000 25.099 ( 0.000 0.000 -0.000) 0.000 25.837 ( 0.000 0.000 0.000) 0.000 25.864 ( 0.000 0.000 0.000) 0.000 39.598 ( 0.000 0.000 0.000) 0.000 39.670 ( 0.000 0.000 -0.000) 0.000 42.531 ( 0.000 0.000 -0.000) 0.000 42.559 ( 0.000 0.000 -0.000) 0.000 47.774 ( 0.000 0.000 -0.000) 0.000 47.834 ( 0.000 0.000 -0.000) 0.000 48.272 ( 0.000 0.000 0.000) 0.000 48.311 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 15 (9/180) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 0.000 22.360 0.000) 22.360 0.725 ( 0.000 33.334 0.000) 33.334 1.352 ( 0.000 55.277 0.000) 55.277 1.827 ( 0.000 11.988 0.000) 11.988 2.352 ( 0.000 13.900 0.000) 13.900 2.684 ( 0.000 4.995 0.000) 4.995 2.816 ( 0.000 18.551 0.000) 18.551 3.486 ( 0.000 -4.319 0.000) 4.319 3.723 ( 0.000 -5.189 0.000) 5.189 3.982 ( 0.000 0.156 0.000) 0.156 4.012 ( 0.000 4.236 0.000) 4.236 4.088 ( 0.000 -8.938 0.000) 8.938 4.133 ( 0.000 -2.572 0.000) 2.572 4.425 ( 0.000 -0.693 0.000) 0.693 4.658 ( 0.000 -2.668 0.000) 2.668 4.700 ( 0.000 0.752 0.000) 0.752 4.806 ( 0.000 4.217 0.000) 4.217 5.061 ( 0.000 2.966 0.000) 2.966 5.833 ( 0.000 0.194 0.000) 0.194 6.462 ( 0.000 -13.288 0.000) 13.288 6.515 ( 0.000 -3.585 0.000) 3.585 6.688 ( 0.000 2.885 0.000) 2.885 6.961 ( 0.000 4.714 0.000) 4.714 7.386 ( 0.000 -7.181 0.000) 7.181 7.809 ( 0.000 7.336 0.000) 7.336 9.377 ( 0.000 -9.010 0.000) 9.010 10.398 ( 0.000 -0.578 0.000) 0.578 10.503 ( 0.000 -0.499 0.000) 0.499 14.000 ( 0.000 0.036 0.000) 0.036 14.052 ( 0.000 -1.270 0.000) 1.270 14.268 ( 0.000 0.343 0.000) 0.343 14.384 ( 0.000 -0.732 0.000) 0.732 16.726 ( 0.000 2.645 0.000) 2.645 16.802 ( 0.000 -2.565 0.000) 2.565 22.257 ( 0.000 1.243 0.000) 1.243 22.572 ( 0.000 -1.662 0.000) 1.662 25.121 ( 0.000 0.005 0.000) 0.005 25.128 ( 0.000 -0.025 0.000) 0.025 25.795 ( 0.000 1.396 0.000) 1.396 25.835 ( 0.000 -1.671 0.000) 1.671 39.515 ( 0.000 1.991 0.000) 1.991 40.243 ( 0.000 -6.625 0.000) 6.625 42.510 ( 0.000 0.281 0.000) 0.281 42.535 ( 0.000 0.039 0.000) 0.039 48.460 ( 0.000 6.220 0.000) 6.220 49.078 ( 0.000 -3.813 0.000) 3.813 49.575 ( 0.000 20.606 0.000) 20.606 51.657 ( 0.000 -1.954 0.000) 1.954 ======================= Grid point 16 (10/180) ======================= q-point: ( 0.07 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 9.601 23.798 -1.031) 25.683 0.912 ( 15.428 26.857 15.223) 34.512 1.479 ( 14.097 34.090 3.221) 37.031 1.981 ( 14.783 3.612 0.179) 15.218 2.503 ( 12.662 18.652 8.003) 23.923 2.792 ( 9.203 4.885 0.710) 10.444 2.929 ( 10.256 21.460 -3.792) 24.085 3.544 ( 5.249 -4.340 -1.024) 6.887 3.687 ( 0.477 -1.468 -5.541) 5.752 3.805 ( -3.910 3.459 7.959) 9.518 4.000 ( -5.384 -5.495 -6.977) 10.386 4.138 ( 2.260 -3.340 -0.236) 4.039 4.337 ( -4.079 -1.885 0.007) 4.493 4.479 ( 19.324 -1.495 -8.825) 21.296 4.687 ( 2.805 -2.379 0.666) 3.738 4.847 ( 7.534 0.302 1.429) 7.674 4.877 ( 8.872 -3.120 -9.995) 13.724 5.200 ( 9.895 -0.253 -10.878) 14.707 5.859 ( 2.665 1.011 3.285) 4.349 6.496 ( -0.403 -9.928 19.041) 21.478 6.512 ( 0.251 -5.441 -7.052) 8.910 6.704 ( 2.138 -0.933 0.800) 2.466 6.972 ( 0.893 5.296 1.042) 5.471 7.421 ( 1.883 -8.812 3.231) 9.572 7.761 ( -3.813 7.036 1.568) 8.155 8.855 ( -30.317 13.156 -4.047) 33.295 10.398 ( 0.120 -0.469 0.180) 0.517 10.498 ( -0.561 -0.193 0.107) 0.603 13.993 ( -0.564 -0.143 -0.373) 0.691 14.045 ( -0.921 -0.558 -0.921) 1.417 14.413 ( 7.856 -2.473 1.616) 8.393 14.651 ( 17.673 -15.714 -13.971) 27.467 16.723 ( -0.194 2.395 -0.556) 2.466 16.818 ( 0.579 -1.708 1.611) 2.419 22.317 ( 2.947 -2.497 8.407) 9.252 22.535 ( -3.081 -0.468 0.763) 3.208 25.118 ( -0.086 -0.108 -0.156) 0.208 25.127 ( -0.123 0.004 0.233) 0.264 25.782 ( -0.648 0.315 0.321) 0.789 25.840 ( 0.279 -0.862 -0.761) 1.183 39.597 ( 4.275 -4.974 13.372) 14.894 40.179 ( -5.104 -3.759 -0.366) 6.350 42.513 ( 0.285 0.120 -0.677) 0.744 42.536 ( 0.123 0.150 0.496) 0.533 48.418 ( -3.830 6.096 -0.312) 7.206 49.027 ( -4.927 -3.516 1.115) 6.155 49.502 ( -6.964 20.322 0.553) 21.489 50.501 ( -64.973 58.653 -10.603) 88.170 ======================= Grid point 17 (11/180) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 14.969 6.553 0.480) 16.348 1.330 ( 22.425 16.875 18.115) 33.404 1.907 ( 24.104 10.852 4.983) 26.900 2.389 ( 23.155 1.901 1.730) 23.297 2.814 ( 14.624 15.568 11.187) 24.112 3.029 ( 13.619 4.181 -0.633) 14.261 3.177 ( 13.026 22.480 -6.336) 26.743 3.596 ( -1.260 -1.634 -10.354) 10.557 3.763 ( 3.560 -2.986 5.378) 7.107 3.856 ( 10.024 0.236 -1.699) 10.170 3.939 ( 2.358 0.237 -2.003) 3.103 4.157 ( -0.044 0.190 0.505) 0.542 4.267 ( -0.501 -0.273 -3.613) 3.657 4.762 ( 5.386 -2.673 -3.407) 6.911 4.864 ( 16.212 -1.576 -2.450) 16.472 4.998 ( 7.185 0.513 1.524) 7.363 5.070 ( 10.045 -4.471 -7.872) 13.522 5.347 ( 5.119 1.028 -12.047) 13.130 5.959 ( 6.652 2.011 5.990) 9.174 6.466 ( -4.036 -1.648 -6.027) 7.439 6.484 ( -1.528 -6.329 13.416) 14.912 6.773 ( 3.722 -4.712 1.130) 6.110 6.995 ( 1.190 6.263 1.012) 6.455 7.388 ( -6.276 -1.837 5.594) 8.605 7.729 ( 1.660 -1.622 0.454) 2.365 8.399 ( -14.967 3.005 -1.665) 15.356 10.403 ( 0.337 -0.766 0.270) 0.880 10.483 ( -0.767 0.595 -0.043) 0.972 13.978 ( -0.700 -0.295 -0.794) 1.099 14.025 ( -0.762 -0.212 -1.014) 1.286 14.603 ( 9.824 -2.279 3.703) 10.744 14.886 ( 7.562 -11.154 -12.429) 18.332 16.718 ( -0.212 1.766 -0.388) 1.821 16.816 ( -0.775 0.509 0.394) 1.008 22.351 ( -0.294 -1.984 6.554) 6.854 22.466 ( -3.310 -0.184 -0.696) 3.387 25.117 ( -0.071 -0.289 -0.025) 0.299 25.123 ( -0.227 0.039 0.268) 0.353 25.777 ( 0.069 -1.097 0.344) 1.152 25.844 ( 0.251 0.005 -0.515) 0.573 39.657 ( 0.520 -6.082 11.349) 12.886 40.063 ( -5.696 -1.994 -2.309) 6.462 42.519 ( 0.326 0.055 -0.879) 0.939 42.541 ( 0.266 0.118 0.484) 0.565 48.312 ( -6.102 5.298 -1.067) 8.151 48.881 ( -9.139 -2.305 2.747) 9.817 49.295 ( -13.051 21.528 0.206) 25.176 49.558 ( -29.417 42.073 -5.918) 51.677 ======================= Grid point 18 (12/180) ======================= q-point: ( 0.21 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 22.392 -9.260 0.810) 24.245 1.833 ( 24.005 11.778 17.748) 32.093 2.389 ( 20.933 5.823 3.108) 21.948 2.891 ( 23.827 3.210 5.453) 24.652 3.066 ( 8.929 6.436 7.675) 13.418 3.288 ( 6.961 -3.948 -11.061) 13.653 3.456 ( 15.948 17.815 -4.890) 24.405 3.569 ( 3.488 5.405 -2.597) 6.937 3.830 ( 2.059 -1.807 1.790) 3.273 4.011 ( 7.208 -0.918 -2.218) 7.598 4.108 ( 7.683 0.262 4.299) 8.808 4.213 ( 5.689 7.405 -2.308) 9.619 4.360 ( 11.380 -1.532 -3.106) 11.896 4.863 ( 4.008 -4.977 -6.900) 9.404 5.059 ( 4.968 -0.839 3.915) 6.380 5.235 ( 13.079 -1.424 -2.624) 13.416 5.262 ( 8.736 -1.414 -2.151) 9.108 5.409 ( 2.930 4.241 -8.723) 10.132 6.126 ( 7.798 1.001 6.438) 10.162 6.354 ( -5.569 1.399 -5.121) 7.693 6.471 ( -0.621 -4.918 7.746) 9.196 6.846 ( 3.079 -2.230 -0.743) 3.874 7.020 ( 1.195 5.821 -0.593) 5.972 7.234 ( -7.202 -0.217 3.404) 7.968 7.793 ( 3.348 -4.974 2.910) 6.665 8.163 ( -8.857 -7.313 -0.661) 11.505 10.408 ( 0.021 -1.286 0.113) 1.291 10.472 ( -0.114 1.474 0.308) 1.511 13.964 ( -0.632 -0.201 -0.982) 1.185 14.011 ( -0.592 -0.261 -0.490) 0.812 14.804 ( 8.894 -2.631 3.500) 9.914 14.988 ( 3.938 -4.968 -7.804) 10.054 16.714 ( -0.135 1.080 -0.113) 1.094 16.794 ( -1.171 1.705 -0.545) 2.139 22.327 ( -2.214 -0.793 4.124) 4.747 22.403 ( -2.641 -0.545 -1.462) 3.068 25.113 ( -0.392 -0.128 0.270) 0.493 25.119 ( -0.187 -0.087 -0.042) 0.210 25.784 ( 0.518 -1.697 0.239) 1.790 25.849 ( 0.284 0.617 -0.227) 0.716 39.655 ( -1.283 -4.627 7.623) 9.010 39.945 ( -5.417 -1.422 -3.116) 6.409 42.524 ( 0.270 0.069 -0.750) 0.800 42.547 ( 0.293 0.017 0.375) 0.476 48.175 ( -6.897 4.295 -1.798) 8.322 48.662 ( -12.184 0.990 4.856) 13.153 48.981 ( -15.658 22.876 -3.318) 27.919 49.119 ( -15.998 18.120 -1.090) 24.197 ======================= Grid point 19 (13/180) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 23.325 -10.604 0.240) 25.623 2.331 ( 21.970 9.728 16.605) 29.207 2.765 ( 15.635 6.543 -0.777) 16.967 3.125 ( -0.337 1.203 -0.303) 1.286 3.333 ( 3.652 -0.083 -3.918) 5.357 3.396 ( 19.649 3.694 -4.939) 20.594 3.689 ( 2.438 0.322 8.673) 9.015 3.795 ( 15.953 1.141 0.550) 16.003 3.927 ( 10.973 3.761 -4.331) 12.382 4.182 ( 8.827 0.524 0.591) 8.862 4.281 ( 7.492 2.237 2.927) 8.349 4.293 ( 3.641 2.665 -0.609) 4.553 4.636 ( 11.091 4.133 -3.387) 12.312 4.890 ( 0.252 -8.680 -7.375) 11.393 5.180 ( 6.457 -2.609 1.911) 7.222 5.364 ( 2.081 2.281 -2.140) 3.757 5.436 ( 6.856 -2.168 -1.699) 7.388 5.549 ( 10.448 5.126 0.388) 11.644 6.167 ( -5.292 1.025 -5.045) 7.383 6.338 ( 5.273 1.813 4.779) 7.344 6.476 ( 0.597 -1.956 3.818) 4.331 6.870 ( -1.379 2.457 -5.065) 5.796 7.048 ( 2.322 0.082 -0.385) 2.356 7.155 ( -0.298 -1.468 3.725) 4.015 7.853 ( 1.874 -4.160 5.159) 6.887 8.008 ( -6.297 -10.220 -2.387) 12.239 10.403 ( -0.436 -0.866 0.056) 0.972 10.480 ( 0.753 1.182 0.554) 1.507 13.951 ( -0.556 -0.002 -1.014) 1.157 14.000 ( -0.431 -0.318 0.093) 0.544 14.959 ( 5.561 -3.220 0.377) 6.437 15.053 ( 3.120 -0.747 -2.156) 3.865 16.713 ( 0.006 0.620 0.061) 0.623 16.770 ( -1.070 2.067 -0.833) 2.472 22.278 ( -2.536 -0.500 2.167) 3.373 22.352 ( -2.247 -0.557 -1.145) 2.583 25.104 ( -0.447 -0.021 0.327) 0.554 25.114 ( -0.313 -0.124 -0.192) 0.387 25.797 ( 0.754 -1.683 0.064) 1.846 25.855 ( 0.260 0.828 -0.002) 0.868 39.629 ( -1.615 -3.371 4.858) 6.129 39.836 ( -4.807 -1.129 -2.880) 5.716 42.528 ( 0.177 0.075 -0.507) 0.542 42.553 ( 0.226 -0.024 0.262) 0.347 48.034 ( -6.310 3.776 -2.115) 7.652 48.403 ( -12.917 5.585 5.172) 14.993 48.691 ( -11.885 12.901 -3.881) 17.965 48.820 ( -13.216 11.589 0.439) 17.583 ======================= Grid point 20 (14/180) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 18.961 -5.086 -0.792) 19.648 2.729 ( 13.855 11.012 14.016) 22.576 3.022 ( 4.905 1.898 -10.799) 12.012 3.128 ( 8.530 4.278 -2.139) 9.780 3.438 ( 5.793 0.700 4.060) 7.108 3.617 ( 1.516 -4.601 2.016) 5.247 3.820 ( 12.718 3.811 0.168) 13.278 4.096 ( 9.476 -3.628 4.365) 11.046 4.173 ( 10.615 1.505 -1.219) 10.791 4.299 ( 1.013 1.237 3.494) 3.842 4.380 ( 9.022 2.410 -4.171) 10.228 4.449 ( 6.215 -0.109 2.109) 6.564 4.695 ( -2.873 4.322 -5.979) 7.917 4.929 ( 3.187 -11.397 -1.917) 11.988 5.313 ( 4.195 -6.911 1.628) 8.247 5.394 ( 2.851 4.150 -3.130) 5.929 5.562 ( 5.343 -4.403 -0.778) 6.967 5.752 ( 8.177 6.686 4.563) 11.506 6.044 ( -4.656 3.733 -7.804) 9.824 6.454 ( 4.911 1.242 6.771) 8.456 6.496 ( 1.076 1.231 0.555) 1.727 6.799 ( -3.802 0.913 -7.226) 8.217 7.121 ( 3.839 -2.025 1.320) 4.536 7.196 ( 3.084 -1.623 2.741) 4.434 7.860 ( -2.990 -7.464 2.232) 8.345 7.911 ( -1.392 -3.676 -0.956) 4.045 10.395 ( -0.319 -0.120 0.209) 0.400 10.498 ( 0.841 0.392 0.396) 1.009 13.939 ( -0.423 0.144 -0.859) 0.968 13.993 ( -0.243 -0.245 0.405) 0.532 15.032 ( 2.016 -1.996 -2.741) 3.944 15.118 ( 2.922 0.138 2.085) 3.592 16.714 ( 0.128 0.538 -0.045) 0.555 16.749 ( -0.841 1.956 -0.530) 2.194 22.233 ( -1.910 -0.457 1.105) 2.253 22.308 ( -1.930 -0.528 -0.770) 2.144 25.096 ( -0.344 0.015 0.282) 0.445 25.107 ( -0.346 -0.115 -0.221) 0.427 25.813 ( 0.777 -1.287 -0.075) 1.506 25.859 ( 0.130 0.586 0.123) 0.612 39.602 ( -1.216 -2.442 2.937) 4.008 39.744 ( -3.789 -1.052 -2.142) 4.478 42.530 ( 0.091 0.076 -0.288) 0.311 42.557 ( 0.126 -0.020 0.159) 0.204 47.919 ( -4.431 4.007 -1.869) 6.259 48.159 ( -10.666 7.772 3.350) 13.616 48.482 ( -8.142 6.133 -1.720) 10.338 48.578 ( -10.041 8.326 0.147) 13.044 ======================= Grid point 21 (15/180) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 10.413 2.253 -1.660) 10.782 2.911 ( 3.780 11.046 7.392) 13.818 3.019 ( -0.185 1.942 -8.624) 8.842 3.429 ( 13.580 0.699 2.758) 13.875 3.527 ( 3.524 3.716 1.746) 5.412 3.698 ( 7.283 -8.880 3.458) 11.994 4.075 ( 9.688 2.017 -1.238) 9.973 4.142 ( -1.464 -0.800 1.905) 2.532 4.190 ( -6.696 3.321 0.089) 7.475 4.392 ( 4.240 -3.298 -2.878) 6.094 4.510 ( -1.475 5.569 0.210) 5.765 4.538 ( 2.062 -1.233 2.555) 3.507 4.689 ( 7.403 0.932 -4.453) 8.689 5.009 ( 5.212 -15.604 0.861) 16.474 5.285 ( -4.983 -7.385 0.984) 8.963 5.469 ( 1.524 -2.446 1.417) 3.211 5.678 ( 6.629 -2.662 -8.394) 11.022 5.864 ( 1.652 7.110 9.079) 11.650 5.984 ( -0.568 4.423 -5.750) 7.277 6.509 ( 0.759 1.854 0.341) 2.032 6.562 ( 4.142 3.642 4.332) 7.013 6.724 ( -2.651 -1.080 -5.694) 6.372 7.190 ( 2.651 -2.195 1.466) 3.741 7.259 ( 2.250 -2.601 1.170) 3.633 7.778 ( -3.520 -2.574 -2.327) 4.943 7.911 ( 0.168 -3.375 2.210) 4.038 10.391 ( -0.107 0.359 0.201) 0.425 10.513 ( 0.493 -0.181 0.173) 0.554 13.932 ( -0.226 0.221 -0.497) 0.589 13.990 ( -0.090 -0.129 0.332) 0.367 15.055 ( 0.701 -0.507 -1.657) 1.870 15.165 ( 1.403 -0.300 1.446) 2.037 16.718 ( 0.181 0.927 -0.362) 1.011 16.735 ( -0.547 1.453 0.073) 1.554 22.204 ( -0.966 -0.328 0.503) 1.137 22.274 ( -1.194 -0.625 -0.415) 1.410 25.091 ( -0.180 0.025 0.166) 0.246 25.101 ( -0.223 -0.103 -0.145) 0.285 25.828 ( 0.558 -0.688 -0.112) 0.893 25.860 ( -0.030 0.019 0.134) 0.139 39.586 ( -0.533 -1.735 1.471) 2.336 39.680 ( -2.215 -1.196 -1.198) 2.788 42.531 ( 0.033 0.082 -0.126) 0.154 42.558 ( 0.048 -0.007 0.074) 0.088 47.854 ( -1.609 5.053 -1.174) 5.432 47.981 ( -6.571 7.549 1.485) 10.118 48.355 ( -4.062 3.744 0.337) 5.534 48.415 ( -5.612 5.573 -0.667) 7.937 ======================= Grid point 22 (16/180) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 0.000 6.122 0.000) 6.122 2.946 ( 0.000 9.090 -0.000) 9.090 3.015 ( 0.000 2.294 0.000) 2.294 3.502 ( 0.000 0.646 -0.000) 0.646 3.682 ( -0.000 4.608 0.000) 4.608 3.826 ( 0.000 -10.958 0.000) 10.958 4.025 ( -0.000 -6.449 -0.000) 6.449 4.078 ( 0.000 4.969 -0.000) 4.969 4.307 ( -0.000 3.675 -0.000) 3.675 4.331 ( 0.000 5.436 -0.000) 5.436 4.480 ( 0.000 1.044 -0.000) 1.044 4.564 ( 0.000 -2.495 -0.000) 2.495 4.802 ( 0.000 -0.522 -0.000) 0.522 5.128 ( -0.000 -21.218 0.000) 21.218 5.165 ( 0.000 -4.175 0.000) 4.175 5.475 ( 0.000 -4.679 -0.000) 4.679 5.765 ( 0.000 -2.200 -0.000) 2.200 5.867 ( 0.000 8.564 0.000) 8.564 5.982 ( 0.000 3.509 -0.000) 3.509 6.518 ( 0.000 1.349 0.000) 1.349 6.615 ( 0.000 4.821 0.000) 4.821 6.689 ( 0.000 -1.324 -0.000) 1.324 7.223 ( 0.000 -2.533 -0.000) 2.533 7.281 ( 0.000 -3.103 0.000) 3.103 7.737 ( -0.000 0.776 -0.000) 0.776 7.914 ( -0.000 -3.922 -0.000) 3.922 10.390 ( 0.000 0.522 -0.000) 0.522 10.518 ( 0.000 -0.389 0.000) 0.389 13.929 ( 0.000 0.246 0.000) 0.246 13.990 ( 0.000 -0.077 0.000) 0.077 15.061 ( -0.000 -0.066 -0.000) 0.066 15.180 ( 0.000 -0.433 0.000) 0.433 16.720 ( 0.000 1.648 -0.000) 1.648 16.728 ( 0.000 0.699 0.000) 0.699 22.194 ( 0.000 -0.235 0.000) 0.235 22.261 ( 0.000 -0.704 -0.000) 0.704 25.089 ( 0.000 0.027 -0.000) 0.027 25.098 ( 0.000 -0.098 -0.000) 0.098 25.834 ( 0.000 -0.281 0.000) 0.281 25.860 ( 0.000 -0.395 0.000) 0.395 39.582 ( 0.000 -1.390 0.000) 1.390 39.655 ( 0.000 -1.359 -0.000) 1.359 42.532 ( 0.000 0.086 -0.000) 0.086 42.559 ( 0.000 -0.003 -0.000) 0.003 47.844 ( 0.000 6.314 0.000) 6.314 47.906 ( 0.000 6.458 -0.000) 6.458 48.314 ( -0.000 3.815 0.000) 3.815 48.354 ( 0.000 3.908 -0.000) 3.908 ======================= Grid point 30 (17/180) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.000 16.511 0.000) 16.511 1.413 ( 0.000 32.043 0.000) 32.043 1.783 ( 0.000 4.333 0.000) 4.333 2.601 ( 0.000 27.172 0.000) 27.172 2.622 ( 0.000 11.454 0.000) 11.454 2.943 ( 0.000 29.443 0.000) 29.443 3.295 ( 0.000 16.337 0.000) 16.337 3.399 ( 0.000 -0.251 0.000) 0.251 3.719 ( 0.000 6.532 0.000) 6.532 3.895 ( 0.000 -6.682 0.000) 6.682 4.004 ( 0.000 4.066 0.000) 4.066 4.021 ( 0.000 1.873 0.000) 1.873 4.187 ( 0.000 4.119 0.000) 4.119 4.421 ( 0.000 0.546 0.000) 0.546 4.514 ( 0.000 -11.450 0.000) 11.450 4.687 ( 0.000 -1.459 0.000) 1.459 4.902 ( 0.000 4.559 0.000) 4.559 5.075 ( 0.000 -1.809 0.000) 1.809 5.886 ( 0.000 3.745 0.000) 3.745 6.156 ( 0.000 -14.658 0.000) 14.658 6.431 ( 0.000 -3.189 0.000) 3.189 6.768 ( 0.000 4.458 0.000) 4.458 7.038 ( 0.000 2.638 0.000) 2.638 7.254 ( 0.000 -6.029 0.000) 6.029 7.897 ( 0.000 0.621 0.000) 0.621 9.100 ( 0.000 -16.932 0.000) 16.932 10.393 ( 0.000 0.280 0.000) 0.280 10.493 ( 0.000 -0.367 0.000) 0.367 13.996 ( 0.000 -0.395 0.000) 0.395 14.018 ( 0.000 -1.822 0.000) 1.822 14.276 ( 0.000 0.408 0.000) 0.408 14.363 ( 0.000 -1.169 0.000) 1.169 16.749 ( 0.000 -1.965 0.000) 1.965 16.785 ( 0.000 2.420 0.000) 2.420 22.291 ( 0.000 1.937 0.000) 1.937 22.528 ( 0.000 -2.391 0.000) 2.391 25.121 ( 0.000 0.021 0.000) 0.021 25.127 ( 0.000 -0.048 0.000) 0.048 25.798 ( 0.000 -1.524 0.000) 1.524 25.825 ( 0.000 1.152 0.000) 1.152 39.566 ( 0.000 2.684 0.000) 2.684 40.071 ( 0.000 -8.840 0.000) 8.840 42.517 ( 0.000 0.423 0.000) 0.423 42.536 ( 0.000 0.056 0.000) 0.056 48.625 ( 0.000 8.667 0.000) 8.667 49.035 ( 0.000 -0.789 0.000) 0.789 50.071 ( 0.000 25.073 0.000) 25.073 51.595 ( 0.000 -4.008 0.000) 4.008 ======================= Grid point 31 (18/180) ======================= q-point: ( 0.07 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 15.495 17.516 -1.965) 23.469 1.521 ( 9.607 29.278 9.470) 32.236 1.970 ( 16.386 5.738 1.495) 17.426 2.372 ( -12.066 33.771 -7.171) 36.572 2.784 ( 10.502 9.275 3.207) 14.374 2.986 ( 4.930 16.131 6.393) 18.039 3.430 ( 5.307 -5.158 1.641) 7.580 3.471 ( 8.779 13.421 -9.542) 18.662 3.706 ( -0.407 9.556 4.634) 10.628 3.857 ( -1.025 -5.060 -4.257) 6.691 3.900 ( -3.733 2.603 1.849) 4.912 4.165 ( 9.707 11.632 0.411) 15.156 4.262 ( -1.810 -4.198 2.116) 5.038 4.496 ( 12.179 0.484 -8.960) 15.127 4.562 ( 5.348 -8.054 -0.367) 9.675 4.812 ( 9.005 -0.989 -2.013) 9.280 4.937 ( 4.044 4.279 1.421) 6.056 5.154 ( 6.834 -3.752 -2.873) 8.309 5.921 ( 3.089 3.340 3.809) 5.934 6.201 ( 3.644 -14.390 7.132) 16.469 6.428 ( 0.027 -2.842 -4.737) 5.524 6.755 ( -0.928 4.186 -1.196) 4.451 7.055 ( 1.423 2.642 2.489) 3.899 7.259 ( 0.354 -6.814 -0.005) 6.823 7.848 ( -4.447 0.171 2.460) 5.085 8.840 ( -21.612 -10.280 -4.249) 24.306 10.392 ( -0.049 0.159 0.306) 0.348 10.494 ( 0.042 -0.130 0.307) 0.336 13.986 ( -0.729 -0.539 -0.011) 0.907 14.021 ( -0.141 -1.532 -0.628) 1.662 14.360 ( 7.374 -1.706 -1.102) 7.649 14.484 ( 10.266 -3.646 -1.617) 11.014 16.770 ( 1.549 -1.528 0.347) 2.204 16.778 ( -0.477 1.792 0.958) 2.087 22.308 ( 1.145 0.865 2.922) 3.256 22.504 ( -2.128 -2.008 -0.372) 2.950 25.118 ( -0.226 0.021 -0.182) 0.291 25.127 ( -0.073 -0.023 0.179) 0.195 25.777 ( -1.397 -0.732 0.700) 1.726 25.836 ( 0.734 0.463 -1.096) 1.398 39.576 ( 0.552 1.196 3.416) 3.661 40.042 ( -2.628 -7.880 -0.935) 8.359 42.516 ( -0.024 0.228 -0.423) 0.481 42.540 ( 0.322 0.190 0.342) 0.507 48.582 ( -4.059 8.636 0.274) 9.546 48.988 ( -4.498 -0.665 0.041) 4.547 49.986 ( -8.069 24.396 0.231) 25.697 51.148 ( -36.852 12.508 -3.569) 39.081 ======================= Grid point 32 (19/180) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 9.058 28.172 -0.665) 29.600 1.781 ( 14.203 24.783 9.593) 30.133 2.250 ( 8.964 23.252 2.747) 25.071 2.441 ( 22.736 2.640 -0.276) 22.890 3.027 ( 10.947 8.211 4.299) 14.344 3.132 ( 7.828 8.048 0.525) 11.239 3.535 ( 2.745 -1.566 -10.137) 10.618 3.575 ( 6.335 -2.687 -2.167) 7.215 3.724 ( 0.361 5.739 7.238) 9.244 3.886 ( 3.338 1.618 1.031) 3.850 3.953 ( 8.412 0.426 -2.874) 8.900 4.201 ( -0.821 -4.193 -0.932) 4.373 4.372 ( 9.081 20.584 0.419) 22.502 4.631 ( 4.949 -9.546 -7.587) 13.159 4.844 ( 15.679 0.192 -3.622) 16.093 5.004 ( 9.510 1.354 -0.220) 9.608 5.056 ( 6.577 1.214 3.114) 7.377 5.315 ( 8.435 -3.034 -4.210) 9.903 6.015 ( 5.308 1.465 6.287) 8.358 6.293 ( 3.907 -10.430 10.507) 15.312 6.420 ( -0.394 -1.543 -9.981) 10.107 6.746 ( 0.647 2.277 -0.882) 2.526 7.094 ( 1.857 2.850 3.318) 4.752 7.252 ( -1.742 -7.750 0.053) 7.944 7.751 ( -3.969 -1.241 2.205) 4.707 8.351 ( -22.923 -6.640 -3.860) 24.175 10.391 ( -0.109 -0.174 0.389) 0.440 10.495 ( 0.057 0.449 0.456) 0.642 13.971 ( -0.630 -0.411 -0.491) 0.898 14.012 ( -0.577 -1.092 -0.669) 1.405 14.543 ( 9.717 -2.706 0.281) 10.091 14.708 ( 10.473 -5.545 -3.281) 12.296 16.761 ( -0.849 1.921 -0.721) 2.220 16.804 ( 1.044 -1.197 1.699) 2.325 22.327 ( 0.029 -0.319 3.503) 3.518 22.448 ( -3.051 -1.375 -0.978) 3.486 25.113 ( -0.160 -0.063 -0.141) 0.223 25.124 ( -0.214 0.014 0.217) 0.306 25.755 ( -0.633 -0.727 0.328) 1.018 25.849 ( 0.615 0.324 -0.611) 0.926 39.586 ( -0.050 -0.969 4.354) 4.460 39.970 ( -4.008 -6.016 -1.648) 7.414 42.518 ( 0.229 0.017 -0.463) 0.517 42.547 ( 0.236 0.283 0.300) 0.475 48.467 ( -6.831 8.414 0.102) 10.838 48.856 ( -8.051 -0.278 0.326) 8.063 49.753 ( -13.999 22.497 0.241) 26.498 50.334 ( -37.735 26.659 -3.011) 46.300 ======================= Grid point 33 (20/180) ======================= q-point: ( 0.21 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 8.305 29.141 -1.246) 30.327 2.146 ( 19.435 16.905 10.290) 27.738 2.575 ( 18.811 11.744 3.278) 22.417 2.941 ( 23.373 1.018 4.653) 23.853 3.177 ( 2.410 6.152 3.592) 7.520 3.281 ( 7.640 3.273 -9.418) 12.561 3.601 ( 5.323 0.006 -2.866) 6.045 3.724 ( -0.503 -1.791 6.982) 7.225 3.755 ( 9.891 1.745 -2.021) 10.246 4.009 ( 8.296 1.090 -0.858) 8.411 4.122 ( 8.175 0.263 -0.956) 8.234 4.245 ( 4.192 -5.901 -4.817) 8.695 4.577 ( 11.073 19.137 0.805) 22.125 4.712 ( 3.111 -7.850 -8.927) 12.288 5.067 ( 4.813 0.864 3.382) 5.945 5.166 ( 7.324 -3.877 -1.560) 8.433 5.258 ( 11.369 0.596 2.854) 11.737 5.483 ( 8.211 2.369 -2.399) 8.877 6.134 ( 5.089 -1.146 5.907) 7.881 6.364 ( 0.283 -2.362 1.981) 3.095 6.404 ( 2.123 0.945 -5.073) 5.580 6.790 ( 3.479 -1.191 -0.205) 3.683 7.131 ( 1.354 3.300 2.415) 4.308 7.163 ( -6.687 -5.919 -1.202) 9.011 7.727 ( 1.501 -4.480 0.050) 4.725 7.943 ( -15.612 -10.162 -0.018) 18.628 10.389 ( -0.097 -0.427 0.311) 0.537 10.498 ( 0.135 0.805 0.635) 1.034 13.960 ( -0.414 -0.170 -0.744) 0.868 13.999 ( -0.569 -0.878 -0.316) 1.093 14.739 ( 8.871 -2.805 -0.053) 9.304 14.894 ( 7.698 -3.767 -1.888) 8.776 16.744 ( -0.652 1.530 -0.483) 1.732 16.814 ( -0.076 0.165 0.668) 0.692 22.311 ( -1.792 -0.590 2.726) 3.315 22.386 ( -2.658 -1.056 -1.306) 3.144 25.110 ( -0.244 -0.097 0.017) 0.263 25.119 ( -0.303 -0.004 0.096) 0.318 25.753 ( 0.356 -0.919 0.148) 0.996 25.860 ( 0.448 0.294 -0.198) 0.571 39.581 ( -0.754 -1.994 3.689) 4.261 39.880 ( -4.410 -4.399 -1.894) 6.511 42.523 ( 0.319 -0.033 -0.460) 0.561 42.551 ( 0.162 0.238 0.283) 0.404 48.313 ( -7.694 7.949 -0.390) 11.069 48.668 ( -9.868 0.475 0.887) 9.919 49.430 ( -16.759 19.798 0.069) 25.939 49.642 ( -29.071 25.500 -1.617) 38.703 ======================= Grid point 34 (21/180) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 18.188 15.668 -1.973) 24.086 2.563 ( 19.322 11.697 10.693) 24.990 2.939 ( 15.180 9.511 1.325) 17.962 3.174 ( -1.090 3.734 -1.370) 4.124 3.319 ( 10.187 -0.897 2.859) 10.619 3.472 ( 10.623 2.994 -5.362) 12.271 3.671 ( 3.692 -0.509 8.464) 9.248 3.802 ( 8.313 0.143 0.432) 8.325 3.976 ( 11.098 0.598 -2.294) 11.348 4.197 ( 9.155 0.660 0.165) 9.180 4.302 ( 6.588 -0.667 -6.081) 8.990 4.313 ( 4.844 -4.037 0.152) 6.307 4.719 ( -1.302 -6.000 -9.646) 11.434 4.806 ( 8.770 11.454 0.858) 14.451 5.128 ( 2.202 -2.314 3.151) 4.487 5.278 ( 3.765 -7.387 -1.171) 8.373 5.444 ( 5.334 0.831 4.272) 6.884 5.665 ( 9.298 3.349 1.827) 10.050 6.186 ( -1.090 0.568 -4.816) 4.971 6.383 ( 4.581 3.575 1.430) 5.984 6.481 ( 3.611 1.457 -0.033) 3.894 6.865 ( 1.935 -1.855 -0.209) 2.689 7.012 ( -5.423 -5.448 -3.568) 8.475 7.156 ( 1.097 2.262 1.930) 3.169 7.713 ( -5.883 -14.989 2.319) 16.268 7.791 ( 2.953 -2.222 0.131) 3.698 10.389 ( 0.075 -0.354 0.264) 0.447 10.501 ( 0.141 0.599 0.662) 0.904 13.952 ( -0.335 0.093 -0.879) 0.946 13.989 ( -0.318 -0.683 0.187) 0.777 14.896 ( 6.285 -2.234 -1.271) 6.790 15.025 ( 5.180 -1.775 0.337) 5.486 16.735 ( -0.217 1.303 -0.235) 1.342 16.806 ( -0.684 1.129 -0.011) 1.320 22.266 ( -2.448 -0.554 1.457) 2.902 22.336 ( -2.198 -0.987 -0.881) 2.565 25.103 ( -0.357 -0.021 0.165) 0.394 25.112 ( -0.358 -0.079 -0.083) 0.376 25.768 ( 0.960 -0.917 0.045) 1.328 25.867 ( 0.150 0.197 0.016) 0.248 39.565 ( -0.926 -2.186 2.667) 3.570 39.788 ( -4.250 -3.276 -1.720) 5.635 42.529 ( 0.248 0.037 -0.423) 0.491 42.554 ( 0.131 0.118 0.291) 0.341 48.162 ( -6.622 7.549 -0.796) 10.073 48.465 ( -9.540 1.875 1.435) 9.827 49.076 ( -17.754 18.385 -0.734) 25.569 49.126 ( -20.422 17.497 -0.274) 26.894 ======================= Grid point 35 (22/180) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 21.125 7.110 -2.945) 22.483 2.930 ( 13.887 7.122 7.101) 17.146 3.151 ( 1.817 10.022 -3.480) 10.763 3.190 ( 6.993 1.721 2.271) 7.551 3.470 ( 6.729 1.737 1.019) 7.024 3.548 ( 0.648 -1.191 6.729) 6.865 3.895 ( 12.347 4.081 -1.389) 13.078 4.000 ( 8.777 -4.417 2.848) 10.230 4.173 ( 7.506 -1.016 -2.638) 8.021 4.345 ( 2.343 -3.495 2.313) 4.801 4.371 ( 7.826 -2.570 -2.761) 8.688 4.471 ( 5.236 2.555 -0.913) 5.897 4.651 ( -2.497 -4.620 -7.785) 9.391 4.874 ( -2.326 4.497 -0.881) 5.139 5.161 ( -0.788 -7.255 4.102) 8.372 5.380 ( 7.372 -4.898 -3.778) 9.623 5.500 ( 0.651 -0.376 3.254) 3.340 5.833 ( 5.902 -0.581 5.466) 8.065 6.136 ( -1.811 4.756 -7.814) 9.325 6.523 ( 4.204 1.449 -0.081) 4.448 6.539 ( 5.342 5.406 1.491) 7.745 6.771 ( -7.219 -3.369 -4.669) 9.234 7.038 ( 4.550 -5.620 1.129) 7.319 7.186 ( 1.693 0.824 1.537) 2.431 7.665 ( 0.548 -9.123 1.814) 9.317 7.844 ( 1.584 -2.376 0.027) 2.856 10.393 ( 0.287 -0.005 0.259) 0.387 10.504 ( 0.041 -0.021 0.492) 0.494 13.944 ( -0.276 0.307 -0.804) 0.904 13.986 ( -0.054 -0.439 0.460) 0.639 14.996 ( 3.616 -1.104 -1.795) 4.185 15.110 ( 2.982 -0.931 1.420) 3.432 16.735 ( 0.187 1.254 -0.086) 1.271 16.789 ( -0.853 1.612 -0.225) 1.837 22.222 ( -1.799 -0.491 0.720) 1.999 22.292 ( -1.984 -0.990 -0.545) 2.283 25.096 ( -0.315 0.029 0.199) 0.374 25.104 ( -0.353 -0.120 -0.159) 0.405 25.790 ( 1.149 -0.782 -0.033) 1.390 25.866 ( -0.234 -0.015 0.101) 0.256 39.551 ( -0.600 -2.055 1.742) 2.760 39.705 ( -3.577 -2.578 -1.308) 4.599 42.532 ( 0.139 0.125 -0.315) 0.367 42.557 ( 0.087 0.019 0.240) 0.256 48.050 ( -3.924 7.667 -0.857) 8.655 48.289 ( -7.538 4.408 1.507) 8.861 48.717 ( -15.106 14.352 -0.851) 20.854 48.790 ( -13.529 11.138 0.087) 17.524 ======================= Grid point 36 (23/180) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 15.155 6.009 -3.543) 16.684 3.072 ( 1.536 3.675 -3.236) 5.131 3.180 ( 0.051 12.371 4.017) 13.007 3.377 ( 10.513 -5.320 6.257) 13.340 3.555 ( 1.670 -1.419 3.403) 4.048 3.652 ( 7.864 4.587 1.060) 9.166 4.015 ( -3.208 -3.850 -3.377) 6.043 4.150 ( 9.604 0.279 -0.248) 9.611 4.312 ( 2.391 -2.253 -0.567) 3.334 4.341 ( -1.929 6.070 -2.398) 6.806 4.457 ( 0.972 -7.791 5.095) 9.359 4.562 ( 5.059 -2.524 1.603) 5.877 4.697 ( 5.636 -0.625 -6.690) 8.770 4.775 ( -4.441 -1.571 -1.873) 5.070 5.094 ( -5.423 -9.692 3.443) 11.627 5.456 ( -1.045 0.304 1.595) 1.931 5.575 ( 6.841 -5.449 -4.851) 10.001 5.913 ( 1.700 -2.340 5.238) 5.984 6.114 ( -0.058 7.037 -3.535) 7.875 6.539 ( 0.129 -0.245 -1.350) 1.378 6.641 ( -4.526 -5.765 -3.407) 8.083 6.690 ( 5.812 7.200 1.721) 9.412 7.118 ( 2.717 -4.619 1.119) 5.475 7.224 ( 1.605 -0.233 0.786) 1.802 7.711 ( 3.098 -3.056 0.106) 4.353 7.850 ( -0.959 -1.803 0.443) 2.089 10.400 ( 0.292 0.423 0.183) 0.546 10.504 ( -0.045 -0.695 0.240) 0.737 13.939 ( -0.148 0.454 -0.472) 0.671 13.986 ( 0.041 -0.239 0.350) 0.426 15.047 ( 1.582 -0.118 -1.181) 1.978 15.154 ( 1.250 -0.811 1.055) 1.826 16.741 ( 0.426 1.285 -0.051) 1.355 16.772 ( -0.764 1.823 -0.138) 1.981 22.196 ( -0.798 -0.379 0.346) 0.949 22.256 ( -1.322 -1.050 -0.308) 1.716 25.091 ( -0.174 0.038 0.132) 0.222 25.098 ( -0.219 -0.129 -0.118) 0.280 25.813 ( 1.025 -0.586 -0.080) 1.183 25.858 ( -0.544 -0.317 0.116) 0.640 39.545 ( -0.067 -1.859 0.947) 2.087 39.642 ( -2.272 -2.234 -0.784) 3.281 42.534 ( 0.057 0.178 -0.165) 0.249 42.558 ( 0.036 -0.030 0.132) 0.140 48.005 ( -0.301 8.552 -0.586) 8.577 48.156 ( -5.479 8.011 0.869) 9.744 48.483 ( -7.076 8.119 -0.007) 10.770 48.560 ( -8.491 7.698 -0.306) 11.465 ======================= Grid point 37 (24/180) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 0.000 7.615 0.000) 7.615 3.080 ( 0.000 3.851 0.000) 3.851 3.172 ( 0.000 10.260 -0.000) 10.260 3.501 ( 0.000 -2.923 -0.000) 2.923 3.617 ( 0.000 -5.949 0.000) 5.949 3.732 ( -0.000 -2.060 0.000) 2.060 3.954 ( -0.000 1.621 0.000) 1.621 4.204 ( 0.000 5.961 -0.000) 5.961 4.345 ( -0.000 -2.131 -0.000) 2.131 4.358 ( 0.000 0.590 0.000) 0.590 4.471 ( 0.000 -7.425 -0.000) 7.425 4.558 ( 0.000 3.774 -0.000) 3.774 4.745 ( 0.000 -10.837 0.000) 10.837 4.809 ( 0.000 0.701 0.000) 0.701 5.001 ( 0.000 -10.297 -0.000) 10.297 5.438 ( 0.000 0.594 -0.000) 0.594 5.655 ( 0.000 -6.470 0.000) 6.470 5.930 ( 0.000 -1.889 -0.000) 1.889 6.113 ( 0.000 7.767 -0.000) 7.767 6.539 ( 0.000 0.526 0.000) 0.526 6.590 ( 0.000 -7.657 0.000) 7.657 6.753 ( 0.000 6.758 0.000) 6.758 7.148 ( 0.000 -4.367 -0.000) 4.367 7.243 ( 0.000 -0.310 -0.000) 0.310 7.758 ( 0.000 1.315 -0.000) 1.315 7.826 ( -0.000 -3.488 -0.000) 3.488 10.403 ( 0.000 0.633 -0.000) 0.633 10.504 ( 0.000 -1.001 0.000) 1.001 13.937 ( 0.000 0.509 0.000) 0.509 13.987 ( 0.000 -0.165 0.000) 0.165 15.063 ( -0.000 0.245 -0.000) 0.245 15.167 ( 0.000 -0.835 0.000) 0.835 16.748 ( 0.000 1.163 0.000) 1.163 16.761 ( 0.000 2.029 0.000) 2.029 22.188 ( 0.000 -0.295 0.000) 0.295 22.241 ( 0.000 -1.109 0.000) 1.109 25.089 ( 0.000 0.038 -0.000) 0.038 25.096 ( 0.000 -0.130 -0.000) 0.130 25.827 ( 0.000 -0.354 0.000) 0.354 25.849 ( 0.000 -0.604 0.000) 0.604 39.547 ( 0.000 -1.743 0.000) 1.743 39.617 ( 0.000 -2.165 -0.000) 2.165 42.535 ( 0.000 0.194 -0.000) 0.194 42.559 ( 0.000 -0.043 -0.000) 0.043 48.019 ( 0.000 9.594 0.000) 9.594 48.081 ( 0.000 9.373 -0.000) 9.373 48.420 ( -0.000 5.865 0.000) 5.865 48.461 ( 0.000 5.730 -0.000) 5.730 ======================= Grid point 45 (25/180) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 14.044 0.000) 14.044 1.818 ( 0.000 -1.120 0.000) 1.120 2.078 ( 0.000 30.684 0.000) 30.684 2.824 ( 0.000 4.452 0.000) 4.452 2.845 ( 0.000 9.707 0.000) 9.707 3.225 ( 0.000 0.665 0.000) 0.665 3.394 ( 0.000 -0.435 0.000) 0.435 3.695 ( 0.000 -0.074 0.000) 0.074 3.719 ( 0.000 -4.418 0.000) 4.418 3.917 ( 0.000 6.904 0.000) 6.904 4.074 ( 0.000 -3.215 0.000) 3.215 4.210 ( 0.000 -0.192 0.000) 0.192 4.348 ( 0.000 16.744 0.000) 16.744 4.457 ( 0.000 3.201 0.000) 3.201 4.507 ( 0.000 29.227 0.000) 29.227 4.649 ( 0.000 -1.711 0.000) 1.711 4.997 ( 0.000 4.771 0.000) 4.771 5.024 ( 0.000 -2.072 0.000) 2.072 5.891 ( 0.000 -9.151 0.000) 9.151 5.902 ( 0.000 -2.733 0.000) 2.733 6.431 ( 0.000 3.083 0.000) 3.083 6.873 ( 0.000 5.450 0.000) 5.450 7.049 ( 0.000 -5.873 0.000) 5.873 7.116 ( 0.000 -3.872 0.000) 3.872 7.865 ( 0.000 -1.847 0.000) 1.847 8.683 ( 0.000 -21.891 0.000) 21.891 10.412 ( 0.000 1.467 0.000) 1.467 10.487 ( 0.000 -0.306 0.000) 0.306 13.982 ( 0.000 -1.373 0.000) 1.373 13.983 ( 0.000 -0.804 0.000) 0.804 14.285 ( 0.000 0.462 0.000) 0.462 14.337 ( 0.000 -1.206 0.000) 1.206 16.731 ( 0.000 0.355 0.000) 0.355 16.814 ( 0.000 0.231 0.000) 0.231 22.335 ( 0.000 2.165 0.000) 2.165 22.477 ( 0.000 -2.379 0.000) 2.379 25.122 ( 0.000 0.047 0.000) 0.047 25.126 ( 0.000 -0.068 0.000) 0.068 25.780 ( 0.000 -0.125 0.000) 0.125 25.836 ( 0.000 -0.222 0.000) 0.222 39.623 ( 0.000 2.702 0.000) 2.702 39.897 ( 0.000 -7.330 0.000) 7.330 42.526 ( 0.000 0.387 0.000) 0.387 42.537 ( 0.000 0.023 0.000) 0.023 48.800 ( 0.000 7.494 0.000) 7.494 49.025 ( 0.000 -0.511 0.000) 0.511 50.584 ( 0.000 22.612 0.000) 22.612 51.482 ( 0.000 -6.823 0.000) 6.823 ======================= Grid point 46 (26/180) ======================= q-point: ( 0.07 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 16.931 13.631 -2.108) 21.838 1.984 ( 14.371 1.380 4.472) 15.114 2.165 ( 8.478 26.420 1.336) 27.779 2.833 ( -0.670 10.856 0.101) 10.877 2.947 ( 10.076 6.941 -2.164) 12.425 3.236 ( 1.264 1.301 -1.890) 2.620 3.424 ( 3.081 1.300 -1.136) 3.532 3.712 ( -1.403 -5.922 -3.800) 7.175 3.728 ( 2.123 2.926 -1.672) 3.984 3.816 ( -4.678 11.560 2.027) 12.634 4.005 ( -4.053 2.559 0.477) 4.817 4.170 ( -4.693 0.999 7.187) 8.642 4.324 ( 1.577 -3.765 0.772) 4.154 4.580 ( 10.812 3.582 -5.284) 12.556 4.662 ( 10.038 20.670 0.035) 22.979 4.810 ( 12.190 2.819 -2.783) 12.818 5.040 ( 3.784 6.020 2.378) 7.497 5.077 ( 5.084 -2.743 0.243) 5.782 5.914 ( 2.255 -4.410 6.720) 8.348 5.955 ( 4.808 -7.225 -1.558) 8.817 6.436 ( 0.684 3.328 -3.680) 5.009 6.861 ( -0.922 5.699 -1.398) 5.940 7.057 ( 0.376 -7.340 4.634) 8.689 7.119 ( 0.356 -2.812 -1.402) 3.162 7.799 ( -6.005 -2.714 0.814) 6.640 8.524 ( -14.131 -18.208 -3.177) 23.266 10.409 ( -0.300 1.375 0.373) 1.456 10.490 ( 0.268 -0.326 0.299) 0.517 13.971 ( -0.542 -0.740 0.208) 0.940 13.989 ( 0.056 -1.353 -0.588) 1.477 14.346 ( 5.971 0.189 -0.780) 6.025 14.428 ( 7.815 -2.148 0.041) 8.105 16.748 ( 1.427 -0.047 1.397) 1.998 16.807 ( -0.654 0.360 -0.464) 0.879 22.337 ( -0.006 1.649 1.179) 2.028 22.460 ( -1.587 -2.139 -0.434) 2.698 25.119 ( -0.207 0.091 -0.119) 0.256 25.126 ( -0.047 -0.072 0.113) 0.143 25.769 ( -0.851 0.212 0.415) 0.970 25.840 ( 0.372 -0.394 -0.601) 0.809 39.616 ( -0.737 2.353 0.925) 2.633 39.881 ( -1.457 -6.950 -0.504) 7.119 42.523 ( -0.160 0.400 -0.217) 0.482 42.542 ( 0.365 -0.028 0.161) 0.400 48.757 ( -4.120 7.485 0.376) 8.552 48.980 ( -4.284 -0.434 -0.177) 4.309 50.484 ( -9.440 21.894 0.128) 23.843 51.247 ( -21.268 -1.040 -1.243) 21.330 ======================= Grid point 47 (27/180) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 20.638 15.559 -2.145) 25.935 2.292 ( 12.386 19.338 8.820) 24.600 2.469 ( 20.941 3.947 -0.188) 21.311 2.792 ( -1.974 19.869 0.063) 19.967 3.194 ( 11.985 7.777 -4.587) 15.005 3.291 ( 4.478 -1.846 -0.900) 4.926 3.519 ( 3.598 6.204 1.983) 7.441 3.580 ( -2.933 2.380 -7.072) 8.017 3.789 ( 0.758 6.579 5.888) 8.861 3.862 ( 6.740 -4.080 1.303) 7.986 3.992 ( 3.842 2.732 -6.931) 8.383 4.098 ( -1.950 -1.351 5.531) 6.018 4.395 ( 4.873 -10.072 -4.203) 11.952 4.782 ( 8.281 9.292 -0.055) 12.446 4.895 ( 11.489 5.243 -2.250) 12.828 5.043 ( 10.142 0.672 1.291) 10.246 5.102 ( 1.605 3.686 3.085) 5.067 5.260 ( 11.316 -1.352 0.252) 11.399 5.997 ( 5.053 -1.132 6.556) 8.354 6.087 ( 7.624 -8.843 1.265) 11.744 6.451 ( 1.198 3.990 -7.171) 8.293 6.840 ( -0.699 5.928 -1.950) 6.279 7.057 ( -1.256 -10.446 3.345) 11.040 7.133 ( 1.166 -0.480 0.885) 1.541 7.649 ( -7.680 -5.365 1.170) 9.441 8.164 ( -18.403 -10.728 -4.116) 21.696 10.402 ( -0.402 1.199 0.519) 1.367 10.497 ( 0.268 -0.401 0.585) 0.758 13.962 ( -0.354 -0.409 -0.177) 0.569 13.985 ( -0.305 -1.250 -0.515) 1.386 14.511 ( 9.336 -0.270 -0.616) 9.361 14.622 ( 10.208 -3.182 -0.368) 10.699 16.782 ( 1.286 -0.509 2.107) 2.521 16.790 ( -0.668 0.596 -1.048) 1.378 22.332 ( -0.761 0.674 1.670) 1.955 22.415 ( -2.515 -1.626 -0.807) 3.102 25.114 ( -0.214 0.121 -0.118) 0.273 25.124 ( -0.190 -0.063 0.136) 0.242 25.754 ( -0.537 0.648 0.269) 0.884 25.848 ( 0.440 -0.642 -0.416) 0.883 39.596 ( -1.231 1.571 1.396) 2.436 39.838 ( -2.551 -6.046 -0.834) 6.615 42.522 ( 0.112 0.383 -0.218) 0.454 42.549 ( 0.248 -0.089 0.126) 0.292 48.639 ( -7.081 7.408 0.461) 10.258 48.855 ( -7.596 -0.191 -0.169) 7.600 50.210 ( -16.535 19.888 0.122) 25.864 50.691 ( -30.293 8.498 -1.374) 31.492 ======================= Grid point 48 (28/180) ======================= q-point: ( 0.21 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 10.483 25.914 -1.847) 28.015 2.528 ( 11.330 19.321 5.709) 23.114 2.858 ( 9.543 13.531 2.438) 16.736 2.924 ( 20.821 -2.422 1.518) 21.016 3.327 ( -1.539 2.286 1.283) 3.040 3.382 ( 6.762 4.297 -5.584) 9.765 3.557 ( 6.255 1.576 2.351) 6.866 3.707 ( 7.955 3.141 -0.953) 8.605 3.823 ( 3.555 5.401 4.527) 7.893 4.021 ( 8.511 -1.218 3.273) 9.199 4.100 ( 2.793 -5.620 -5.165) 8.128 4.129 ( 7.669 1.686 -6.118) 9.954 4.506 ( 6.197 -9.291 -7.995) 13.735 4.938 ( 6.590 11.405 3.336) 13.588 5.048 ( 3.074 -4.556 -1.402) 5.672 5.114 ( -0.138 0.494 4.474) 4.504 5.267 ( 10.708 -0.252 4.474) 11.608 5.480 ( 9.204 -3.018 0.301) 9.690 6.121 ( 5.888 0.493 3.701) 6.972 6.259 ( 8.735 -6.683 1.291) 11.074 6.469 ( 1.086 4.056 -7.775) 8.837 6.835 ( 0.387 4.170 -2.984) 5.143 6.993 ( -5.343 -10.148 0.427) 11.477 7.164 ( 1.397 -0.267 3.027) 3.344 7.516 ( -5.012 -8.553 0.897) 9.954 7.845 ( -10.068 -3.281 -2.231) 10.822 10.395 ( -0.253 1.034 0.518) 1.184 10.501 ( 0.045 -0.581 0.730) 0.934 13.957 ( -0.143 -0.129 -0.431) 0.472 13.978 ( -0.303 -0.979 -0.259) 1.057 14.706 ( 9.146 -0.292 -0.732) 9.180 14.824 ( 8.946 -3.007 -0.057) 9.438 16.772 ( -0.657 1.000 -0.376) 1.254 16.808 ( 0.734 -0.551 1.009) 1.364 22.305 ( -1.957 0.050 1.418) 2.418 22.361 ( -2.495 -1.264 -0.888) 2.935 25.110 ( -0.246 0.095 -0.047) 0.268 25.118 ( -0.330 -0.054 0.088) 0.345 25.751 ( 0.289 0.766 0.129) 0.829 25.856 ( 0.336 -0.806 -0.130) 0.883 39.570 ( -1.379 0.779 1.406) 2.118 39.777 ( -3.174 -5.001 -0.941) 5.997 42.526 ( 0.282 0.322 -0.223) 0.483 42.553 ( 0.129 -0.096 0.129) 0.206 48.479 ( -8.075 7.212 0.244) 10.829 48.679 ( -9.058 0.262 0.051) 9.062 49.826 ( -20.055 16.946 0.034) 26.256 50.059 ( -29.837 13.357 -0.900) 32.703 ======================= Grid point 49 (29/180) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 6.427 28.590 -2.697) 29.428 2.800 ( 13.289 10.460 5.506) 17.786 3.100 ( 9.994 4.518 0.694) 10.990 3.236 ( 6.774 -0.358 -0.530) 6.804 3.336 ( 6.725 1.537 4.994) 8.516 3.510 ( 3.846 1.753 5.486) 6.926 3.721 ( 10.705 4.814 1.548) 11.840 3.848 ( 6.776 5.168 -1.728) 8.695 3.974 ( 9.451 0.389 0.301) 9.464 4.118 ( -0.652 -7.154 -4.377) 8.412 4.208 ( 8.562 -1.134 2.297) 8.937 4.316 ( 10.199 0.719 -9.425) 13.906 4.613 ( 4.012 -5.259 -8.368) 10.667 4.984 ( -2.661 -1.672 2.104) 3.782 5.088 ( -2.221 -1.166 6.754) 7.205 5.148 ( 7.455 0.772 -1.960) 7.747 5.442 ( 4.835 -1.287 6.772) 8.420 5.636 ( 6.082 -5.201 1.584) 8.158 6.217 ( 2.953 2.331 -4.281) 5.700 6.450 ( 9.464 -1.644 1.153) 9.675 6.481 ( 0.610 0.607 -4.771) 4.848 6.826 ( -4.662 -11.331 -4.011) 12.892 6.880 ( -0.737 3.671 1.383) 3.992 7.185 ( 0.364 -0.373 2.027) 2.093 7.470 ( 1.298 -4.490 1.768) 4.997 7.764 ( 0.716 -1.768 -0.611) 2.003 10.393 ( 0.077 0.867 0.467) 0.988 10.499 ( -0.239 -0.837 0.682) 1.106 13.954 ( -0.087 0.125 -0.643) 0.661 13.974 ( -0.034 -0.684 0.163) 0.704 14.873 ( 6.978 0.020 -0.995) 7.048 14.982 ( 6.248 -2.264 0.537) 6.667 16.763 ( -0.185 1.258 -0.233) 1.293 16.816 ( -0.001 -0.110 0.437) 0.451 22.259 ( -2.377 -0.052 0.753) 2.494 22.312 ( -2.230 -1.241 -0.558) 2.612 25.104 ( -0.320 0.074 0.040) 0.331 25.111 ( -0.409 -0.065 -0.004) 0.414 25.764 ( 0.882 0.621 0.059) 1.080 25.860 ( 0.047 -0.860 0.026) 0.861 39.544 ( -1.192 0.144 1.169) 1.676 39.709 ( -3.313 -4.013 -0.869) 5.276 42.532 ( 0.279 0.281 -0.243) 0.465 42.555 ( 0.066 -0.095 0.173) 0.208 48.321 ( -6.795 7.019 -0.057) 9.770 48.497 ( -8.128 1.027 0.339) 8.199 49.407 ( -20.045 13.486 -0.044) 24.159 49.481 ( -25.735 13.573 -0.493) 29.099 ======================= Grid point 50 (30/180) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 11.450 17.849 -3.264) 21.456 3.048 ( 9.493 4.441 1.535) 10.593 3.187 ( 1.659 -0.901 3.374) 3.866 3.373 ( 4.780 6.694 2.422) 8.575 3.473 ( 3.729 -1.202 5.601) 6.835 3.601 ( 6.799 5.245 5.554) 10.227 3.943 ( 7.286 -0.164 -0.438) 7.301 4.011 ( 6.938 5.734 -3.809) 9.774 4.079 ( 1.535 -9.464 -2.038) 9.801 4.170 ( 8.566 -1.756 0.753) 8.777 4.361 ( 5.763 -1.414 0.831) 5.992 4.511 ( 9.186 0.593 -8.358) 12.434 4.620 ( -2.881 -1.092 -3.462) 4.634 4.898 ( -5.284 -5.990 -2.348) 8.325 5.027 ( -3.711 -2.067 6.459) 7.730 5.317 ( 8.002 -0.443 -2.299) 8.337 5.491 ( 0.464 -0.878 3.953) 4.076 5.740 ( 3.739 -6.909 4.590) 9.098 6.243 ( 0.717 5.168 -8.437) 9.920 6.471 ( -0.934 -4.074 -4.017) 5.797 6.625 ( 4.184 -2.712 2.670) 5.656 6.716 ( -1.261 -0.990 -0.852) 1.816 6.941 ( 4.444 -0.801 0.824) 4.590 7.195 ( 0.737 -0.738 1.360) 1.714 7.558 ( 6.089 0.035 1.377) 6.243 7.806 ( 2.305 -1.736 -0.396) 2.912 10.399 ( 0.418 0.692 0.378) 0.892 10.493 ( -0.459 -1.086 0.498) 1.280 13.952 ( -0.065 0.374 -0.618) 0.726 13.976 ( 0.186 -0.451 0.370) 0.612 14.989 ( 4.342 0.404 -1.029) 4.481 15.082 ( 3.485 -1.618 0.817) 3.928 16.763 ( 0.218 1.375 -0.086) 1.395 16.811 ( -0.381 0.443 0.068) 0.589 22.216 ( -1.736 -0.030 0.361) 1.773 22.268 ( -1.989 -1.249 -0.331) 2.372 25.097 ( -0.304 0.060 0.094) 0.324 25.102 ( -0.380 -0.083 -0.074) 0.396 25.785 ( 1.063 0.335 0.006) 1.115 25.857 ( -0.342 -0.817 0.082) 0.889 39.525 ( -0.726 -0.359 0.845) 1.170 39.643 ( -2.915 -3.152 -0.682) 4.347 42.537 ( 0.184 0.276 -0.230) 0.404 42.556 ( 0.030 -0.111 0.188) 0.221 48.212 ( -3.483 7.131 -0.229) 7.940 48.359 ( -5.029 2.324 0.498) 5.562 49.005 ( -20.044 11.610 -0.315) 23.166 49.019 ( -17.192 9.772 -0.052) 19.775 ======================= Grid point 51 (31/180) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 12.556 7.748 -3.861) 15.251 3.155 ( 1.861 3.867 -0.626) 4.337 3.259 ( 3.330 -2.988 3.217) 5.510 3.377 ( -2.544 0.846 7.518) 7.981 3.566 ( 4.308 2.284 1.124) 5.004 3.738 ( 3.394 5.415 3.136) 7.119 3.940 ( -1.100 -4.755 -5.732) 7.528 4.140 ( 8.486 -0.917 -1.051) 8.600 4.239 ( 6.647 -1.421 2.516) 7.248 4.294 ( 1.920 -4.205 2.353) 5.187 4.408 ( -2.347 -1.610 -1.578) 3.254 4.560 ( -0.164 -0.601 0.851) 1.055 4.672 ( 6.505 -0.609 -7.068) 9.625 4.773 ( -5.137 -2.485 -3.445) 6.666 4.953 ( -4.212 -0.327 4.921) 6.486 5.433 ( 2.362 -3.757 0.670) 4.488 5.511 ( 2.230 0.085 -2.229) 3.154 5.804 ( 2.080 -7.027 4.481) 8.590 6.250 ( 0.787 4.838 -5.822) 7.610 6.454 ( 0.120 -3.543 -2.478) 4.325 6.578 ( -4.076 -2.008 1.858) 4.910 6.803 ( 4.245 1.927 0.234) 4.668 7.028 ( 3.324 -2.262 0.993) 4.142 7.219 ( 1.259 -1.130 0.676) 1.822 7.690 ( 6.065 1.541 0.588) 6.285 7.831 ( -0.152 -0.402 -0.282) 0.514 10.409 ( 0.484 0.576 0.222) 0.785 10.483 ( -0.458 -1.280 0.253) 1.383 13.950 ( -0.016 0.580 -0.358) 0.682 13.981 ( 0.169 -0.320 0.267) 0.450 15.053 ( 2.013 0.670 -0.683) 2.229 15.132 ( 1.394 -1.249 0.605) 1.967 16.770 ( 0.365 1.350 -0.021) 1.399 16.802 ( -0.436 0.928 -0.037) 1.026 22.190 ( -0.744 -0.067 0.181) 0.768 22.232 ( -1.324 -1.163 -0.191) 1.772 25.092 ( -0.180 0.041 0.080) 0.201 25.096 ( -0.228 -0.093 -0.072) 0.257 25.806 ( 0.983 0.003 -0.038) 0.983 25.847 ( -0.644 -0.693 0.087) 0.950 39.516 ( -0.142 -0.765 0.492) 0.921 39.591 ( -1.904 -2.483 -0.423) 3.158 42.539 ( 0.083 0.285 -0.144) 0.330 42.557 ( 0.008 -0.131 0.125) 0.182 48.185 ( 0.829 7.818 -0.204) 7.865 48.293 ( -1.684 4.750 0.404) 5.055 48.666 ( -12.073 8.264 -0.040) 14.631 48.716 ( -11.637 6.554 -0.193) 13.357 ======================= Grid point 52 (32/180) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 0.000 5.173 0.000) 5.173 3.172 ( 0.000 4.608 0.000) 4.608 3.263 ( 0.000 -3.283 -0.000) 3.283 3.362 ( 0.000 -6.233 -0.000) 6.233 3.622 ( 0.000 3.194 -0.000) 3.194 3.736 ( -0.000 5.932 0.000) 5.932 3.968 ( -0.000 -3.688 0.000) 3.688 4.269 ( 0.000 -1.614 -0.000) 1.614 4.299 ( -0.000 -1.132 0.000) 1.132 4.307 ( 0.000 -3.810 -0.000) 3.810 4.328 ( 0.000 -2.849 0.000) 2.849 4.573 ( 0.000 -3.531 -0.000) 3.531 4.683 ( 0.000 2.171 0.000) 2.171 4.798 ( 0.000 -6.603 -0.000) 6.603 4.878 ( 0.000 5.972 -0.000) 5.972 5.447 ( 0.000 -1.844 -0.000) 1.844 5.544 ( 0.000 -2.753 0.000) 2.753 5.829 ( 0.000 -6.682 -0.000) 6.682 6.258 ( 0.000 3.989 -0.000) 3.989 6.467 ( -0.000 -0.177 0.000) 0.177 6.521 ( 0.000 -2.786 -0.000) 2.786 6.846 ( 0.000 0.869 0.000) 0.869 7.065 ( 0.000 -2.155 0.000) 2.155 7.235 ( 0.000 -1.227 -0.000) 1.227 7.792 ( 0.007 0.314 0.001) 0.314 7.793 ( -0.007 1.837 -0.001) 1.837 10.415 ( 0.000 0.565 -0.000) 0.565 10.478 ( 0.000 -1.381 0.000) 1.381 13.950 ( 0.000 0.660 0.000) 0.660 13.983 ( 0.000 -0.279 0.000) 0.279 15.073 ( -0.000 0.762 -0.000) 0.762 15.146 ( 0.000 -1.139 0.000) 1.139 16.775 ( 0.000 1.258 0.000) 1.258 16.797 ( 0.000 1.183 0.000) 1.183 22.183 ( 0.000 -0.097 0.000) 0.097 22.217 ( 0.000 -1.105 0.000) 1.105 25.090 ( 0.000 0.032 -0.000) 0.032 25.093 ( 0.000 -0.097 -0.000) 0.097 25.821 ( 0.000 -0.186 0.000) 0.186 25.836 ( 0.000 -0.587 0.000) 0.587 39.517 ( 0.000 -0.964 0.000) 0.964 39.569 ( 0.000 -2.188 -0.000) 2.188 42.540 ( 0.000 0.289 -0.000) 0.289 42.557 ( 0.000 -0.139 -0.000) 0.139 48.218 ( 0.000 8.552 0.000) 8.552 48.267 ( 0.000 7.514 -0.000) 7.514 48.543 ( -0.000 5.347 0.000) 5.347 48.575 ( 0.000 4.681 0.000) 4.681 ======================= Grid point 60 (33/180) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.000 11.367 0.000) 11.367 1.731 ( 0.000 -7.023 0.000) 7.023 2.656 ( 0.000 20.872 0.000) 20.872 2.859 ( 0.000 -1.537 0.000) 1.537 3.050 ( 0.000 11.370 0.000) 11.370 3.244 ( 0.000 -1.048 0.000) 1.048 3.391 ( 0.000 1.297 0.000) 1.297 3.592 ( 0.000 -18.241 0.000) 18.241 3.634 ( 0.000 -2.817 0.000) 2.817 3.635 ( 0.000 -4.928 0.000) 4.928 4.102 ( 0.000 3.372 0.000) 3.372 4.170 ( 0.000 -2.906 0.000) 2.906 4.523 ( 0.000 3.058 0.000) 3.058 4.581 ( 0.000 -2.345 0.000) 2.345 4.898 ( 0.000 9.402 0.000) 9.402 4.901 ( 0.000 5.873 0.000) 5.873 5.063 ( 0.000 10.651 0.000) 10.651 5.138 ( 0.000 6.557 0.000) 6.557 5.809 ( 0.000 0.770 0.000) 0.770 5.837 ( 0.000 -1.870 0.000) 1.870 6.528 ( 0.000 6.722 0.000) 6.722 6.774 ( 0.000 -15.582 0.000) 15.582 6.992 ( 0.000 5.527 0.000) 5.527 7.083 ( 0.000 -2.591 0.000) 2.591 7.914 ( 0.000 8.298 0.000) 8.298 8.225 ( 0.000 -19.906 0.000) 19.906 10.447 ( 0.000 1.650 0.000) 1.650 10.475 ( 0.000 -0.929 0.000) 0.929 13.964 ( 0.000 -0.333 0.000) 0.333 13.967 ( 0.000 -0.568 0.000) 0.568 14.297 ( 0.000 0.672 0.000) 0.672 14.314 ( 0.000 -0.973 0.000) 0.973 16.757 ( 0.000 1.865 0.000) 1.865 16.797 ( 0.000 -1.615 0.000) 1.615 22.381 ( 0.000 2.199 0.000) 2.199 22.428 ( 0.000 -2.237 0.000) 2.237 25.123 ( 0.000 0.071 0.000) 0.071 25.124 ( 0.000 -0.078 0.000) 0.078 25.791 ( 0.000 1.097 0.000) 1.097 25.818 ( 0.000 -1.249 0.000) 1.249 39.684 ( 0.000 3.236 0.000) 3.236 39.768 ( 0.000 -4.892 0.000) 4.892 42.533 ( 0.000 0.238 0.000) 0.238 42.536 ( 0.000 -0.079 0.000) 0.079 48.930 ( 0.000 4.731 0.000) 4.731 49.001 ( 0.000 -2.060 0.000) 2.060 51.002 ( 0.000 16.865 0.000) 16.865 51.296 ( 0.000 -11.122 0.000) 11.122 ======================= Grid point 61 (34/180) ======================= q-point: ( 0.07 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 16.526 11.042 -1.357) 19.922 1.909 ( 16.109 -6.835 0.085) 17.500 2.713 ( 4.824 21.349 2.702) 22.053 2.932 ( 6.003 -1.169 0.925) 6.186 3.086 ( 3.196 8.020 0.635) 8.657 3.269 ( 1.830 -1.091 -1.602) 2.665 3.430 ( 4.413 0.242 -3.585) 5.691 3.517 ( -2.582 -11.590 -3.798) 12.467 3.664 ( 3.762 -1.240 0.069) 3.962 3.742 ( 5.289 -8.456 3.902) 10.710 4.061 ( -2.090 4.242 -0.297) 4.738 4.148 ( -1.061 -4.105 -0.558) 4.277 4.630 ( 6.026 5.959 -2.450) 8.822 4.654 ( 5.285 3.721 -3.038) 7.141 4.847 ( -0.367 12.392 1.896) 12.542 4.944 ( 2.429 1.673 1.445) 3.284 5.075 ( 3.119 4.264 0.984) 5.374 5.178 ( 1.873 1.902 2.823) 3.886 5.842 ( 3.256 -0.617 0.660) 3.379 5.878 ( 3.445 -1.960 4.299) 5.847 6.540 ( 1.299 7.156 -3.400) 8.028 6.778 ( 0.303 -14.689 -2.428) 14.892 6.990 ( -0.304 5.796 2.333) 6.255 7.086 ( 0.264 -2.877 1.701) 3.352 7.837 ( -6.923 7.941 -1.175) 10.601 8.127 ( -8.788 -17.964 -2.218) 20.121 10.444 ( -0.281 1.764 0.349) 1.820 10.476 ( 0.037 -1.118 0.302) 1.158 13.961 ( -0.220 -0.154 0.023) 0.270 13.967 ( -0.076 -0.703 -0.285) 0.762 14.360 ( 5.989 1.044 -0.316) 6.088 14.388 ( 6.684 -1.598 0.004) 6.872 16.765 ( 0.632 1.383 0.703) 1.675 16.795 ( -0.174 -1.240 -0.012) 1.253 22.374 ( -0.710 1.888 0.373) 2.051 22.416 ( -1.178 -2.012 -0.130) 2.335 25.121 ( -0.134 0.125 -0.040) 0.188 25.124 ( -0.070 -0.115 0.039) 0.140 25.787 ( -0.341 1.360 0.130) 1.408 25.819 ( 0.073 -1.436 -0.197) 1.452 39.673 ( -1.009 3.200 0.169) 3.360 39.757 ( -1.069 -4.818 -0.145) 4.938 42.532 ( -0.038 0.415 -0.077) 0.424 42.539 ( 0.196 -0.269 0.035) 0.335 48.887 ( -4.133 4.722 0.182) 6.278 48.957 ( -4.171 -2.024 -0.064) 4.636 50.884 ( -11.188 15.702 -0.045) 19.280 51.141 ( -14.414 -8.671 -0.401) 16.826 ======================= Grid point 62 (35/180) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 22.945 11.092 -1.869) 25.553 2.329 ( 22.991 -6.415 0.292) 23.871 2.832 ( 5.790 20.239 4.494) 21.525 3.049 ( 4.000 5.703 2.749) 7.489 3.163 ( 3.537 -4.726 2.105) 6.267 3.285 ( 0.128 -7.858 -2.351) 8.203 3.537 ( 5.661 2.216 -4.650) 7.654 3.586 ( 10.160 1.354 -5.041) 11.423 3.772 ( 6.427 -1.858 0.221) 6.693 3.844 ( 4.232 -5.497 2.792) 7.478 4.060 ( 2.638 4.433 -4.758) 7.018 4.166 ( 3.569 -5.532 -4.272) 7.848 4.535 ( -8.418 25.933 5.550) 27.824 4.844 ( 7.625 -2.154 -3.886) 8.825 4.963 ( 5.166 0.971 2.320) 5.745 5.007 ( 6.978 -3.244 2.383) 8.055 5.164 ( 3.575 2.606 0.976) 4.531 5.238 ( 5.343 -2.660 3.762) 7.055 5.947 ( 6.771 -2.905 1.925) 7.615 5.975 ( 5.445 -2.881 5.303) 8.129 6.566 ( 1.174 7.015 -6.230) 9.455 6.768 ( -1.348 -12.615 -5.468) 13.815 6.989 ( 0.056 6.232 3.868) 7.335 7.098 ( 0.694 -3.523 3.039) 4.704 7.662 ( -8.803 7.377 -1.684) 11.608 7.903 ( -11.238 -13.384 -2.973) 17.727 10.437 ( -0.401 1.981 0.564) 2.098 10.476 ( -0.057 -1.524 0.575) 1.630 13.957 ( -0.131 -0.002 -0.142) 0.193 13.964 ( -0.140 -0.690 -0.332) 0.778 14.525 ( 9.338 1.399 -0.362) 9.449 14.564 ( 9.720 -2.319 -0.100) 9.994 16.781 ( 0.779 0.370 1.010) 1.328 16.791 ( -0.207 -0.376 -0.071) 0.434 22.352 ( -1.512 1.222 0.536) 2.017 22.381 ( -2.045 -1.523 -0.256) 2.562 25.118 ( -0.202 0.183 -0.040) 0.275 25.121 ( -0.184 -0.148 0.049) 0.241 25.781 ( -0.173 1.808 0.105) 1.819 25.821 ( 0.177 -1.768 -0.139) 1.783 39.645 ( -1.687 3.038 0.283) 3.487 39.725 ( -1.915 -4.572 -0.238) 4.963 42.532 ( 0.114 0.551 -0.083) 0.569 42.543 ( 0.190 -0.432 0.018) 0.472 48.767 ( -7.188 4.659 0.264) 8.570 48.835 ( -7.327 -1.889 -0.062) 7.567 50.561 ( -19.409 12.845 -0.090) 23.275 50.737 ( -23.644 -3.498 -0.521) 23.907 ======================= Grid point 63 (36/180) ======================= q-point: ( 0.21 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 19.807 13.191 -1.961) 23.878 2.800 ( 20.972 -4.922 0.216) 21.543 2.949 ( 5.215 14.594 3.490) 15.886 3.099 ( 1.721 9.283 3.658) 10.126 3.216 ( 1.481 -8.771 5.218) 10.313 3.312 ( 2.901 -10.316 -0.182) 10.718 3.683 ( 7.867 8.401 -6.068) 13.011 3.811 ( 10.789 2.819 -5.106) 12.265 3.902 ( 4.784 -3.505 0.107) 5.932 3.949 ( 7.616 -2.310 1.709) 8.140 4.157 ( 6.603 5.494 -6.910) 11.024 4.288 ( 7.764 -2.439 -5.661) 9.913 4.392 ( -4.626 18.950 4.230) 19.959 4.845 ( -4.970 -15.600 1.568) 16.447 5.084 ( 5.721 4.667 4.871) 8.846 5.165 ( 3.357 -0.226 4.230) 5.405 5.260 ( 7.806 2.674 1.523) 8.391 5.379 ( 6.831 -6.007 -0.157) 9.098 6.103 ( 7.665 -1.726 2.894) 8.373 6.133 ( 9.755 -4.499 3.617) 11.335 6.558 ( -1.621 4.453 -7.760) 9.093 6.698 ( -4.818 -10.286 -7.168) 13.431 6.999 ( 0.493 6.623 3.065) 7.315 7.119 ( 0.873 -4.162 3.197) 5.320 7.522 ( -3.532 7.494 -0.992) 8.344 7.717 ( -5.454 -8.801 -1.884) 10.524 10.430 ( -0.361 2.088 0.634) 2.212 10.474 ( -0.230 -1.870 0.698) 2.009 13.956 ( 0.027 0.068 -0.251) 0.261 13.961 ( -0.044 -0.526 -0.246) 0.583 14.721 ( 9.264 1.565 -0.401) 9.403 14.765 ( 9.260 -2.493 -0.035) 9.589 16.787 ( -0.107 0.519 0.103) 0.540 16.797 ( 0.560 -0.473 0.649) 0.979 22.314 ( -2.214 0.748 0.440) 2.378 22.335 ( -2.371 -1.187 -0.294) 2.668 25.113 ( -0.281 0.177 -0.018) 0.333 25.116 ( -0.313 -0.140 0.036) 0.345 25.782 ( 0.266 1.992 0.076) 2.011 25.826 ( 0.266 -1.932 -0.020) 1.950 39.607 ( -1.933 2.670 0.326) 3.312 39.680 ( -2.405 -4.113 -0.269) 4.772 42.536 ( 0.213 0.544 -0.085) 0.591 42.547 ( 0.159 -0.448 0.022) 0.476 48.604 ( -8.288 4.489 0.224) 9.428 48.667 ( -8.572 -1.605 0.012) 8.721 50.112 ( -23.348 9.512 -0.119) 25.211 50.207 ( -26.758 0.929 -0.417) 26.777 ======================= Grid point 64 (37/180) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 7.335 18.833 -2.378) 20.350 3.020 ( 3.147 12.444 3.372) 13.271 3.097 ( 4.762 -4.700 -1.457) 6.848 3.242 ( 12.071 2.014 7.066) 14.131 3.306 ( 7.634 -2.783 5.282) 9.692 3.377 ( 3.787 -14.678 1.366) 15.220 3.842 ( 8.304 6.789 -4.629) 11.682 3.968 ( 5.852 -2.116 -5.596) 8.369 4.035 ( 7.895 4.692 1.618) 9.325 4.117 ( 6.428 -0.411 -0.398) 6.453 4.232 ( -0.253 13.134 4.429) 13.863 4.388 ( 6.957 7.943 -7.610) 13.016 4.472 ( 7.305 -7.889 -6.346) 12.485 4.727 ( -5.252 -17.654 0.211) 18.420 5.134 ( -1.108 4.727 7.724) 9.123 5.222 ( 2.633 -0.177 2.605) 3.708 5.409 ( 5.328 0.689 3.513) 6.419 5.504 ( 5.266 -6.385 -1.388) 8.392 6.270 ( 7.416 2.729 -0.995) 7.964 6.354 ( 10.467 -5.263 3.754) 12.302 6.492 ( -3.398 1.216 -7.486) 8.310 6.588 ( -3.622 -8.401 -4.461) 10.178 7.011 ( 0.477 6.939 1.346) 7.084 7.134 ( 0.335 -4.336 2.087) 4.824 7.528 ( 3.616 7.318 0.145) 8.164 7.683 ( 1.684 -6.083 -0.735) 6.354 10.424 ( -0.188 1.954 0.587) 2.049 10.468 ( -0.364 -1.982 0.647) 2.116 13.957 ( 0.120 0.170 -0.338) 0.397 13.962 ( 0.165 -0.390 -0.027) 0.424 14.892 ( 7.096 1.570 -0.422) 7.280 14.933 ( 6.837 -2.230 0.120) 7.192 16.787 ( 0.085 1.031 0.041) 1.035 16.806 ( 0.268 -0.743 0.376) 0.875 22.266 ( -2.337 0.675 0.211) 2.442 22.286 ( -2.294 -1.173 -0.204) 2.585 25.106 ( -0.356 0.134 0.007) 0.380 25.109 ( -0.400 -0.110 0.009) 0.415 25.791 ( 0.544 1.780 0.062) 1.862 25.831 ( 0.187 -1.802 0.047) 1.812 39.569 ( -1.794 2.092 0.307) 2.773 39.628 ( -2.481 -3.445 -0.252) 4.253 42.540 ( 0.210 0.466 -0.091) 0.519 42.550 ( 0.113 -0.384 0.045) 0.403 48.442 ( -6.954 4.248 0.124) 8.150 48.499 ( -7.346 -1.144 0.112) 7.435 49.624 ( -23.304 6.510 -0.122) 24.197 49.661 ( -25.477 3.301 -0.278) 25.692 ======================= Grid point 65 (38/180) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 0.922 19.827 -1.740) 19.924 3.120 ( 5.685 2.663 2.540) 6.772 3.156 ( 2.501 -1.798 2.705) 4.099 3.327 ( -3.496 -12.363 4.697) 13.679 3.478 ( 9.728 3.183 3.320) 10.761 3.574 ( 10.569 -6.114 0.353) 12.215 4.006 ( 6.343 5.455 -1.032) 8.429 4.081 ( 3.202 2.191 -4.582) 6.004 4.149 ( 1.717 10.216 0.832) 10.393 4.180 ( 5.669 3.829 2.992) 7.466 4.289 ( 3.722 -4.599 0.731) 5.961 4.460 ( -2.845 -10.355 -0.155) 10.740 4.585 ( 6.564 1.893 -7.424) 10.089 4.698 ( 2.470 -8.175 -7.907) 11.639 5.101 ( -2.063 7.058 6.634) 9.903 5.264 ( 1.255 -6.363 3.586) 7.411 5.498 ( 3.398 2.608 0.414) 4.303 5.594 ( 3.565 -6.117 0.892) 7.136 6.337 ( -0.309 3.965 -7.497) 8.486 6.427 ( -1.683 -2.326 -6.627) 7.222 6.525 ( 5.221 -0.675 5.858) 7.876 6.626 ( 6.356 -6.520 1.648) 9.254 7.028 ( 1.325 6.235 0.346) 6.384 7.143 ( 0.591 -4.189 1.059) 4.362 7.637 ( 6.127 5.796 0.354) 8.441 7.748 ( 3.815 -4.069 -0.335) 5.588 10.423 ( 0.043 1.567 0.454) 1.632 10.461 ( -0.403 -1.808 0.481) 1.914 13.960 ( 0.163 0.368 -0.289) 0.495 13.967 ( 0.279 -0.384 0.088) 0.483 15.010 ( 4.366 1.439 -0.377) 4.613 15.045 ( 4.008 -1.805 0.214) 4.402 16.790 ( 0.235 1.153 0.021) 1.177 16.809 ( 0.068 -0.575 0.131) 0.594 22.222 ( -1.786 0.643 0.086) 1.900 22.242 ( -1.905 -1.143 -0.132) 2.226 25.099 ( -0.338 0.085 0.025) 0.349 25.101 ( -0.377 -0.080 -0.017) 0.385 25.803 ( 0.554 1.270 0.038) 1.386 25.833 ( -0.039 -1.416 0.062) 1.418 39.536 ( -1.332 1.385 0.244) 1.936 39.580 ( -2.111 -2.651 -0.202) 3.394 42.544 ( 0.141 0.385 -0.089) 0.419 42.551 ( 0.060 -0.313 0.063) 0.325 48.333 ( -3.321 4.074 0.043) 5.256 48.381 ( -3.762 -0.482 0.175) 3.797 49.171 ( -20.328 4.122 -0.090) 20.742 49.174 ( -21.108 3.975 -0.204) 21.480 ======================= Grid point 66 (39/180) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 2.716 10.522 -1.551) 10.977 3.196 ( -2.260 -6.401 3.393) 7.588 3.220 ( 3.067 1.336 1.447) 3.645 3.260 ( 0.541 -4.993 2.648) 5.678 3.642 ( 5.922 4.540 0.753) 7.500 3.754 ( 6.715 -5.690 0.276) 8.806 3.993 ( -4.094 11.254 0.793) 12.002 4.164 ( 4.665 1.234 -2.762) 5.560 4.212 ( -0.418 -2.622 1.086) 2.869 4.275 ( 3.777 2.815 1.570) 4.965 4.321 ( -0.833 -5.393 1.021) 5.551 4.402 ( -0.081 -10.561 -0.870) 10.597 4.701 ( 4.478 2.295 -5.997) 7.828 4.738 ( 1.599 -0.812 -4.668) 5.001 5.073 ( -1.143 9.458 4.185) 10.406 5.289 ( 0.918 -9.625 2.269) 9.932 5.551 ( 1.737 3.475 -0.976) 4.006 5.656 ( 2.263 -6.315 1.298) 6.833 6.317 ( -0.415 3.524 -4.650) 5.849 6.413 ( 0.607 -4.136 -4.488) 6.133 6.590 ( 0.730 5.461 4.368) 7.031 6.736 ( 3.266 -6.682 1.709) 7.631 7.067 ( 2.090 4.537 0.025) 4.996 7.164 ( 1.221 -3.967 0.316) 4.162 7.754 ( 4.715 3.589 0.221) 5.930 7.813 ( 2.040 -1.707 -0.194) 2.667 10.426 ( 0.176 1.051 0.252) 1.095 10.453 ( -0.326 -1.436 0.253) 1.494 13.963 ( 0.127 0.544 -0.156) 0.580 13.973 ( 0.204 -0.423 0.078) 0.476 15.074 ( 1.976 1.247 -0.239) 2.349 15.103 ( 1.699 -1.426 0.173) 2.224 16.795 ( 0.230 1.024 0.006) 1.049 16.810 ( -0.036 -0.227 0.021) 0.231 22.194 ( -0.888 0.460 0.043) 1.001 22.209 ( -1.141 -0.939 -0.076) 1.479 25.093 ( -0.203 0.045 0.025) 0.210 25.094 ( -0.227 -0.059 -0.022) 0.236 25.813 ( 0.447 0.617 0.006) 0.762 25.830 ( -0.241 -0.866 0.049) 0.901 39.516 ( -0.638 0.688 0.150) 0.950 39.544 ( -1.292 -1.889 -0.128) 2.292 42.546 ( 0.063 0.333 -0.059) 0.344 42.552 ( 0.020 -0.268 0.048) 0.273 48.314 ( 1.405 4.084 0.018) 4.319 48.351 ( 0.745 0.563 0.165) 0.949 48.798 ( -14.436 3.711 -0.079) 14.905 48.813 ( -14.016 2.199 -0.132) 14.188 ======================= Grid point 67 (40/180) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 0.000 3.255 0.000) 3.255 3.128 ( 0.000 -6.697 -0.000) 6.697 3.257 ( 0.000 2.818 -0.000) 2.818 3.291 ( 0.000 -1.207 0.000) 1.207 3.711 ( 0.000 5.045 -0.000) 5.045 3.833 ( 0.000 -6.478 -0.000) 6.478 3.939 ( -0.000 11.103 0.000) 11.103 4.161 ( 0.000 -8.284 -0.000) 8.284 4.264 ( -0.000 -1.490 0.000) 1.490 4.270 ( 0.000 -1.667 -0.000) 1.667 4.321 ( 0.000 2.411 -0.000) 2.411 4.417 ( 0.000 -7.487 -0.000) 7.487 4.740 ( 0.000 2.217 -0.000) 2.217 4.759 ( 0.000 0.219 0.000) 0.219 5.062 ( 0.000 10.919 -0.000) 10.919 5.300 ( 0.000 -10.508 0.000) 10.508 5.568 ( 0.000 3.765 0.000) 3.765 5.681 ( 0.000 -6.662 -0.000) 6.662 6.312 ( 0.000 3.794 0.000) 3.794 6.423 ( 0.000 -5.824 0.000) 5.824 6.592 ( 0.000 8.709 0.000) 8.709 6.768 ( 0.000 -7.137 0.000) 7.137 7.092 ( 0.000 3.775 0.000) 3.775 7.180 ( 0.000 -3.818 0.000) 3.818 7.817 ( 0.000 1.234 -0.000) 1.234 7.823 ( -0.000 0.720 -0.000) 0.720 10.429 ( 0.000 0.762 -0.000) 0.762 10.449 ( 0.000 -1.196 0.000) 1.196 13.964 ( 0.000 0.610 0.000) 0.610 13.975 ( 0.000 -0.441 0.000) 0.441 15.094 ( 0.000 1.149 -0.000) 1.149 15.120 ( 0.000 -1.267 0.000) 1.267 16.798 ( 0.000 0.900 0.000) 0.900 16.809 ( 0.000 -0.023 0.000) 0.023 22.185 ( 0.000 0.310 -0.000) 0.310 22.197 ( 0.000 -0.778 0.000) 0.778 25.091 ( 0.000 0.029 -0.000) 0.029 25.092 ( 0.000 -0.051 -0.000) 0.051 25.820 ( 0.000 0.109 0.000) 0.109 25.825 ( 0.000 -0.399 0.000) 0.399 39.510 ( 0.000 0.327 0.000) 0.327 39.529 ( 0.000 -1.503 0.000) 1.503 42.546 ( 0.000 0.315 -0.000) 0.315 42.553 ( 0.000 -0.253 -0.000) 0.253 48.355 ( 0.000 3.955 -0.000) 3.955 48.374 ( 0.000 2.216 -0.000) 2.216 48.630 ( -0.000 2.541 0.000) 2.541 48.642 ( 0.000 1.402 0.000) 1.402 ======================= Grid point 135 (41/180) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -12.839 0.000 20.865) 24.499 0.551 ( 1.117 0.000 28.097) 28.119 1.131 ( 17.357 0.000 56.320) 58.934 1.595 ( 3.881 0.000 -14.128) 14.651 2.050 ( 4.018 0.000 -18.005) 18.448 2.670 ( 3.915 0.000 2.155) 4.469 2.741 ( -3.310 0.000 7.918) 8.582 3.484 ( -3.370 0.000 -9.883) 10.442 3.582 ( 0.135 0.000 4.621) 4.623 3.858 ( 6.035 0.000 0.010) 6.035 3.954 ( -29.824 0.000 -1.711) 29.873 4.104 ( -6.316 0.000 -8.271) 10.407 4.237 ( -3.785 0.000 1.839) 4.208 4.321 ( -5.038 0.000 4.014) 6.442 4.440 ( 4.959 0.000 1.059) 5.071 4.673 ( 3.394 0.000 -0.677) 3.461 4.739 ( 3.285 0.000 -2.717) 4.263 4.845 ( -7.105 0.000 -8.002) 10.701 5.906 ( 1.266 0.000 6.901) 7.016 6.514 ( -0.392 0.000 -5.871) 5.884 6.649 ( 0.662 0.000 1.007) 1.205 6.852 ( -1.149 0.000 -2.565) 2.810 7.632 ( 1.371 0.000 9.605) 9.702 7.660 ( 11.386 0.000 1.841) 11.534 7.774 ( 4.261 0.000 1.778) 4.617 8.398 ( -5.684 0.000 -6.807) 8.868 10.405 ( 0.087 0.000 0.501) 0.508 10.523 ( -0.808 0.000 -2.463) 2.592 14.005 ( 1.950 0.000 0.660) 2.059 14.059 ( -1.949 0.000 -0.697) 2.070 14.360 ( 3.908 0.000 0.500) 3.940 14.381 ( -31.014 0.000 -0.036) 31.014 16.710 ( 0.460 0.000 1.533) 1.601 16.822 ( -0.332 0.000 -1.140) 1.188 22.528 ( -1.095 0.000 1.115) 1.563 22.624 ( 17.813 0.000 -1.159) 17.851 25.121 ( -0.252 0.000 0.075) 0.263 25.128 ( 0.253 0.000 -0.074) 0.263 25.786 ( 0.219 0.000 0.771) 0.802 25.848 ( -0.194 0.000 -0.704) 0.731 40.181 ( -2.938 0.000 -0.008) 2.938 40.181 ( 37.165 0.000 -0.021) 37.165 42.509 ( -0.649 0.000 0.275) 0.705 42.532 ( 0.641 0.000 -0.257) 0.691 48.426 ( -0.875 0.000 3.730) 3.832 48.870 ( 2.113 0.000 -9.674) 9.902 49.327 ( -0.239 0.000 9.159) 9.162 49.727 ( -17.916 0.000 -3.211) 18.201 ======================= Grid point 136 (42/180) ======================= q-point: ( 0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 28.925 0.000 6.540) 29.655 0.825 ( 19.126 0.000 20.895) 28.327 1.640 ( 26.295 0.000 47.053) 53.902 1.864 ( 21.885 0.000 -11.407) 24.679 2.112 ( 4.874 0.000 -15.786) 16.521 2.768 ( 7.020 0.000 5.719) 9.055 2.837 ( 10.959 0.000 5.933) 12.462 3.388 ( -5.296 0.000 -18.813) 19.545 3.633 ( 6.849 0.000 1.891) 7.105 3.884 ( -2.257 0.000 0.760) 2.382 3.986 ( -3.242 0.000 2.889) 4.342 4.011 ( 8.892 0.000 -14.758) 17.230 4.336 ( 14.232 0.000 -8.016) 16.334 4.370 ( -1.411 0.000 0.450) 1.482 4.479 ( 9.247 0.000 0.924) 9.293 4.793 ( 7.999 0.000 1.417) 8.123 4.852 ( 6.938 0.000 -14.169) 15.776 4.887 ( 9.430 0.000 1.931) 9.626 5.964 ( 3.863 0.000 8.713) 9.531 6.466 ( -3.568 0.000 -7.806) 8.583 6.678 ( 1.965 0.000 3.000) 3.586 6.822 ( -1.549 0.000 -3.580) 3.901 7.449 ( -19.502 0.000 16.509) 25.551 7.565 ( -6.372 0.000 3.830) 7.434 7.905 ( 5.583 0.000 9.431) 10.960 8.257 ( -3.209 0.000 -8.250) 8.852 10.411 ( 0.445 0.000 0.842) 0.952 10.489 ( -1.485 0.000 -1.669) 2.234 14.002 ( -1.582 0.000 1.920) 2.488 14.019 ( -1.356 0.000 -1.410) 1.956 14.433 ( 16.867 0.000 -14.017) 21.931 14.514 ( 9.900 0.000 4.461) 10.859 16.711 ( -0.194 0.000 1.705) 1.717 16.803 ( -1.381 0.000 -1.615) 2.125 22.487 ( -2.653 0.000 -0.623) 2.725 22.673 ( -6.537 0.000 1.582) 6.725 25.119 ( 0.047 0.000 -0.199) 0.204 25.131 ( 0.037 0.000 0.142) 0.146 25.794 ( 0.452 0.000 0.935) 1.039 25.842 ( -0.335 0.000 -0.850) 0.914 40.084 ( -5.740 0.000 -3.907) 6.943 40.338 ( -10.989 0.000 5.982) 12.512 42.501 ( -0.089 0.000 -0.157) 0.180 42.544 ( 0.326 0.000 0.485) 0.585 48.374 ( -4.390 0.000 2.860) 5.239 48.857 ( -2.423 0.000 -8.859) 9.184 49.257 ( -7.512 0.000 9.799) 12.347 49.316 ( -13.211 0.000 8.916) 15.938 ======================= Grid point 137 (43/180) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 21.701 0.000 14.479) 26.088 1.335 ( 28.048 0.000 4.223) 28.364 2.173 ( 13.776 0.000 9.049) 16.482 2.348 ( 25.779 0.000 13.733) 29.209 2.393 ( 28.013 0.000 -11.319) 30.214 2.998 ( 13.660 0.000 0.925) 13.691 3.078 ( 9.679 0.000 3.040) 10.145 3.235 ( -5.432 0.000 -19.740) 20.473 3.839 ( 11.908 0.000 0.314) 11.912 3.900 ( 4.274 0.000 6.146) 7.486 3.976 ( 1.316 0.000 7.639) 7.751 4.128 ( 6.908 0.000 -9.407) 11.671 4.243 ( -5.809 0.000 1.620) 6.031 4.607 ( 10.697 0.000 -11.923) 16.018 4.817 ( 17.734 0.000 -5.489) 18.564 4.983 ( 9.372 0.000 0.838) 9.410 4.992 ( 6.983 0.000 -10.503) 12.613 5.093 ( 9.882 0.000 3.575) 10.509 6.084 ( 6.893 0.000 8.643) 11.055 6.354 ( -6.335 0.000 -9.183) 11.156 6.729 ( 2.211 0.000 6.160) 6.545 6.780 ( -2.163 0.000 -4.718) 5.190 7.148 ( -10.559 0.000 13.153) 16.866 7.414 ( -7.853 0.000 1.352) 7.969 7.996 ( 2.459 0.000 9.752) 10.057 8.195 ( -2.779 0.000 -9.071) 9.487 10.426 ( 0.889 0.000 1.124) 1.433 10.460 ( -1.220 0.000 -1.228) 1.731 13.977 ( -1.059 0.000 0.714) 1.277 14.003 ( -0.200 0.000 -0.938) 0.959 14.697 ( 9.966 0.000 -14.025) 17.205 14.743 ( 11.009 0.000 7.113) 13.107 16.712 ( 0.146 0.000 1.394) 1.402 16.767 ( -1.801 0.000 -2.076) 2.748 22.427 ( -2.826 0.000 -2.049) 3.491 22.531 ( -6.523 0.000 3.950) 7.626 25.120 ( -0.045 0.000 -0.300) 0.304 25.129 ( -0.275 0.000 0.253) 0.374 25.806 ( 0.608 0.000 0.926) 1.108 25.834 ( -0.311 0.000 -0.836) 0.892 39.956 ( -5.844 0.000 -6.498) 8.740 40.103 ( -10.655 0.000 11.299) 15.530 42.505 ( 0.384 0.000 -0.200) 0.433 42.549 ( 0.181 0.000 0.578) 0.606 48.261 ( -6.543 0.000 1.492) 6.711 48.764 ( -5.516 0.000 -7.323) 9.168 49.044 ( -13.492 0.000 8.133) 15.754 49.116 ( -8.951 0.000 3.233) 9.517 ======================= Grid point 138 (44/180) ======================= q-point: ( 0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 20.107 0.000 10.107) 22.505 1.892 ( 25.503 0.000 3.907) 25.800 2.401 ( 11.159 0.000 -4.244) 11.939 2.795 ( 4.313 0.000 -26.228) 26.580 2.953 ( 25.932 0.000 19.799) 32.627 3.194 ( 15.919 0.000 -10.807) 19.241 3.320 ( 18.319 0.000 -3.561) 18.662 3.340 ( 10.235 0.000 9.859) 14.211 3.967 ( -2.109 0.000 9.836) 10.059 4.075 ( 8.651 0.000 8.059) 11.823 4.084 ( 11.050 0.000 0.159) 11.051 4.223 ( 4.792 0.000 3.310) 5.824 4.311 ( 10.848 0.000 -6.912) 12.863 4.766 ( 6.138 0.000 -8.933) 10.838 5.028 ( 3.445 0.000 -13.301) 13.740 5.165 ( 8.501 0.000 2.697) 8.919 5.215 ( 14.695 0.000 -0.549) 14.706 5.294 ( 9.019 0.000 3.631) 9.722 6.197 ( -7.718 0.000 -8.910) 11.787 6.251 ( 8.076 0.000 6.811) 10.565 6.722 ( -2.898 0.000 -6.606) 7.214 6.754 ( -1.303 0.000 11.012) 11.089 7.035 ( -1.107 0.000 3.921) 4.074 7.274 ( -5.135 0.000 0.283) 5.143 8.033 ( 0.453 0.000 7.952) 7.965 8.113 ( -4.465 0.000 -8.974) 10.024 10.437 ( -0.970 0.000 -0.468) 1.077 10.448 ( 1.092 0.000 0.895) 1.412 13.958 ( -0.887 0.000 0.339) 0.950 14.003 ( 0.087 0.000 -0.364) 0.374 14.844 ( 5.798 0.000 -9.197) 10.872 14.956 ( 8.480 0.000 7.158) 11.097 16.719 ( 0.381 0.000 1.228) 1.286 16.730 ( -1.447 0.000 -2.130) 2.575 22.372 ( -2.343 0.000 -2.422) 3.370 22.416 ( -4.945 0.000 2.951) 5.758 25.116 ( -0.244 0.000 -0.374) 0.446 25.121 ( -0.464 0.000 0.300) 0.553 25.821 ( 0.719 0.000 0.733) 1.026 25.828 ( -0.131 0.000 -0.677) 0.689 39.840 ( -4.676 0.000 -6.701) 8.171 39.927 ( -7.526 0.000 8.702) 11.505 42.514 ( 0.486 0.000 -0.054) 0.489 42.553 ( 0.150 0.000 0.341) 0.373 48.115 ( -7.383 0.000 0.268) 7.388 48.627 ( -7.027 0.000 -4.444) 8.314 48.739 ( -15.848 0.000 4.515) 16.479 48.921 ( -10.232 0.000 1.930) 10.412 ======================= Grid point 139 (45/180) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 15.295 0.000 4.422) 15.922 2.381 ( 20.507 0.000 3.197) 20.755 2.644 ( 13.298 0.000 -4.377) 14.000 2.735 ( -1.667 0.000 -24.886) 24.941 3.384 ( 15.724 0.000 7.378) 17.369 3.471 ( 8.044 0.000 7.723) 11.151 3.714 ( 22.649 0.000 -2.712) 22.811 3.763 ( 23.129 0.000 -1.965) 23.212 3.905 ( -3.196 0.000 8.730) 9.297 4.265 ( 8.049 0.000 8.429) 11.655 4.273 ( 6.542 0.000 3.652) 7.493 4.388 ( 8.701 0.000 7.239) 11.318 4.492 ( 5.276 0.000 -7.879) 9.482 4.881 ( 7.455 0.000 -8.497) 11.304 5.052 ( 1.004 0.000 -9.942) 9.993 5.354 ( 9.163 0.000 4.896) 10.389 5.464 ( 7.162 0.000 1.944) 7.421 5.481 ( 10.542 0.000 -0.872) 10.578 6.038 ( -6.380 0.000 -5.413) 8.367 6.412 ( 6.619 0.000 4.839) 8.199 6.654 ( -2.743 0.000 -8.686) 9.108 6.701 ( -4.098 0.000 10.549) 11.317 7.081 ( 4.124 0.000 1.317) 4.329 7.218 ( -0.278 0.000 0.160) 0.321 7.994 ( -6.173 0.000 -8.503) 10.507 8.036 ( -0.661 0.000 5.676) 5.715 10.420 ( -0.666 0.000 0.390) 0.771 10.471 ( 1.047 0.000 0.167) 1.060 13.941 ( -0.670 0.000 0.202) 0.700 14.003 ( -0.061 0.000 -0.023) 0.065 14.934 ( 3.798 0.000 -5.242) 6.474 15.099 ( 4.848 0.000 5.147) 7.070 16.705 ( -0.811 0.000 -1.735) 1.915 16.728 ( 0.317 0.000 1.147) 1.190 22.326 ( -1.919 0.000 -2.126) 2.864 22.330 ( -3.708 0.000 2.075) 4.249 25.109 ( -0.355 0.000 -0.418) 0.548 25.111 ( -0.493 0.000 0.329) 0.593 25.828 ( 0.096 0.000 -0.421) 0.432 25.836 ( 0.726 0.000 0.433) 0.846 39.751 ( -3.455 0.000 -5.455) 6.457 39.801 ( -5.438 0.000 5.982) 8.084 42.523 ( 0.364 0.000 0.095) 0.376 42.556 ( 0.089 0.000 0.108) 0.140 47.967 ( -6.728 0.000 -0.586) 6.754 48.405 ( -15.069 0.000 5.841) 16.162 48.493 ( -6.571 0.000 -6.288) 9.094 48.705 ( -10.489 0.000 1.936) 10.666 ======================= Grid point 140 (46/180) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 7.356 0.000 -6.111) 9.564 2.685 ( 8.935 0.000 -0.098) 8.935 2.763 ( 6.087 0.000 -9.611) 11.377 2.979 ( 18.782 0.000 -3.563) 19.117 3.602 ( 2.898 0.000 9.396) 9.832 3.679 ( 13.307 0.000 0.481) 13.315 3.880 ( 2.302 0.000 8.252) 8.567 4.121 ( 14.836 0.000 -0.589) 14.848 4.191 ( 17.322 0.000 -4.764) 17.965 4.319 ( -3.660 0.000 1.966) 4.154 4.381 ( 1.274 0.000 5.978) 6.112 4.518 ( 0.408 0.000 -2.790) 2.820 4.553 ( 6.498 0.000 6.229) 9.001 5.076 ( 10.930 0.000 -9.967) 14.792 5.096 ( 4.989 0.000 -6.564) 8.245 5.464 ( -1.120 0.000 5.055) 5.178 5.632 ( 9.822 0.000 -3.773) 10.522 5.644 ( 5.330 0.000 0.824) 5.393 5.964 ( 0.058 0.000 4.914) 4.915 6.523 ( 3.410 0.000 1.483) 3.718 6.608 ( -0.313 0.000 -7.106) 7.113 6.626 ( -3.754 0.000 7.772) 8.631 7.173 ( 4.172 0.000 1.671) 4.494 7.246 ( 2.331 0.000 -0.626) 2.413 7.851 ( -6.607 0.000 -7.000) 9.625 8.018 ( -1.467 0.000 3.081) 3.412 10.409 ( -0.457 0.000 1.025) 1.122 10.490 ( 0.848 0.000 -0.655) 1.072 13.931 ( -0.337 0.000 0.197) 0.390 14.000 ( -0.258 0.000 0.020) 0.259 14.996 ( 2.646 0.000 -2.318) 3.518 15.171 ( 1.908 0.000 2.659) 3.272 16.693 ( -0.224 0.000 -1.116) 1.139 16.732 ( 0.011 0.000 0.934) 0.934 22.266 ( -2.633 0.000 1.511) 3.036 22.289 ( -1.456 0.000 -1.650) 2.201 25.102 ( -0.432 0.000 0.310) 0.532 25.102 ( -0.296 0.000 -0.384) 0.485 25.831 ( 0.234 0.000 -0.142) 0.274 25.850 ( 0.586 0.000 0.126) 0.599 39.688 ( -2.182 0.000 -3.787) 4.371 39.710 ( -3.903 0.000 3.820) 5.461 42.529 ( 0.204 0.000 0.195) 0.282 42.557 ( 0.029 0.000 -0.060) 0.067 47.846 ( -4.669 0.000 -0.926) 4.760 48.123 ( -12.100 0.000 3.052) 12.479 48.375 ( -4.427 0.000 -3.709) 5.775 48.504 ( -8.912 0.000 1.931) 9.119 ======================= Grid point 141 (47/180) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 4.508 0.000 -9.246) 10.286 2.789 ( 1.710 0.000 -4.211) 4.545 2.918 ( 7.992 0.000 2.008) 8.240 3.344 ( 15.664 0.000 -4.404) 16.272 3.596 ( -2.992 0.000 6.479) 7.137 3.948 ( 12.828 0.000 -1.475) 12.913 4.017 ( 8.315 0.000 10.757) 13.596 4.146 ( -10.964 0.000 -5.596) 12.310 4.260 ( -4.929 0.000 4.208) 6.481 4.386 ( 4.034 0.000 -1.840) 4.433 4.392 ( 1.099 0.000 -0.243) 1.125 4.600 ( 8.065 0.000 -0.507) 8.081 4.656 ( 2.539 0.000 5.903) 6.426 5.247 ( 9.239 0.000 -5.003) 10.506 5.260 ( 5.858 0.000 -17.017) 17.997 5.364 ( -5.636 0.000 5.204) 7.671 5.708 ( 0.751 0.000 3.907) 3.979 5.808 ( 6.384 0.000 -3.216) 7.148 6.026 ( 3.603 0.000 13.561) 14.032 6.530 ( -1.254 0.000 -6.619) 6.737 6.566 ( -2.618 0.000 5.027) 5.668 6.655 ( 3.915 0.000 1.587) 4.225 7.240 ( 1.793 0.000 0.746) 1.942 7.289 ( 1.491 0.000 -2.019) 2.510 7.735 ( -3.262 0.000 -3.279) 4.626 7.982 ( -2.103 0.000 0.186) 2.111 10.402 ( -0.374 0.000 1.285) 1.338 10.504 ( 0.504 0.000 -1.214) 1.315 13.928 ( 0.058 0.000 0.366) 0.371 13.993 ( -0.362 0.000 -0.195) 0.411 15.041 ( 1.909 0.000 -0.198) 1.920 15.190 ( -0.003 0.000 0.588) 0.588 16.693 ( 0.304 0.000 -0.409) 0.510 16.729 ( -0.342 0.000 0.498) 0.604 22.224 ( -1.578 0.000 1.069) 1.906 22.265 ( -0.656 0.000 -1.173) 1.344 25.094 ( -0.322 0.000 0.218) 0.389 25.098 ( -0.096 0.000 -0.274) 0.290 25.836 ( 0.220 0.000 0.092) 0.238 25.860 ( 0.291 0.000 -0.118) 0.314 39.645 ( -2.637 0.000 2.067) 3.350 39.656 ( -0.575 0.000 -2.173) 2.248 42.532 ( 0.098 0.000 0.261) 0.279 42.557 ( -0.005 0.000 -0.164) 0.164 47.779 ( -1.617 0.000 -0.578) 1.717 47.923 ( -7.290 0.000 1.185) 7.385 48.309 ( -1.648 0.000 -1.931) 2.539 48.352 ( -5.773 0.000 1.470) 5.957 ======================= Grid point 142 (48/180) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( 2.960 0.000 -5.062) 5.864 2.749 ( -5.092 0.000 -8.815) 10.180 3.070 ( 6.019 0.000 7.174) 9.365 3.528 ( -3.504 0.000 3.506) 4.956 3.541 ( 0.540 0.000 -6.963) 6.984 3.951 ( -3.770 0.000 -5.824) 6.938 4.020 ( -11.283 0.000 2.023) 11.463 4.206 ( 12.142 0.000 -1.068) 12.189 4.233 ( 5.317 0.000 8.480) 10.009 4.322 ( -6.853 0.000 7.070) 9.846 4.467 ( 3.342 0.000 0.154) 3.346 4.662 ( -2.464 0.000 5.801) 6.302 4.733 ( 2.942 0.000 -6.362) 7.010 5.144 ( -8.391 0.000 -8.691) 12.080 5.421 ( 7.140 0.000 -5.115) 8.783 5.427 ( 5.295 0.000 -5.070) 7.331 5.685 ( -3.255 0.000 7.108) 7.818 5.858 ( -1.671 0.000 -1.099) 2.001 6.099 ( 1.788 0.000 13.813) 13.929 6.489 ( -2.059 0.000 -6.081) 6.420 6.523 ( -2.027 0.000 3.128) 3.727 6.743 ( 4.254 0.000 2.891) 5.144 7.238 ( -1.783 0.000 -1.240) 2.172 7.290 ( -1.266 0.000 -3.276) 3.512 7.741 ( 3.875 0.000 1.494) 4.153 7.933 ( -2.530 0.000 -2.690) 3.693 10.396 ( -0.262 0.000 1.250) 1.277 10.508 ( -0.002 0.000 -1.390) 1.390 13.934 ( 0.398 0.000 0.688) 0.795 13.985 ( -0.294 0.000 -0.522) 0.599 15.077 ( 1.504 0.000 1.389) 2.048 15.175 ( -1.369 0.000 -0.965) 1.675 16.704 ( 0.743 0.000 0.292) 0.798 16.720 ( -0.532 0.000 -0.059) 0.536 22.203 ( -0.504 0.000 0.645) 0.819 22.262 ( 0.449 0.000 -0.740) 0.866 25.089 ( -0.164 0.000 0.079) 0.182 25.098 ( 0.153 0.000 -0.130) 0.201 25.839 ( 0.107 0.000 0.245) 0.267 25.861 ( -0.115 0.000 -0.276) 0.299 39.604 ( -1.523 0.000 0.604) 1.639 39.662 ( 1.335 0.000 -0.785) 1.549 42.534 ( 0.059 0.000 0.316) 0.322 42.557 ( -0.023 0.000 -0.221) 0.223 47.781 ( 1.741 0.000 0.630) 1.851 47.829 ( -1.838 0.000 -0.519) 1.910 48.276 ( -1.536 0.000 0.364) 1.579 48.307 ( 1.631 0.000 -0.380) 1.675 ======================= Grid point 143 (49/180) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -2.302 0.000 -0.182) 2.309 2.561 ( -12.107 0.000 -13.733) 18.307 3.157 ( 0.609 0.000 5.417) 5.451 3.349 ( -14.406 0.000 -5.892) 15.564 3.483 ( -0.334 0.000 3.981) 3.995 3.779 ( -10.297 0.000 0.576) 10.313 3.992 ( 4.032 0.000 -6.098) 7.311 4.137 ( -11.274 0.000 8.325) 14.015 4.275 ( -2.271 0.000 1.940) 2.987 4.418 ( 5.578 0.000 -0.581) 5.608 4.530 ( 1.360 0.000 5.751) 5.909 4.572 ( -6.559 0.000 5.079) 8.295 4.668 ( -6.110 0.000 -4.573) 7.632 5.017 ( -3.084 0.000 -10.419) 10.866 5.505 ( 0.752 0.000 -1.864) 2.010 5.505 ( 2.405 0.000 -4.077) 4.733 5.617 ( -2.732 0.000 6.438) 6.994 5.744 ( -8.903 0.000 -1.282) 8.995 6.119 ( -0.572 0.000 10.024) 10.040 6.433 ( -2.974 0.000 -4.878) 5.713 6.493 ( -0.853 0.000 3.887) 3.980 6.833 ( 4.128 0.000 3.753) 5.579 7.185 ( -2.914 0.000 -1.215) 3.157 7.230 ( -4.031 0.000 -3.972) 5.659 7.869 ( 7.521 0.000 2.895) 8.059 7.875 ( -2.672 0.000 -5.052) 5.715 10.395 ( 0.079 0.000 1.114) 1.116 10.500 ( -0.616 0.000 -1.257) 1.399 13.945 ( 0.602 0.000 1.037) 1.199 13.982 ( 0.007 0.000 -0.756) 0.756 15.108 ( 1.405 0.000 2.713) 3.055 15.131 ( -2.872 0.000 -2.168) 3.598 16.709 ( -0.475 0.000 -0.525) 0.708 16.723 ( 0.971 0.000 0.818) 1.270 22.204 ( 0.486 0.000 0.199) 0.525 22.282 ( 1.527 0.000 -0.373) 1.572 25.088 ( 0.041 0.000 -0.057) 0.071 25.103 ( 0.339 0.000 -0.013) 0.340 25.841 ( 0.007 0.000 0.320) 0.320 25.854 ( -0.542 0.000 -0.356) 0.648 39.582 ( -0.580 0.000 -0.641) 0.865 39.709 ( 3.215 0.000 0.334) 3.233 42.536 ( 0.057 0.000 0.390) 0.394 42.556 ( -0.057 0.000 -0.254) 0.260 47.845 ( 3.472 0.000 -2.287) 4.158 47.848 ( 4.497 0.000 2.673) 5.231 48.294 ( 3.428 0.000 -1.276) 3.657 48.375 ( 4.948 0.000 1.041) 5.057 ======================= Grid point 144 (50/180) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( -18.287 0.000 -17.028) 24.987 2.390 ( -11.336 0.000 3.464) 11.853 3.024 ( -15.942 0.000 -3.251) 16.270 3.075 ( -7.738 0.000 -7.606) 10.850 3.530 ( 2.612 0.000 13.614) 13.863 3.647 ( -1.873 0.000 -0.992) 2.120 3.836 ( -17.474 0.000 6.822) 18.759 4.013 ( -6.274 0.000 -5.623) 8.425 4.171 ( -6.954 0.000 -0.168) 6.956 4.313 ( -7.664 0.000 -2.514) 8.066 4.397 ( -10.587 0.000 5.188) 11.790 4.481 ( -7.253 0.000 6.143) 9.504 4.680 ( 2.415 0.000 0.224) 2.425 4.954 ( -1.704 0.000 -10.505) 10.642 5.468 ( -11.590 0.000 5.057) 12.645 5.493 ( -0.175 0.000 6.368) 6.370 5.546 ( -3.736 0.000 -8.853) 9.609 5.579 ( -2.622 0.000 0.261) 2.635 6.124 ( 1.057 0.000 4.850) 4.964 6.348 ( -5.181 0.000 -4.498) 6.861 6.497 ( 0.660 0.000 4.937) 4.981 6.917 ( 3.527 0.000 4.624) 5.815 7.118 ( -3.552 0.000 -0.461) 3.581 7.130 ( -4.796 0.000 -4.133) 6.332 7.817 ( -2.281 0.000 -6.326) 6.724 8.029 ( 7.282 0.000 2.095) 7.577 10.403 ( 0.670 0.000 1.011) 1.213 10.481 ( -1.146 0.000 -0.957) 1.493 13.960 ( 0.670 0.000 1.255) 1.422 13.986 ( 0.473 0.000 -0.739) 0.877 15.049 ( -4.928 0.000 -3.093) 5.818 15.141 ( 1.538 0.000 3.920) 4.211 16.701 ( -0.256 0.000 -0.742) 0.785 16.744 ( 0.978 0.000 0.994) 1.394 22.221 ( 1.147 0.000 -0.359) 1.202 22.322 ( 2.290 0.000 -0.035) 2.291 25.091 ( 0.260 0.000 -0.156) 0.303 25.111 ( 0.387 0.000 0.040) 0.389 25.839 ( -0.859 0.000 -0.364) 0.933 25.841 ( 0.001 0.000 0.324) 0.324 39.576 ( 0.024 0.000 -1.798) 1.798 39.793 ( 4.707 0.000 1.232) 4.865 42.537 ( 0.054 0.000 0.511) 0.514 42.554 ( -0.127 0.000 -0.280) 0.307 47.962 ( 7.777 0.000 -3.473) 8.517 47.962 ( 6.123 0.000 4.028) 7.329 48.416 ( 8.559 0.000 -2.479) 8.910 48.510 ( 7.791 0.000 2.317) 8.128 ======================= Grid point 145 (51/180) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -22.104 0.000 -16.092) 27.341 2.074 ( -18.993 0.000 5.535) 19.783 2.693 ( -15.982 0.000 -1.609) 16.062 2.860 ( -11.712 0.000 -16.348) 20.111 3.379 ( -27.178 0.000 2.834) 27.325 3.523 ( -5.637 0.000 -1.728) 5.896 3.683 ( 2.899 0.000 15.624) 15.891 3.754 ( -14.992 0.000 -1.307) 15.049 4.039 ( -4.851 0.000 5.458) 7.302 4.157 ( -11.235 0.000 0.767) 11.261 4.250 ( -0.919 0.000 -0.882) 1.274 4.284 ( -11.038 0.000 4.977) 12.108 4.601 ( -9.384 0.000 -0.650) 9.406 4.961 ( 1.887 0.000 -7.713) 7.940 5.146 ( -16.663 0.000 -3.270) 16.981 5.463 ( -6.919 0.000 -1.483) 7.076 5.502 ( -1.756 0.000 -0.093) 1.758 5.535 ( 0.797 0.000 9.324) 9.358 6.180 ( 3.905 0.000 0.529) 3.941 6.202 ( -8.511 0.000 -5.375) 10.067 6.521 ( 1.130 0.000 4.393) 4.536 6.972 ( 0.084 0.000 6.879) 6.879 7.037 ( -4.216 0.000 0.512) 4.247 7.062 ( 0.335 0.000 -5.876) 5.885 7.774 ( -1.213 0.000 -5.859) 5.983 8.163 ( 5.472 0.000 0.746) 5.522 10.425 ( 1.269 0.000 0.931) 1.574 10.454 ( -1.331 0.000 -0.596) 1.458 13.974 ( 0.632 0.000 1.223) 1.376 13.999 ( 0.896 0.000 -0.439) 0.998 14.919 ( -7.342 0.000 -3.631) 8.191 15.180 ( 1.821 0.000 4.883) 5.212 16.697 ( -0.066 0.000 -0.740) 0.743 16.764 ( 0.918 0.000 0.762) 1.193 22.246 ( 1.178 0.000 -1.179) 1.667 22.374 ( 2.699 0.000 0.377) 2.725 25.098 ( 0.416 0.000 -0.221) 0.471 25.118 ( 0.284 0.000 0.038) 0.286 25.820 ( -0.945 0.000 -0.281) 0.986 25.842 ( 0.084 0.000 0.251) 0.265 39.576 ( 0.010 0.000 -3.014) 3.014 39.902 ( 5.588 0.000 2.022) 5.942 42.539 ( 0.018 0.000 0.702) 0.702 42.550 ( -0.225 0.000 -0.311) 0.383 48.096 ( 6.317 0.000 5.658) 8.481 48.155 ( 10.885 0.000 -6.139) 12.497 48.636 ( 12.624 0.000 -1.776) 12.748 48.695 ( 9.641 0.000 3.374) 10.214 ======================= Grid point 146 (52/180) ======================= q-point: (-0.21 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -22.284 0.000 -8.102) 23.712 1.647 ( -22.299 0.000 7.487) 23.522 2.347 ( -18.637 0.000 1.450) 18.694 2.551 ( -16.827 0.000 -20.850) 26.793 2.765 ( -30.214 0.000 -2.254) 30.298 3.267 ( -16.925 0.000 -1.261) 16.972 3.444 ( -15.033 0.000 2.349) 15.216 3.775 ( 4.097 0.000 12.437) 13.095 3.876 ( -10.019 0.000 4.309) 10.906 4.047 ( -6.309 0.000 -3.284) 7.112 4.130 ( 1.412 0.000 7.911) 8.036 4.204 ( -5.639 0.000 4.351) 7.122 4.357 ( -11.779 0.000 -1.305) 11.851 4.836 ( -11.630 0.000 -8.366) 14.327 4.952 ( -2.718 0.000 -7.946) 8.398 5.253 ( -12.877 0.000 0.232) 12.880 5.474 ( -1.040 0.000 0.184) 1.056 5.531 ( -3.660 0.000 6.415) 7.386 6.013 ( -7.935 0.000 -4.289) 9.020 6.274 ( 4.950 0.000 -0.069) 4.951 6.553 ( 1.706 0.000 3.266) 3.685 6.941 ( -2.167 0.000 3.825) 4.397 6.950 ( -4.154 0.000 2.694) 4.951 7.136 ( 5.943 0.000 -3.254) 6.775 7.758 ( -0.024 0.000 -3.696) 3.696 8.256 ( 3.574 0.000 -0.369) 3.593 10.428 ( -1.054 0.000 -0.233) 1.080 10.455 ( 1.540 0.000 0.778) 1.725 13.987 ( 0.484 0.000 0.893) 1.016 14.021 ( 1.141 0.000 0.060) 1.143 14.743 ( -9.230 0.000 -3.681) 9.937 15.225 ( 2.076 0.000 4.785) 5.216 16.695 ( -0.050 0.000 -0.711) 0.713 16.784 ( 0.937 0.000 0.229) 0.964 22.262 ( 0.387 0.000 -2.191) 2.225 22.432 ( 2.801 0.000 0.953) 2.959 25.107 ( 0.445 0.000 -0.274) 0.523 25.122 ( 0.111 0.000 0.046) 0.120 25.801 ( -0.769 0.000 -0.083) 0.774 25.845 ( 0.172 0.000 0.091) 0.195 39.565 ( -0.856 0.000 -4.051) 4.141 40.022 ( 5.646 0.000 2.763) 6.285 42.539 ( -0.105 0.000 0.931) 0.937 42.544 ( -0.304 0.000 -0.366) 0.476 48.228 ( 5.810 0.000 5.458) 7.971 48.386 ( 11.800 0.000 -7.896) 14.198 48.904 ( 10.051 0.000 4.241) 10.910 48.922 ( 14.831 0.000 1.229) 14.882 ======================= Grid point 147 (53/180) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -15.440 0.000 13.486) 20.500 1.188 ( -22.641 0.000 11.348) 25.326 1.815 ( -34.101 0.000 10.144) 35.577 2.135 ( -20.624 0.000 -20.548) 29.113 2.275 ( -14.984 0.000 -10.811) 18.477 2.921 ( -14.865 0.000 -0.125) 14.866 3.139 ( -14.568 0.000 4.973) 15.394 3.693 ( -7.184 0.000 -1.361) 7.311 3.789 ( -4.005 0.000 2.956) 4.978 3.947 ( -15.836 0.000 5.763) 16.852 4.033 ( 7.002 0.000 -0.495) 7.019 4.201 ( 2.341 0.000 6.170) 6.599 4.238 ( -1.874 0.000 -0.858) 2.061 4.666 ( -4.425 0.000 -9.034) 10.060 4.842 ( -6.555 0.000 -8.094) 10.415 4.945 ( -16.614 0.000 3.064) 16.894 5.362 ( -12.222 0.000 -1.180) 12.278 5.420 ( -5.636 0.000 -12.279) 13.510 5.909 ( -2.278 0.000 1.479) 2.716 6.383 ( 5.594 0.000 2.317) 6.055 6.602 ( 2.824 0.000 2.466) 3.749 6.893 ( -0.515 0.000 11.350) 11.362 6.905 ( -1.592 0.000 1.035) 1.898 7.285 ( 8.553 0.000 0.033) 8.553 7.760 ( 0.281 0.000 -1.347) 1.376 8.316 ( 2.471 0.000 -0.640) 2.552 10.411 ( -0.527 0.000 0.072) 0.532 10.486 ( 1.358 0.000 0.508) 1.450 13.995 ( 0.212 0.000 0.306) 0.372 14.046 ( 1.305 0.000 0.630) 1.449 14.544 ( -9.270 0.000 -3.419) 9.880 15.264 ( 0.680 0.000 -0.027) 0.680 16.693 ( -0.133 0.000 -0.694) 0.707 16.803 ( 0.938 0.000 -0.358) 1.004 22.255 ( -0.683 0.000 -1.787) 1.914 22.488 ( 2.391 0.000 1.606) 2.880 25.115 ( 0.373 0.000 -0.309) 0.484 25.123 ( 0.007 0.000 0.148) 0.149 25.789 ( -0.428 0.000 0.209) 0.476 25.849 ( 0.164 0.000 -0.153) 0.224 39.531 ( -1.829 0.000 -2.423) 3.036 40.131 ( 4.397 0.000 3.220) 5.450 42.535 ( -0.391 0.000 1.057) 1.128 42.537 ( -0.321 0.000 -0.486) 0.583 48.339 ( 4.331 0.000 4.818) 6.479 48.612 ( 10.431 0.000 -9.167) 13.887 49.106 ( 8.737 0.000 5.278) 10.208 49.244 ( 16.114 0.000 6.288) 17.297 ======================= Grid point 148 (54/180) ======================= q-point: (-0.07 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -19.256 0.000 19.152) 27.159 0.771 ( -2.361 0.000 38.662) 38.734 1.089 ( -31.941 0.000 22.031) 38.802 1.733 ( -14.418 0.000 -17.468) 22.650 2.064 ( -4.988 0.000 -13.178) 14.091 2.694 ( -6.416 0.000 -0.413) 6.429 2.873 ( -10.863 0.000 7.867) 13.413 3.570 ( -4.623 0.000 -4.770) 6.642 3.675 ( -9.784 0.000 4.103) 10.609 3.754 ( 1.932 0.000 -1.310) 2.335 4.204 ( -2.194 0.000 -2.000) 2.969 4.218 ( -0.750 0.000 -0.628) 0.978 4.227 ( 10.167 0.000 -1.206) 10.238 4.600 ( -16.250 0.000 5.703) 17.222 4.611 ( -1.469 0.000 -8.045) 8.178 4.701 ( -5.821 0.000 -6.951) 9.066 5.073 ( -29.963 0.000 -33.010) 44.581 5.082 ( -13.469 0.000 -4.147) 14.093 5.891 ( -0.222 0.000 4.638) 4.643 6.487 ( 3.519 0.000 -2.243) 4.173 6.644 ( 0.404 0.000 -0.409) 0.575 6.877 ( -1.160 0.000 -1.165) 1.644 7.104 ( 23.127 0.000 31.489) 39.069 7.480 ( 9.550 0.000 5.957) 11.256 7.759 ( -0.394 0.000 -0.454) 0.601 8.370 ( 3.214 0.000 0.052) 3.215 10.405 ( -0.127 0.000 0.290) 0.317 10.512 ( 1.109 0.000 -0.012) 1.109 13.996 ( -0.085 0.000 -0.282) 0.295 14.072 ( 0.768 0.000 0.859) 1.152 14.380 ( -5.390 0.000 -2.726) 6.041 15.144 ( -17.775 0.000 -21.150) 27.627 16.693 ( 0.442 0.000 0.363) 0.572 16.820 ( 0.583 0.000 -0.792) 0.984 22.277 ( 5.793 0.000 7.363) 9.369 22.527 ( 1.029 0.000 1.890) 2.152 25.122 ( 0.312 0.000 -0.259) 0.405 25.124 ( 0.002 0.000 0.285) 0.285 25.784 ( -0.085 0.000 0.512) 0.519 25.850 ( 0.018 0.000 -0.443) 0.443 39.556 ( 8.949 0.000 12.873) 15.678 40.196 ( 1.296 0.000 2.612) 2.916 42.524 ( -0.722 0.000 0.838) 1.106 42.530 ( -0.244 0.000 -0.655) 0.698 48.409 ( 2.004 0.000 4.241) 4.691 48.785 ( 6.915 0.000 -9.771) 11.970 49.262 ( 5.443 0.000 7.045) 8.903 49.608 ( 18.138 0.000 8.071) 19.853 ======================= Grid point 149 (55/180) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -3.575 17.718 12.207) 21.811 1.092 ( 6.002 24.060 25.333) 35.449 1.607 ( 4.078 20.834 15.726) 26.420 1.690 ( -0.208 31.806 -1.667) 31.851 2.288 ( 8.578 21.564 -9.326) 25.011 2.693 ( -0.487 2.243 3.074) 3.837 2.855 ( -1.921 13.326 2.238) 13.649 3.522 ( -0.171 -4.089 0.263) 4.101 3.604 ( -7.422 -0.375 -14.554) 16.341 3.775 ( 6.073 -2.112 -3.017) 7.103 4.007 ( 1.608 -2.292 -5.241) 5.942 4.112 ( -10.330 0.519 -2.391) 10.615 4.166 ( -8.204 0.147 5.020) 9.619 4.427 ( 3.205 -0.179 -0.320) 3.226 4.545 ( -3.686 8.240 -3.866) 9.820 4.658 ( 2.331 -1.470 -0.097) 2.757 4.791 ( 0.530 3.954 -3.357) 5.214 4.924 ( -4.985 5.362 -9.678) 12.135 5.903 ( 2.656 0.155 7.046) 7.531 6.409 ( -0.074 -7.694 -3.835) 8.597 6.656 ( 0.623 0.362 -1.734) 1.878 6.733 ( 2.824 -14.833 4.663) 15.803 7.162 ( 1.871 -8.486 17.956) 19.948 7.433 ( 1.001 -8.487 3.622) 9.281 7.892 ( 2.768 7.807 8.607) 11.945 8.973 ( -4.179 10.366 -28.678) 30.779 10.402 ( 0.181 -0.206 0.664) 0.719 10.509 ( -0.297 -0.857 -0.941) 1.307 14.000 ( 0.793 -0.322 0.407) 0.947 14.051 ( -0.854 -0.955 -0.456) 1.360 14.313 ( -7.853 -1.695 2.836) 8.520 14.380 ( -2.230 -0.637 -0.359) 2.347 16.713 ( 0.454 1.075 0.363) 1.222 16.815 ( 0.843 -1.091 -0.192) 1.392 22.385 ( 5.772 -5.796 7.859) 11.343 22.572 ( 1.361 -2.295 -0.295) 2.685 25.121 ( -0.275 -0.001 0.068) 0.283 25.127 ( 0.246 -0.023 -0.073) 0.257 25.791 ( 0.408 0.714 0.262) 0.863 25.842 ( -0.870 -0.852 -0.010) 1.218 39.749 ( 10.270 -11.349 15.908) 22.076 40.207 ( 0.161 -6.157 -3.426) 7.048 42.512 ( -0.688 0.261 0.258) 0.780 42.532 ( 0.647 0.063 -0.231) 0.690 48.501 ( -0.383 6.454 4.215) 7.718 48.994 ( 1.184 0.233 -8.227) 8.315 49.628 ( 0.408 20.974 5.541) 21.698 50.774 ( -8.213 45.562 -53.354) 70.640 ======================= Grid point 150 (56/180) ======================= q-point: ( 0.07 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 9.757 19.057 10.698) 23.933 1.226 ( 7.422 24.413 12.276) 28.316 1.831 ( 14.669 7.204 2.742) 16.571 1.859 ( 18.335 10.509 15.334) 26.110 2.589 ( 17.657 35.036 -3.613) 39.400 2.769 ( 7.383 1.186 1.699) 7.668 2.935 ( 8.199 9.157 2.919) 12.633 3.413 ( -5.530 2.133 -17.271) 18.260 3.595 ( 7.399 -3.571 1.065) 8.285 3.867 ( 0.405 -4.600 -6.034) 7.598 3.962 ( -2.012 2.251 5.478) 6.255 4.065 ( -1.138 1.789 -2.487) 3.269 4.242 ( 17.059 -1.024 -8.152) 18.935 4.388 ( -6.257 0.112 3.677) 7.259 4.602 ( 6.240 3.546 -4.647) 8.550 4.783 ( 9.519 -0.586 0.244) 9.540 4.884 ( 9.903 2.246 -4.167) 10.977 4.958 ( 5.749 5.265 -7.762) 11.001 5.986 ( 4.654 1.933 8.914) 10.240 6.369 ( -3.053 -6.311 -8.114) 10.723 6.680 ( 1.812 0.096 0.916) 2.033 6.792 ( 1.923 -11.093 1.736) 11.392 7.144 ( -4.155 -7.142 14.631) 16.804 7.510 ( 4.674 -15.332 4.555) 16.663 7.841 ( -8.370 10.927 6.442) 15.197 8.634 ( -17.789 10.857 -15.125) 25.750 10.408 ( 0.272 -0.246 0.926) 0.996 10.492 ( -0.865 0.236 -1.197) 1.496 13.988 ( -1.217 -0.521 0.079) 1.326 14.034 ( -1.426 0.149 0.006) 1.434 14.366 ( 11.655 -3.336 -5.193) 13.189 14.521 ( 10.444 -0.703 1.667) 10.599 16.716 ( -0.149 1.166 0.416) 1.247 16.824 ( -0.210 0.311 -1.078) 1.141 22.444 ( -0.258 -3.687 2.751) 4.607 22.567 ( -2.528 -5.365 1.635) 6.152 25.116 ( -0.125 -0.156 -0.084) 0.217 25.131 ( 0.045 -0.025 0.130) 0.140 25.791 ( -0.385 0.233 0.665) 0.803 25.832 ( 0.067 -0.877 -0.199) 0.902 39.876 ( 0.553 -13.921 10.207) 17.271 40.159 ( -4.748 -8.073 -1.618) 9.505 42.503 ( -0.121 0.175 -0.235) 0.317 42.545 ( 0.451 0.089 0.387) 0.601 48.453 ( -4.570 6.922 3.801) 9.124 48.958 ( -3.798 -0.625 -7.744) 8.648 49.556 ( -7.724 19.864 5.016) 21.895 50.106 ( -37.161 54.389 -20.815) 69.083 ======================= Grid point 151 (57/180) ======================= q-point: ( 0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 12.567 3.103 7.964) 15.199 1.538 ( 20.933 10.871 3.724) 23.879 2.210 ( 19.097 3.775 7.555) 20.882 2.337 ( 25.471 4.325 8.156) 27.092 2.907 ( 6.517 11.861 -13.922) 19.416 2.970 ( 16.105 13.325 1.960) 20.994 3.142 ( 10.483 6.357 5.032) 13.252 3.364 ( 3.339 11.418 -11.261) 16.381 3.814 ( 11.466 -2.131 0.216) 11.664 3.906 ( 5.710 0.145 3.333) 6.614 3.970 ( 3.031 -0.525 7.170) 7.802 4.105 ( 4.425 1.293 -4.706) 6.587 4.257 ( -4.850 0.862 2.625) 5.582 4.540 ( 10.635 -3.907 -10.401) 15.380 4.824 ( 15.284 -0.711 -4.648) 15.991 4.980 ( 8.319 1.143 1.528) 8.535 5.083 ( 7.437 4.057 -9.024) 12.378 5.111 ( 10.397 2.039 1.198) 10.662 6.112 ( 6.742 2.504 8.487) 11.125 6.276 ( -4.962 -5.212 -10.026) 12.341 6.724 ( 1.336 -0.529 5.937) 6.108 6.804 ( -0.391 -5.661 0.445) 5.692 7.064 ( -3.867 -0.286 7.063) 8.057 7.478 ( -10.594 -4.780 2.379) 11.864 7.735 ( 2.538 -3.766 0.075) 4.542 8.347 ( -10.361 2.101 -2.844) 10.948 10.413 ( 0.087 -0.806 0.660) 1.045 10.479 ( -0.292 1.283 -0.454) 1.392 13.967 ( -0.806 -0.535 -0.158) 0.980 14.013 ( -0.611 0.325 -0.138) 0.706 14.601 ( 10.556 -5.719 -6.169) 13.498 14.752 ( 10.812 -1.073 2.629) 11.179 16.712 ( -0.210 0.747 -0.128) 0.786 16.806 ( -1.251 2.043 -1.145) 2.655 22.415 ( -2.078 -1.075 -0.934) 2.520 22.488 ( -4.654 -3.220 2.866) 6.344 25.115 ( -0.044 -0.315 -0.199) 0.375 25.129 ( -0.239 0.003 0.227) 0.329 25.785 ( -0.134 -1.373 0.388) 1.433 25.839 ( 0.467 0.310 0.016) 0.561 39.840 ( -3.531 -8.742 3.658) 10.113 40.034 ( -6.555 -4.796 0.927) 8.175 42.506 ( 0.331 0.063 -0.352) 0.487 42.552 ( 0.182 0.194 0.594) 0.651 48.330 ( -7.266 6.657 2.836) 10.255 48.834 ( -7.305 -0.737 -6.962) 10.118 49.331 ( -14.287 20.083 2.849) 24.811 49.479 ( -22.780 36.259 -1.214) 42.838 ======================= Grid point 152 (58/180) ======================= q-point: ( 0.21 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 20.399 -13.000 3.360) 24.421 2.015 ( 23.771 7.586 2.253) 25.053 2.573 ( 14.745 9.203 7.007) 18.740 2.830 ( 11.541 3.819 -15.356) 19.585 2.931 ( 9.662 -1.234 -5.694) 11.283 3.299 ( 11.130 0.784 5.422) 12.405 3.395 ( 16.652 8.933 0.562) 18.905 3.546 ( 13.390 16.490 -1.149) 21.273 3.950 ( -0.944 -1.814 7.920) 8.180 4.018 ( 8.263 -2.283 5.010) 9.929 4.169 ( 9.110 3.097 2.984) 10.074 4.225 ( 6.772 -0.134 -0.785) 6.819 4.303 ( 12.217 4.569 0.252) 13.046 4.682 ( 4.832 -5.973 -7.834) 10.972 5.084 ( 3.184 3.588 -5.823) 7.544 5.140 ( 13.128 -2.158 -3.000) 13.638 5.278 ( 10.656 4.654 -2.530) 11.900 5.302 ( 8.958 0.827 4.188) 9.923 6.150 ( -5.926 -3.376 -10.747) 12.728 6.274 ( 7.646 1.927 7.392) 10.808 6.692 ( -4.482 -3.278 8.124) 9.841 6.823 ( 1.148 2.475 -0.398) 2.757 7.012 ( -1.100 0.513 0.266) 1.243 7.266 ( -7.421 -2.077 -0.463) 7.720 7.823 ( 4.214 -9.772 -0.418) 10.650 8.153 ( -8.711 -3.692 -0.100) 9.462 10.411 ( -0.217 -1.157 0.127) 1.184 10.480 ( 0.327 1.728 0.406) 1.805 13.952 ( -0.649 -0.335 -0.004) 0.731 14.005 ( -0.191 0.028 -0.058) 0.201 14.780 ( 7.363 -4.433 -5.500) 10.203 14.954 ( 8.195 -0.939 4.508) 9.400 16.708 ( -0.129 0.339 -0.607) 0.707 16.779 ( -1.142 2.685 -0.623) 2.983 22.366 ( -2.422 -0.477 -2.389) 3.435 22.398 ( -4.068 -1.544 2.835) 5.193 25.112 ( -0.210 -0.284 -0.259) 0.438 25.122 ( -0.427 0.046 0.225) 0.485 25.787 ( 0.307 -1.849 0.074) 1.876 25.849 ( 0.451 0.858 0.170) 0.984 39.764 ( -3.724 -5.717 0.489) 6.840 39.906 ( -5.804 -2.199 1.291) 6.339 42.514 ( 0.447 -0.016 -0.216) 0.496 42.555 ( 0.119 0.174 0.437) 0.485 48.172 ( -7.925 5.775 1.536) 9.926 48.656 ( -9.082 -1.161 -5.186) 10.523 48.984 ( -17.965 23.661 3.486) 29.913 49.113 ( -14.646 16.562 0.502) 22.115 ======================= Grid point 153 (59/180) ======================= q-point: ( 0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 21.584 -13.806 0.317) 25.624 2.493 ( 21.558 5.044 0.329) 22.142 2.772 ( 1.409 9.901 -14.116) 17.299 2.861 ( 8.115 9.120 -3.699) 12.756 3.307 ( 15.722 -2.234 -0.032) 15.880 3.487 ( 8.205 -0.679 7.679) 11.258 3.788 ( 19.871 1.959 -1.536) 20.026 3.857 ( 14.208 7.439 2.820) 16.284 3.912 ( -0.526 1.082 6.902) 7.007 4.193 ( 7.181 -3.588 4.022) 8.979 4.346 ( 8.297 0.264 3.463) 8.995 4.354 ( 4.439 -0.338 2.678) 5.196 4.556 ( 7.458 5.954 -3.028) 10.012 4.772 ( 5.923 -5.815 -3.810) 9.133 5.124 ( 2.814 3.236 -5.902) 7.296 5.369 ( 8.778 -3.741 -4.216) 10.432 5.416 ( 5.089 3.619 5.531) 8.342 5.550 ( 11.900 3.730 -0.322) 12.475 6.024 ( -4.752 -1.190 -7.143) 8.662 6.428 ( 6.433 1.519 5.286) 8.463 6.606 ( -3.510 -3.040 2.981) 5.518 6.782 ( -4.612 5.122 -0.598) 6.918 7.050 ( 4.336 -3.097 0.281) 5.336 7.193 ( -0.351 -1.855 0.142) 1.894 7.877 ( 0.209 -7.202 -3.940) 8.212 7.995 ( -5.683 -6.448 2.178) 8.867 10.407 ( -0.175 -0.845 0.277) 0.906 10.489 ( 0.484 1.309 0.267) 1.421 13.940 ( -0.533 -0.087 0.039) 0.541 14.002 ( -0.135 -0.152 0.119) 0.236 14.901 ( 4.955 -2.442 -3.758) 6.681 15.093 ( 4.835 -0.838 3.942) 6.294 16.705 ( -0.096 0.478 -0.905) 1.027 16.760 ( -0.648 2.297 0.130) 2.390 22.308 ( -2.947 -1.134 -0.395) 3.182 22.333 ( -2.458 -0.140 0.323) 2.483 25.106 ( -0.319 -0.202 -0.232) 0.443 25.112 ( -0.486 0.054 0.164) 0.516 25.797 ( 0.631 -1.673 -0.071) 1.790 25.857 ( 0.325 0.897 0.181) 0.971 39.694 ( -2.951 -4.073 -0.372) 5.043 39.798 ( -4.732 -1.007 0.866) 4.915 42.523 ( 0.359 -0.047 -0.038) 0.364 42.557 ( 0.068 0.132 0.205) 0.253 48.017 ( -6.894 5.108 0.421) 8.590 48.449 ( -10.892 0.203 -1.551) 11.004 48.651 ( -13.614 17.339 0.863) 22.062 48.832 ( -12.794 10.763 0.678) 16.733 ======================= Grid point 154 (60/180) ======================= q-point: ( 0.36 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 16.212 -6.423 -3.889) 17.867 2.758 ( 5.214 2.883 -13.270) 14.546 2.905 ( 10.043 12.825 3.184) 16.597 3.070 ( 14.122 7.040 -2.754) 16.018 3.557 ( 9.178 -4.447 4.764) 11.257 3.637 ( 4.170 -0.056 3.079) 5.184 3.916 ( 4.793 0.988 7.681) 9.107 4.135 ( 10.074 0.226 -0.829) 10.111 4.203 ( 17.035 -0.194 1.011) 17.066 4.295 ( 2.808 -2.134 0.744) 3.604 4.356 ( -4.330 0.147 -2.419) 4.962 4.508 ( 6.768 -1.052 3.425) 7.658 4.621 ( 0.985 3.604 1.712) 4.110 4.870 ( 3.073 -8.005 -3.259) 9.173 5.244 ( 8.863 3.276 -7.994) 12.378 5.426 ( -1.685 -5.259 2.830) 6.205 5.545 ( 4.395 -0.216 0.547) 4.434 5.749 ( 7.368 4.467 -2.940) 9.104 5.996 ( 3.254 2.629 2.706) 4.982 6.530 ( 1.852 0.473 1.130) 2.220 6.580 ( 1.835 -0.652 3.452) 3.963 6.678 ( -4.589 2.530 -1.601) 5.479 7.148 ( 4.376 -2.500 1.375) 5.224 7.217 ( 1.996 -1.974 -0.523) 2.855 7.800 ( -4.961 -4.613 -5.435) 8.685 7.953 ( -0.567 -5.433 2.370) 5.954 10.405 ( -0.080 -0.320 0.744) 0.814 10.498 ( 0.390 0.610 -0.428) 0.841 13.932 ( -0.259 0.078 0.103) 0.289 13.998 ( -0.237 -0.136 0.106) 0.294 14.983 ( 3.314 -0.980 -1.779) 3.887 15.164 ( 1.964 -0.667 2.198) 3.023 16.704 ( 0.074 0.935 -0.830) 1.253 16.750 ( -0.446 1.561 0.530) 1.707 22.254 ( -2.249 -0.944 0.735) 2.547 22.289 ( -1.773 -0.108 -0.872) 1.979 25.100 ( -0.288 -0.124 -0.117) 0.334 25.103 ( -0.420 0.026 0.053) 0.425 25.812 ( 0.763 -1.234 -0.069) 1.452 25.862 ( 0.103 0.582 0.099) 0.600 39.644 ( -1.910 -3.027 -0.144) 3.582 39.712 ( -3.596 -0.630 0.191) 3.655 42.529 ( 0.227 -0.030 0.106) 0.252 42.558 ( 0.009 0.097 0.012) 0.098 47.898 ( -4.450 5.045 -0.230) 6.731 48.209 ( -11.594 5.618 1.234) 12.942 48.442 ( -6.905 7.866 -1.728) 10.608 48.591 ( -10.354 7.575 0.941) 12.864 ======================= Grid point 155 (61/180) ======================= q-point: ( 0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 9.032 2.165 -7.785) 12.119 2.872 ( 4.935 5.674 -5.116) 9.095 3.008 ( 2.659 8.350 2.479) 9.107 3.411 ( 16.027 5.515 -3.801) 17.370 3.613 ( -2.951 1.723 6.654) 7.480 3.773 ( 8.691 -9.892 3.449) 13.612 4.077 ( 3.876 1.470 -2.802) 5.004 4.164 ( -2.685 -5.203 4.701) 7.509 4.218 ( -5.280 3.216 0.115) 6.183 4.362 ( 3.924 -1.615 0.032) 4.243 4.495 ( 5.587 6.248 -2.883) 8.864 4.600 ( 3.603 0.143 0.737) 3.681 4.637 ( 1.606 -1.410 4.760) 5.218 4.951 ( 5.433 -15.501 -5.045) 17.183 5.309 ( -6.181 -4.349 -0.999) 7.624 5.435 ( 6.844 1.856 -10.027) 12.281 5.588 ( 0.439 -4.074 6.371) 7.575 5.870 ( 4.528 1.913 -2.351) 5.448 6.101 ( 4.080 5.562 9.770) 11.960 6.539 ( 0.215 0.785 0.170) 0.832 6.588 ( -2.336 1.093 -1.168) 2.831 6.668 ( 3.433 1.428 2.037) 4.240 7.215 ( 1.690 -2.370 0.711) 2.996 7.252 ( 1.209 -2.605 -1.568) 3.272 7.723 ( -1.491 -1.115 -2.923) 3.466 7.932 ( -1.668 -4.141 -0.011) 4.465 10.404 ( -0.137 0.173 1.084) 1.106 10.504 ( 0.214 -0.031 -1.072) 1.093 13.930 ( 0.102 0.178 0.312) 0.373 13.992 ( -0.340 -0.064 -0.142) 0.374 15.038 ( 2.177 -0.219 -0.071) 2.189 15.185 ( 0.042 -0.525 0.483) 0.715 16.708 ( 0.432 1.259 -0.420) 1.396 16.741 ( -0.535 1.082 0.430) 1.282 22.218 ( -1.326 -0.524 0.873) 1.672 22.260 ( -0.878 -0.444 -0.970) 1.382 25.094 ( -0.282 -0.016 0.168) 0.328 25.097 ( -0.126 -0.059 -0.219) 0.260 25.827 ( 0.654 -0.697 0.046) 0.957 25.861 ( -0.150 0.054 -0.051) 0.167 39.614 ( -1.141 -2.198 0.897) 2.634 39.654 ( -1.820 -0.767 -0.987) 2.208 42.532 ( 0.132 0.020 0.214) 0.252 42.558 ( -0.034 0.055 -0.126) 0.142 47.840 ( -1.062 5.630 -0.251) 5.735 48.004 ( -7.837 6.882 0.745) 10.457 48.347 ( -2.377 3.960 -0.999) 4.726 48.415 ( -6.600 5.405 0.614) 8.553 ======================= Grid point 156 (62/180) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 4.091 5.966 -4.958) 8.770 2.851 ( -5.597 8.996 -8.993) 13.897 3.107 ( 5.376 3.045 7.908) 10.036 3.537 ( -4.546 1.076 3.336) 5.740 3.613 ( -0.080 5.797 -5.983) 8.331 3.821 ( -5.828 -9.543 -1.016) 11.228 4.050 ( -2.245 -2.382 0.336) 3.290 4.077 ( 4.212 -1.245 0.781) 4.461 4.339 ( 4.124 3.589 3.385) 6.430 4.389 ( 0.728 1.492 4.962) 5.232 4.467 ( -1.285 2.744 0.425) 3.060 4.635 ( -2.717 -2.460 5.658) 6.741 4.719 ( 3.585 -0.938 -6.958) 7.883 5.004 ( -2.448 -13.888 -8.571) 16.502 5.217 ( 0.773 -7.251 2.780) 7.804 5.520 ( 1.465 -3.460 -8.215) 9.034 5.608 ( 1.432 -0.839 3.731) 4.083 5.907 ( -1.346 2.305 -0.708) 2.762 6.150 ( 0.300 3.435 12.000) 12.485 6.546 ( -0.706 4.181 -2.785) 5.073 6.548 ( -1.036 2.186 1.291) 2.742 6.736 ( 3.084 -0.684 2.517) 4.039 7.212 ( -1.571 -2.198 -1.087) 2.912 7.260 ( -0.661 -2.356 -2.020) 3.173 7.739 ( 2.846 0.041 0.522) 2.894 7.888 ( -2.249 -3.752 -2.504) 5.040 10.401 ( -0.226 0.408 1.128) 1.221 10.505 ( -0.046 -0.333 -1.328) 1.370 13.936 ( 0.408 0.218 0.657) 0.804 13.985 ( -0.317 -0.047 -0.492) 0.587 15.075 ( 1.378 -0.106 1.352) 1.933 15.171 ( -1.272 -0.390 -0.924) 1.620 16.721 ( 0.807 1.431 0.118) 1.647 16.729 ( -0.612 0.850 0.047) 1.048 22.200 ( -0.458 -0.275 0.601) 0.804 22.254 ( 0.415 -0.654 -0.686) 1.035 25.089 ( -0.155 0.017 0.067) 0.169 25.097 ( 0.144 -0.084 -0.115) 0.203 25.836 ( 0.136 -0.286 0.239) 0.397 25.857 ( -0.150 -0.378 -0.258) 0.482 39.588 ( -1.358 -1.376 0.624) 2.032 39.647 ( 1.198 -1.352 -0.783) 1.968 42.535 ( 0.087 0.074 0.304) 0.324 42.557 ( -0.057 0.001 -0.218) 0.225 47.851 ( 1.485 6.333 0.654) 6.537 47.901 ( -1.574 6.451 -0.534) 6.662 48.318 ( -1.374 3.810 0.364) 4.066 48.350 ( 1.467 3.887 -0.405) 4.174 ======================= Grid point 157 (63/180) ======================= q-point: (-0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -10.179 4.080 -2.465) 11.240 2.703 ( -6.250 9.980 -10.942) 16.074 3.180 ( -0.432 1.923 5.843) 6.166 3.369 ( -12.884 0.712 -2.986) 13.245 3.506 ( -1.968 1.991 1.043) 2.987 3.671 ( -8.266 -6.858 0.826) 10.773 4.047 ( 1.047 3.695 -5.313) 6.556 4.151 ( -5.246 -2.031 4.548) 7.234 4.252 ( -3.083 2.835 4.012) 5.800 4.448 ( -4.746 -2.295 0.667) 5.314 4.489 ( 2.626 -1.207 1.792) 3.400 4.564 ( -3.968 -0.216 3.408) 5.235 4.703 ( -0.923 2.656 -2.973) 4.092 4.934 ( -1.409 -7.898 -4.657) 9.277 5.289 ( 3.529 -10.562 0.789) 11.164 5.509 ( -1.367 -3.395 -0.257) 3.669 5.612 ( -2.257 -2.597 -5.957) 6.879 5.814 ( -6.836 5.540 1.584) 8.941 6.168 ( 0.709 1.859 9.882) 10.080 6.462 ( -5.719 5.384 -4.973) 9.296 6.557 ( 0.118 3.783 4.541) 5.912 6.814 ( 4.289 -2.300 2.920) 5.676 7.167 ( -2.671 -1.718 -0.862) 3.291 7.213 ( -3.368 -1.362 -2.954) 4.683 7.795 ( 0.207 -5.277 -1.454) 5.477 7.867 ( 2.259 -1.510 -1.082) 2.925 10.398 ( -0.109 0.246 0.964) 1.001 10.499 ( -0.411 -0.159 -1.180) 1.259 13.947 ( 0.566 0.189 1.000) 1.165 13.980 ( -0.054 -0.126 -0.732) 0.745 15.094 ( -0.163 -0.973 1.897) 2.138 15.135 ( -1.710 0.113 -1.357) 2.186 16.717 ( -0.511 0.792 -0.303) 0.990 16.741 ( 1.020 1.459 0.498) 1.848 22.200 ( 0.457 -0.285 0.178) 0.568 22.275 ( 1.566 -0.625 -0.331) 1.719 25.088 ( 0.047 0.032 -0.062) 0.084 25.102 ( 0.328 -0.102 -0.002) 0.343 25.830 ( -0.642 -0.759 0.146) 1.005 25.857 ( 0.105 0.099 -0.165) 0.219 39.567 ( -0.674 -1.339 -0.443) 1.563 39.693 ( 3.161 -1.495 0.185) 3.502 42.537 ( 0.069 0.102 0.390) 0.408 42.555 ( -0.092 -0.051 -0.270) 0.290 47.875 ( 2.170 4.609 0.492) 5.119 47.960 ( 5.692 7.873 -0.228) 9.718 48.341 ( 4.101 4.482 -0.844) 6.134 48.430 ( 5.948 4.934 0.699) 7.759 ======================= Grid point 158 (64/180) ======================= q-point: (-0.36 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -19.550 -0.235 -5.993) 20.449 2.478 ( -16.344 8.075 -7.307) 19.640 3.068 ( -8.878 2.024 -6.368) 11.112 3.119 ( -11.420 5.344 -0.623) 12.624 3.515 ( -0.791 -1.510 8.726) 8.891 3.574 ( 1.345 -5.070 1.158) 5.372 3.883 ( -15.444 2.490 4.523) 16.284 4.012 ( -9.650 -1.749 -4.464) 10.775 4.170 ( -5.645 3.228 -1.165) 6.606 4.302 ( -4.719 -1.117 0.924) 4.936 4.402 ( -10.542 0.137 1.897) 10.712 4.494 ( -4.218 2.047 4.875) 6.764 4.771 ( 4.101 5.613 1.389) 7.089 4.914 ( -0.741 -4.390 -3.095) 5.422 5.310 ( -3.677 -8.485 1.506) 9.369 5.473 ( -3.271 -4.449 -7.889) 9.630 5.496 ( -4.637 -3.295 3.230) 6.541 5.677 ( -6.343 6.114 -0.575) 8.829 6.199 ( 1.414 3.229 6.690) 7.562 6.324 ( -6.503 2.245 -6.106) 9.198 6.555 ( -0.819 3.604 5.439) 6.576 6.909 ( 4.270 -1.092 3.299) 5.506 7.091 ( -4.276 -2.246 -2.376) 5.383 7.141 ( -2.980 0.744 -0.890) 3.198 7.766 ( -1.293 -4.964 -5.621) 7.610 7.950 ( 4.348 -6.279 1.728) 7.831 10.400 ( 0.209 -0.322 0.724) 0.820 10.486 ( -0.699 0.435 -0.771) 1.128 13.960 ( 0.530 0.029 1.073) 1.197 13.983 ( 0.464 -0.215 -0.596) 0.786 15.037 ( -4.748 -1.047 -2.122) 5.305 15.130 ( 0.371 -0.981 2.933) 3.115 16.708 ( -0.238 0.787 -0.519) 0.972 16.762 ( 0.999 1.441 0.589) 1.850 22.218 ( 1.190 -0.280 -0.334) 1.267 22.315 ( 2.286 -0.589 -0.013) 2.360 25.091 ( 0.258 0.038 -0.157) 0.305 25.110 ( 0.379 -0.117 0.056) 0.401 25.814 ( -0.897 -1.302 -0.031) 1.581 25.858 ( -0.004 0.629 0.033) 0.630 39.559 ( -0.092 -1.446 -1.297) 1.945 39.774 ( 4.546 -1.757 0.858) 4.949 42.538 ( 0.044 0.070 0.471) 0.478 42.552 ( -0.160 -0.075 -0.276) 0.327 47.957 ( 5.467 3.269 1.342) 6.510 48.104 ( 8.240 8.109 -1.498) 11.657 48.490 ( 10.377 7.499 -0.721) 12.823 48.591 ( 9.395 7.272 1.152) 11.937 ======================= Grid point 159 (65/180) ======================= q-point: (-0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -22.873 -4.763 -4.951) 23.882 2.055 ( -22.416 7.794 -6.201) 24.529 2.806 ( -16.169 7.611 2.135) 17.997 2.888 ( -11.279 2.605 -15.503) 19.348 3.477 ( -18.811 5.426 2.276) 19.710 3.493 ( -4.110 -2.620 0.911) 4.959 3.632 ( -2.832 -2.823 6.232) 7.404 3.805 ( -6.650 2.113 3.445) 7.782 4.014 ( -7.862 0.041 1.821) 8.070 4.160 ( -11.450 0.271 1.394) 11.538 4.248 ( -4.412 1.381 -0.554) 4.656 4.367 ( -6.033 5.796 5.113) 9.805 4.704 ( -10.671 7.726 4.042) 13.780 4.942 ( 2.107 -3.263 -3.346) 5.126 5.100 ( -12.803 -1.877 -5.503) 14.061 5.404 ( -2.495 -6.713 -3.662) 8.043 5.467 ( -3.076 -4.269 5.182) 7.385 5.544 ( -4.955 3.599 0.825) 6.180 6.172 ( -6.503 -2.514 -6.178) 9.316 6.246 ( 1.269 5.781 1.167) 6.033 6.540 ( -0.654 1.530 5.720) 5.957 6.944 ( -2.774 -2.266 2.920) 4.622 7.058 ( 3.284 0.226 -3.339) 4.689 7.084 ( -2.655 2.540 0.913) 3.786 7.747 ( -0.178 -2.076 -4.926) 5.349 8.042 ( 4.783 -10.936 1.067) 11.984 10.407 ( 0.288 -1.155 0.367) 1.246 10.472 ( -0.453 1.204 -0.161) 1.297 13.971 ( 0.445 -0.295 0.797) 0.959 13.998 ( 0.938 -0.200 -0.094) 0.964 14.909 ( -7.338 -0.904 -3.102) 8.018 15.137 ( -0.154 -3.552 4.354) 5.622 16.706 ( 0.038 0.899 -0.646) 1.108 16.782 ( 0.838 1.276 0.332) 1.562 22.245 ( 1.307 -0.112 -1.063) 1.688 22.367 ( 2.663 -0.638 0.368) 2.763 25.098 ( 0.402 0.024 -0.222) 0.460 25.117 ( 0.286 -0.114 0.073) 0.316 25.795 ( -0.854 -1.584 -0.106) 1.802 25.857 ( -0.101 0.823 0.181) 0.849 39.557 ( -0.016 -1.432 -2.024) 2.480 39.878 ( 5.328 -2.259 1.339) 5.941 42.539 ( -0.065 -0.144 0.406) 0.435 42.548 ( -0.198 0.058 -0.092) 0.226 48.090 ( 6.896 2.624 3.183) 8.036 48.297 ( 10.656 7.707 -4.898) 14.034 48.756 ( 14.757 12.410 2.068) 19.392 48.817 ( 12.557 10.728 0.292) 16.518 ======================= Grid point 160 (66/180) ======================= q-point: (-0.21 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -21.121 -5.247 -2.026) 21.857 1.590 ( -21.287 12.880 -0.483) 24.885 2.423 ( -21.191 6.088 3.791) 22.371 2.576 ( -17.465 3.015 -19.833) 26.599 3.052 ( -19.370 13.130 0.977) 23.422 3.346 ( -12.823 4.666 -2.715) 13.913 3.466 ( -10.268 5.341 0.175) 11.575 3.772 ( -0.166 1.106 12.072) 12.124 3.872 ( -7.895 -2.019 4.626) 9.371 3.981 ( -5.378 -4.625 -5.754) 9.134 4.097 ( -7.560 1.024 4.423) 8.819 4.303 ( -2.450 6.953 4.971) 8.892 4.430 ( -13.432 4.531 5.299) 15.134 4.828 ( -9.449 -0.299 -8.643) 12.809 4.958 ( -3.145 0.647 -6.519) 7.267 5.262 ( -11.720 -0.598 0.334) 11.740 5.365 ( -5.079 -7.182 2.034) 9.029 5.502 ( -2.193 -2.858 2.058) 4.149 6.021 ( -6.720 -0.288 -5.622) 8.766 6.277 ( 1.509 0.577 0.536) 1.702 6.555 ( 1.629 0.402 4.658) 4.951 6.863 ( -4.442 -3.699 1.660) 6.014 7.035 ( -1.971 3.562 1.462) 4.326 7.168 ( 6.868 1.845 -2.579) 7.565 7.738 ( -0.638 -0.593 -2.283) 2.444 8.171 ( 8.224 -8.230 0.153) 11.635 10.408 ( -0.195 -1.284 0.032) 1.299 10.472 ( 0.460 1.095 0.387) 1.249 13.980 ( 0.389 -0.557 0.489) 0.837 14.020 ( 1.130 -0.215 0.319) 1.193 14.733 ( -9.248 -0.891 -3.307) 9.862 15.125 ( -1.687 -7.959 4.747) 9.419 16.707 ( 0.123 1.116 -0.972) 1.485 16.797 ( 0.586 0.792 -0.090) 0.990 22.264 ( 0.550 0.188 -1.841) 1.931 22.425 ( 2.865 -0.668 0.829) 3.057 25.107 ( 0.419 -0.015 -0.270) 0.499 25.121 ( 0.130 -0.081 0.112) 0.190 25.780 ( -0.541 -1.569 -0.056) 1.661 25.855 ( -0.094 0.730 0.294) 0.793 39.550 ( -0.535 -0.972 -2.264) 2.521 39.992 ( 5.413 -2.955 1.603) 6.373 42.535 ( -0.308 -0.543 -0.101) 0.632 42.545 ( -0.156 0.376 0.528) 0.667 48.237 ( 6.745 3.052 4.403) 8.614 48.527 ( 11.900 6.782 -7.809) 15.767 49.054 ( 13.363 15.227 3.252) 20.518 49.146 ( 19.690 19.683 1.254) 27.870 ======================= Grid point 161 (67/180) ======================= q-point: (-0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -11.746 6.581 3.829) 13.998 1.220 ( -14.154 20.113 12.654) 27.658 1.959 ( -22.586 10.105 6.781) 25.656 2.164 ( -19.349 3.908 -18.622) 27.137 2.680 ( -16.979 19.714 -3.837) 26.299 3.035 ( -15.059 8.547 -0.297) 17.318 3.241 ( -11.448 14.956 1.252) 18.876 3.718 ( -6.302 -0.179 0.453) 6.321 3.746 ( -5.497 -2.069 5.279) 7.898 3.837 ( -7.507 -7.729 -5.582) 12.135 3.999 ( -1.003 -1.283 4.626) 4.905 4.217 ( -3.501 3.051 7.015) 8.413 4.316 ( -0.688 2.069 1.037) 2.415 4.672 ( -4.828 0.474 -8.670) 9.935 4.841 ( -7.411 0.357 -5.895) 9.476 4.982 ( -14.469 2.443 2.063) 14.818 5.205 ( -11.079 -8.921 -1.792) 14.337 5.408 ( -7.434 -3.514 -5.436) 9.857 5.910 ( -3.615 -0.263 -0.812) 3.714 6.317 ( 2.374 -5.132 2.923) 6.365 6.604 ( 2.365 -0.257 2.577) 3.508 6.772 ( -4.333 -5.056 2.009) 6.955 7.018 ( 0.454 4.014 4.219) 5.841 7.322 ( 7.532 -0.098 -0.350) 7.541 7.721 ( -0.195 0.472 -0.338) 0.612 8.399 ( 14.201 3.203 -1.497) 14.634 10.402 ( -0.252 -0.723 0.152) 0.780 10.487 ( 0.797 0.142 0.386) 0.897 13.987 ( 0.265 -0.647 -0.003) 0.699 14.044 ( 1.131 -0.377 0.694) 1.379 14.534 ( -9.232 -0.851 -3.075) 9.768 15.053 ( -6.616 -15.035 2.826) 16.668 16.707 ( -0.046 1.242 -1.610) 2.035 16.805 ( 0.179 -0.103 -0.244) 0.320 22.263 ( -0.346 0.679 -1.239) 1.454 22.485 ( 2.748 -0.529 1.095) 3.005 25.114 ( 0.348 -0.061 -0.266) 0.443 25.123 ( 0.060 -0.004 0.202) 0.211 25.774 ( -0.019 -1.167 0.101) 1.171 25.854 ( -0.028 0.506 0.371) 0.628 39.533 ( -0.668 0.467 -0.159) 0.831 40.099 ( 4.588 -3.641 1.281) 5.996 42.528 ( -0.328 -0.616 -0.374) 0.792 42.541 ( -0.374 0.448 0.786) 0.979 48.369 ( 5.504 4.243 4.686) 8.382 48.755 ( 10.428 4.838 -8.953) 14.571 49.322 ( 12.037 18.466 2.430) 22.176 49.635 ( 28.513 33.442 0.917) 43.957 ======================= Grid point 162 (68/180) ======================= q-point: (-0.07 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -5.286 19.397 13.187) 24.044 1.033 ( -5.433 20.323 23.362) 31.437 1.623 ( -8.069 30.698 16.178) 35.626 1.805 ( -11.870 9.645 -15.747) 21.952 2.357 ( -12.199 20.463 -8.079) 25.156 2.783 ( -8.535 6.313 0.305) 10.621 3.003 ( -11.075 16.961 3.098) 20.492 3.584 ( -5.981 -6.029 3.060) 9.027 3.655 ( -1.356 2.852 -8.003) 8.604 3.727 ( -1.329 -2.352 -1.220) 2.964 4.071 ( 3.774 -3.988 -0.249) 5.496 4.139 ( -4.312 -4.889 1.564) 6.704 4.318 ( 0.279 -1.088 -3.379) 3.561 4.566 ( -12.261 -0.210 0.708) 12.284 4.649 ( -3.841 0.365 -1.385) 4.099 4.747 ( -8.779 4.028 -5.042) 10.896 4.914 ( -14.658 -3.801 -7.796) 17.032 5.163 ( -14.318 0.570 -9.805) 17.362 5.871 ( -0.253 -1.038 3.583) 3.739 6.377 ( 2.787 -8.554 2.201) 9.262 6.644 ( 1.255 -1.637 -0.774) 2.203 6.707 ( -1.543 -8.757 5.025) 10.213 7.072 ( 3.851 1.218 11.755) 12.429 7.426 ( 1.451 -7.745 3.601) 8.663 7.774 ( 5.696 7.102 2.736) 9.506 8.757 ( 19.774 13.396 -11.424) 26.476 10.400 ( -0.018 -0.392 0.413) 0.570 10.503 ( 0.653 -0.607 0.104) 0.898 13.991 ( 0.137 -0.489 -0.502) 0.714 14.063 ( 0.380 -0.858 0.804) 1.235 14.372 ( -5.326 -0.665 -2.202) 5.801 14.789 ( -20.441 -19.100 -1.444) 28.012 16.705 ( 0.132 1.084 -1.291) 1.691 16.806 ( 0.061 -0.865 0.168) 0.883 22.274 ( 2.454 0.385 4.038) 4.741 22.536 ( 2.099 -0.352 0.621) 2.217 25.121 ( 0.291 -0.063 -0.115) 0.320 25.124 ( 0.040 0.044 0.156) 0.167 25.780 ( 0.495 -0.333 0.202) 0.630 25.853 ( -0.172 0.116 0.289) 0.356 39.559 ( 4.339 0.828 8.379) 9.472 40.176 ( 2.771 -4.152 -0.513) 5.018 42.523 ( -0.122 -0.346 -0.171) 0.404 42.530 ( -0.592 0.420 0.358) 0.809 48.465 ( 3.210 5.581 4.511) 7.861 48.924 ( 6.373 2.261 -8.758) 11.065 49.535 ( 7.760 20.613 3.784) 22.349 50.348 ( 39.031 45.881 -19.779) 63.401 ======================= Grid point 163 (69/180) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -3.017 14.897 7.079) 16.767 1.538 ( 7.444 17.492 5.241) 19.720 1.795 ( 1.039 12.301 6.253) 13.838 2.525 ( -8.688 22.501 -1.156) 24.147 2.746 ( -0.455 5.975 4.736) 7.638 2.969 ( 15.404 40.608 2.524) 43.505 3.181 ( -5.137 7.377 -8.931) 12.671 3.474 ( -4.191 2.813 5.633) 7.563 3.662 ( -5.031 11.505 -14.642) 19.289 3.692 ( 4.309 -3.112 -3.601) 6.420 4.018 ( 2.741 1.932 -2.677) 4.291 4.054 ( 3.105 -1.537 3.267) 4.761 4.221 ( -6.269 2.812 2.172) 7.205 4.432 ( 0.196 0.554 0.305) 0.662 4.542 ( -1.096 -5.269 2.960) 6.142 4.668 ( -3.137 1.021 0.405) 3.324 4.877 ( 0.498 4.104 -3.513) 5.425 4.997 ( -1.498 1.060 -6.959) 7.196 5.924 ( 3.993 0.990 4.461) 6.068 6.227 ( 2.033 -9.480 3.476) 10.299 6.416 ( -2.177 -10.680 -0.320) 10.904 6.677 ( 0.292 0.816 -7.142) 7.194 7.146 ( 0.808 1.736 9.075) 9.275 7.311 ( -0.241 -3.507 4.376) 5.613 7.966 ( 2.395 -1.074 7.242) 7.703 8.911 ( -3.588 -12.014 -17.507) 21.534 10.404 ( 0.260 0.579 1.226) 1.381 10.496 ( 0.067 -0.387 -0.200) 0.441 13.990 ( 0.656 -0.644 -0.136) 0.929 14.021 ( -0.866 -1.652 -0.043) 1.866 14.296 ( -3.250 -0.294 1.690) 3.675 14.360 ( 0.885 -1.147 -0.345) 1.489 16.731 ( 1.381 0.098 -0.336) 1.424 16.804 ( -0.172 0.476 0.476) 0.695 22.336 ( 2.391 -0.093 4.008) 4.668 22.520 ( -0.390 -2.569 -0.938) 2.763 25.121 ( -0.237 0.014 0.053) 0.243 25.127 ( 0.214 -0.043 -0.065) 0.228 25.796 ( 1.268 -0.556 0.182) 1.396 25.833 ( -1.659 0.245 0.305) 1.704 39.649 ( 2.685 -0.907 7.593) 8.105 40.040 ( -0.821 -8.521 -3.164) 9.126 42.519 ( -0.596 0.388 0.198) 0.738 42.534 ( 0.546 0.093 -0.164) 0.577 48.663 ( 0.127 8.206 3.879) 9.078 48.997 ( 0.146 0.445 -3.867) 3.895 50.132 ( 0.081 25.125 6.533) 25.961 51.274 ( -2.155 9.545 -28.197) 29.846 ======================= Grid point 164 (70/180) ======================= q-point: ( 0.07 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 14.757 15.345 4.975) 21.863 1.787 ( 11.085 23.120 13.260) 28.866 1.925 ( 12.002 6.829 -5.998) 15.055 2.350 ( -4.646 29.577 7.080) 30.765 2.809 ( 6.821 3.089 -0.019) 7.488 3.114 ( 4.081 11.159 3.852) 12.491 3.232 ( 3.062 14.868 -14.656) 21.100 3.462 ( 2.420 -2.414 1.713) 3.823 3.651 ( 7.483 10.337 -7.834) 14.974 3.776 ( 2.464 0.066 -1.468) 2.869 4.003 ( -4.564 1.956 5.535) 7.436 4.170 ( 9.314 13.030 1.901) 16.129 4.270 ( 10.539 1.778 -3.868) 11.366 4.392 ( -5.196 0.544 2.545) 5.811 4.569 ( 4.567 -4.600 0.201) 6.486 4.770 ( 10.963 -1.228 -1.994) 11.211 4.947 ( 7.484 4.012 -2.008) 8.726 5.040 ( 4.650 1.919 -6.076) 7.888 6.031 ( 5.442 1.283 7.445) 9.311 6.251 ( -0.588 -4.673 -6.861) 8.322 6.415 ( 2.600 -17.512 5.662) 18.587 6.687 ( 1.197 0.170 -4.560) 4.718 7.152 ( -0.759 2.604 6.711) 7.238 7.309 ( -0.503 -5.083 3.812) 6.374 7.950 ( -4.689 -0.937 7.859) 9.200 8.634 ( -18.586 -8.367 -15.277) 25.472 10.408 ( -0.105 0.403 1.216) 1.285 10.497 ( 0.176 0.198 -0.289) 0.392 13.979 ( -1.144 -0.433 -0.442) 1.300 14.016 ( -0.327 -1.522 0.126) 1.561 14.328 ( 6.780 -0.464 -1.353) 6.929 14.486 ( 9.305 -2.238 1.338) 9.663 16.750 ( 0.063 1.489 -0.574) 1.597 16.810 ( 0.815 -0.974 0.354) 1.318 22.382 ( 1.240 -1.605 3.854) 4.355 22.490 ( -2.367 -2.666 -1.285) 3.789 25.115 ( -0.294 0.035 -0.076) 0.305 25.130 ( 0.051 -0.069 0.099) 0.131 25.789 ( -1.796 -0.674 0.371) 1.954 25.826 ( 1.098 0.510 0.165) 1.222 39.695 ( 0.692 -3.987 7.657) 8.660 39.997 ( -2.898 -7.460 -3.664) 8.802 42.509 ( -0.278 0.368 -0.217) 0.510 42.547 ( 0.545 0.043 0.274) 0.612 48.624 ( -4.266 8.469 3.921) 10.261 48.950 ( -4.220 0.191 -3.879) 5.735 50.041 ( -9.170 24.415 5.742) 26.705 50.879 ( -29.230 20.728 -20.661) 41.363 ======================= Grid point 165 (71/180) ======================= q-point: ( 0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 8.206 26.397 5.440) 28.173 1.881 ( 7.735 24.255 -0.919) 25.475 2.322 ( 22.318 5.617 -4.189) 23.393 2.507 ( 16.766 12.844 15.664) 26.295 2.956 ( 5.199 3.781 -9.148) 11.181 3.228 ( 4.449 9.187 4.039) 10.978 3.287 ( 8.117 3.554 -11.631) 14.622 3.564 ( 6.962 0.145 0.200) 6.966 3.818 ( 3.486 2.063 1.526) 4.329 3.864 ( 10.807 -3.327 -5.258) 12.470 3.963 ( 0.977 0.390 7.432) 7.506 4.248 ( -5.584 0.043 4.206) 6.991 4.415 ( 9.799 21.045 2.614) 23.361 4.472 ( 8.623 0.440 -3.608) 9.358 4.782 ( 15.101 -1.827 -3.485) 15.605 5.011 ( 11.507 1.211 0.668) 11.590 5.126 ( 5.658 1.368 1.374) 5.981 5.165 ( 10.733 2.020 -7.599) 13.305 6.143 ( 2.771 -2.597 3.591) 5.227 6.209 ( -0.001 1.549 -7.793) 7.946 6.505 ( 4.105 -16.857 8.298) 19.232 6.718 ( 2.250 -0.805 -1.472) 2.806 7.135 ( -1.302 3.055 1.318) 3.573 7.278 ( -3.326 -6.654 1.918) 7.682 7.814 ( -7.272 1.996 3.429) 8.284 8.239 ( -16.877 -10.291 -6.221) 20.723 10.403 ( -0.389 0.006 0.703) 0.803 10.503 ( 0.366 0.867 0.215) 0.966 13.959 ( -0.716 -0.274 -0.544) 0.940 14.006 ( -0.522 -0.928 0.149) 1.075 14.511 ( 9.878 -2.480 -2.583) 10.507 14.704 ( 10.754 -3.112 2.252) 11.420 16.740 ( -0.641 1.558 -1.202) 2.069 16.824 ( 0.241 -0.187 0.195) 0.362 22.388 ( -0.754 -1.268 1.594) 2.172 22.427 ( -3.431 -2.255 -0.452) 4.130 25.111 ( -0.143 -0.065 -0.132) 0.205 25.128 ( -0.198 -0.055 0.178) 0.272 25.761 ( -0.837 -0.734 0.182) 1.128 25.847 ( 0.877 0.373 0.399) 1.033 39.691 ( -1.464 -4.623 5.252) 7.148 39.923 ( -3.830 -5.564 -2.854) 7.332 42.508 ( 0.196 0.222 -0.371) 0.474 42.555 ( 0.244 0.091 0.472) 0.539 48.502 ( -7.561 8.649 3.402) 11.981 48.824 ( -7.441 0.191 -3.589) 8.264 49.785 ( -15.380 22.630 3.050) 27.531 50.211 ( -31.572 27.592 -8.388) 42.760 ======================= Grid point 166 (72/180) ======================= q-point: ( 0.21 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 6.200 28.507 0.970) 29.190 2.224 ( 20.768 12.375 -0.975) 24.195 2.737 ( 17.067 5.928 5.415) 18.861 2.943 ( 21.903 5.149 2.581) 22.647 2.989 ( 1.117 9.261 -16.011) 18.530 3.329 ( 5.002 2.220 6.055) 8.162 3.517 ( 13.279 3.189 -4.682) 14.437 3.739 ( 9.755 0.668 0.524) 9.792 3.905 ( 2.956 -0.677 7.595) 8.178 3.999 ( 4.046 -0.161 5.079) 6.495 4.109 ( 10.490 -5.050 -2.590) 11.927 4.202 ( 2.003 -2.203 -0.190) 2.984 4.515 ( 3.001 -2.935 -5.919) 7.256 4.704 ( 10.763 18.631 8.093) 22.988 5.069 ( 9.982 -3.417 -2.461) 10.834 5.156 ( 3.786 2.487 -0.937) 4.626 5.316 ( 12.366 0.805 2.104) 12.570 5.387 ( 11.061 4.859 -4.948) 13.055 6.088 ( -3.970 -2.124 -11.427) 12.282 6.315 ( 6.616 1.409 5.267) 8.573 6.557 ( -0.253 -9.111 7.634) 11.889 6.790 ( 5.029 -3.148 0.190) 5.936 7.064 ( -6.802 0.099 -5.037) 8.464 7.197 ( -2.530 -1.015 1.456) 3.091 7.733 ( -0.422 -1.026 0.302) 1.150 7.946 ( -11.330 -13.883 0.261) 17.922 10.396 ( -0.261 -0.206 0.319) 0.461 10.510 ( 0.228 0.978 0.492) 1.119 13.948 ( -0.410 -0.110 -0.338) 0.543 13.998 ( -0.287 -0.735 0.208) 0.816 14.703 ( 8.678 -2.336 -2.563) 9.345 14.910 ( 8.682 -2.946 2.791) 9.583 16.728 ( -0.322 1.305 -1.122) 1.751 16.820 ( -0.603 0.971 -0.065) 1.145 22.351 ( -3.267 -1.100 -1.653) 3.823 22.364 ( -2.018 -1.288 1.851) 3.026 25.107 ( -0.174 -0.123 -0.181) 0.280 25.122 ( -0.398 -0.024 0.187) 0.440 25.756 ( 0.242 -0.916 0.075) 0.950 25.862 ( 0.532 0.341 0.367) 0.731 39.654 ( -2.184 -3.972 2.818) 5.338 39.839 ( -4.029 -3.914 -1.757) 5.885 42.514 ( 0.391 0.109 -0.324) 0.520 42.559 ( 0.089 0.117 0.439) 0.463 48.333 ( -8.610 8.526 2.389) 12.351 48.648 ( -8.934 0.426 -2.846) 9.386 49.441 ( -17.544 19.909 0.947) 26.553 49.604 ( -26.574 24.828 -1.888) 36.417 ======================= Grid point 167 (73/180) ======================= q-point: ( 0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 17.125 15.029 -1.135) 22.812 2.628 ( 16.820 8.283 -2.709) 18.944 2.978 ( 6.477 6.608 -12.074) 15.212 3.071 ( 8.647 12.743 6.074) 16.555 3.329 ( 13.082 3.667 -3.971) 14.155 3.463 ( 8.872 -0.972 5.027) 10.243 3.813 ( 15.538 -0.088 0.655) 15.552 3.901 ( -0.714 -0.444 9.998) 10.033 3.964 ( 9.861 1.909 3.287) 10.568 4.132 ( 6.949 -2.055 -0.441) 7.260 4.293 ( 5.777 -3.274 -1.688) 6.851 4.305 ( 7.598 -6.671 -0.011) 10.110 4.552 ( 1.215 -3.671 -5.294) 6.556 4.887 ( 5.027 12.229 6.019) 14.527 5.146 ( 2.289 -1.354 -1.615) 3.112 5.256 ( 3.028 -5.319 -0.448) 6.137 5.519 ( 6.631 3.879 3.327) 8.371 5.643 ( 12.757 4.158 -3.745) 13.931 6.005 ( -2.149 0.002 -9.924) 10.154 6.454 ( 6.205 0.475 4.686) 7.790 6.532 ( -1.422 -3.861 1.842) 4.508 6.865 ( -5.520 2.645 0.562) 6.147 6.942 ( 4.000 -6.817 -1.764) 8.098 7.183 ( 0.389 1.170 0.322) 1.274 7.724 ( -3.538 -10.516 -1.220) 11.162 7.809 ( 0.168 -6.121 1.324) 6.264 10.394 ( 0.094 -0.229 0.238) 0.344 10.512 ( -0.077 0.648 0.319) 0.727 13.940 ( -0.300 0.103 -0.201) 0.375 13.994 ( -0.091 -0.590 0.310) 0.672 14.858 ( 6.465 -1.249 -1.885) 6.849 15.059 ( 5.402 -2.300 2.409) 6.346 16.725 ( 0.075 1.256 -0.766) 1.473 16.804 ( -0.837 1.511 -0.100) 1.731 22.284 ( -2.912 -1.070 -0.220) 3.110 22.323 ( -2.081 -0.728 0.104) 2.207 25.103 ( -0.255 -0.105 -0.190) 0.335 25.113 ( -0.493 -0.010 0.156) 0.517 25.768 ( 0.886 -0.878 0.001) 1.248 25.870 ( 0.146 0.216 0.250) 0.362 39.613 ( -1.925 -3.198 1.377) 3.979 39.756 ( -3.836 -2.832 -1.028) 4.877 42.522 ( 0.369 0.074 -0.186) 0.420 42.560 ( 0.019 0.095 0.288) 0.304 48.167 ( -7.328 8.243 1.296) 11.106 48.462 ( -8.571 1.187 -1.709) 8.820 49.070 ( -18.865 19.257 0.229) 26.959 49.123 ( -19.086 16.452 -0.053) 25.198 ======================= Grid point 168 (74/180) ======================= q-point: ( 0.36 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 19.869 7.202 -2.293) 21.258 2.854 ( 6.832 6.219 -9.189) 13.030 3.184 ( 12.852 11.086 -1.224) 17.016 3.212 ( 5.038 7.215 1.927) 9.008 3.506 ( 6.835 0.156 2.614) 7.319 3.650 ( 5.234 0.833 2.946) 6.063 3.930 ( 5.049 1.083 5.343) 7.431 4.105 ( -0.076 -5.427 4.535) 7.072 4.129 ( 13.155 -2.406 1.565) 13.464 4.286 ( 10.381 -1.252 -3.249) 10.950 4.369 ( 0.861 -0.090 -6.552) 6.609 4.446 ( 6.689 -6.250 0.642) 9.177 4.571 ( 1.227 -2.635 2.332) 3.726 4.878 ( -5.390 4.443 0.566) 7.008 5.237 ( 1.545 -3.471 1.360) 4.035 5.269 ( 2.989 -6.810 -5.864) 9.471 5.592 ( 0.034 2.478 6.260) 6.733 5.830 ( 5.656 2.663 -5.548) 8.358 6.040 ( 6.125 0.803 -1.040) 6.264 6.507 ( 0.297 -3.237 -1.786) 3.709 6.597 ( 5.538 2.185 3.004) 6.669 6.721 ( -5.900 1.831 0.994) 6.258 7.066 ( 5.386 -4.858 1.661) 7.441 7.200 ( 1.029 0.350 -0.371) 1.149 7.665 ( -0.725 -7.379 -1.891) 7.651 7.846 ( 1.475 -3.608 0.140) 3.900 10.400 ( 0.379 -0.084 0.382) 0.544 10.508 ( -0.353 0.088 -0.163) 0.399 13.936 ( -0.090 0.309 -0.054) 0.326 13.993 ( -0.097 -0.388 0.246) 0.469 14.968 ( 4.304 -0.272 -0.894) 4.404 15.140 ( 2.413 -1.617 1.406) 3.227 16.729 ( 0.354 1.374 -0.468) 1.494 16.787 ( -0.782 1.616 0.022) 1.795 22.233 ( -1.925 -0.866 0.253) 2.126 22.281 ( -1.946 -0.696 -0.381) 2.102 25.097 ( -0.232 -0.079 -0.151) 0.288 25.103 ( -0.450 -0.014 0.107) 0.463 25.789 ( 1.117 -0.738 -0.023) 1.339 25.868 ( -0.273 -0.013 0.133) 0.304 39.581 ( -1.199 -2.615 0.775) 2.979 39.681 ( -3.252 -2.205 -0.722) 3.995 42.529 ( 0.276 0.090 -0.030) 0.292 42.560 ( -0.041 0.059 0.110) 0.132 48.046 ( -4.225 8.270 0.479) 9.299 48.300 ( -7.033 3.371 -0.484) 7.814 48.705 ( -15.054 14.954 -0.231) 21.220 48.793 ( -13.669 10.881 0.240) 17.473 ======================= Grid point 169 (75/180) ======================= q-point: ( 0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 13.710 7.384 -4.471) 16.202 2.987 ( 7.462 5.102 -3.559) 9.715 3.218 ( -2.262 9.942 -1.208) 10.267 3.492 ( 13.353 -0.596 2.930) 13.684 3.634 ( 2.937 -0.854 2.555) 3.985 3.677 ( 0.889 4.433 4.181) 6.158 3.993 ( -8.745 -8.275 -0.263) 12.042 4.112 ( 10.087 -0.388 -1.548) 10.213 4.284 ( -2.034 2.266 -3.002) 4.276 4.337 ( 3.056 -0.249 2.723) 4.100 4.543 ( 11.220 -1.241 -5.849) 12.714 4.583 ( 5.675 -8.724 1.586) 10.528 4.593 ( 0.588 -1.840 5.137) 5.488 4.723 ( -7.931 -0.198 -2.873) 8.438 5.152 ( -6.125 -8.740 1.836) 10.829 5.393 ( 5.809 -3.426 -12.125) 13.874 5.574 ( -1.370 0.827 9.756) 9.886 5.920 ( 3.707 2.146 -3.198) 5.346 6.165 ( 4.136 0.257 5.828) 7.151 6.520 ( 0.931 -4.591 -2.629) 5.372 6.594 ( -2.735 1.382 1.534) 3.427 6.735 ( 3.693 4.208 2.239) 6.030 7.145 ( 1.987 -4.035 1.356) 4.698 7.219 ( 0.798 -0.388 -1.306) 1.579 7.690 ( 2.914 -1.658 -2.008) 3.908 7.849 ( -1.214 -2.778 -0.501) 3.072 10.408 ( 0.310 0.221 0.654) 0.757 10.499 ( -0.406 -0.535 -0.769) 1.021 13.937 ( 0.187 0.442 0.208) 0.523 13.990 ( -0.234 -0.195 -0.028) 0.306 15.037 ( 2.545 0.215 0.155) 2.559 15.168 ( 0.323 -1.102 0.285) 1.183 16.738 ( 0.581 1.481 -0.217) 1.606 16.772 ( -0.708 1.623 0.080) 1.772 22.205 ( -0.923 -0.611 0.530) 1.227 22.246 ( -1.205 -0.835 -0.609) 1.588 25.093 ( -0.163 -0.042 0.013) 0.169 25.096 ( -0.236 -0.047 -0.054) 0.246 25.812 ( 1.062 -0.572 0.020) 1.206 25.859 ( -0.627 -0.305 0.013) 0.697 39.565 ( -0.464 -2.224 0.826) 2.417 39.624 ( -2.007 -1.912 -0.883) 2.909 42.534 ( 0.196 0.129 0.122) 0.264 42.559 ( -0.092 0.017 -0.056) 0.108 48.000 ( -0.161 8.925 0.148) 8.928 48.167 ( -5.888 7.524 0.143) 9.556 48.479 ( -6.351 8.263 -0.360) 10.428 48.558 ( -8.920 7.631 0.108) 11.739 ======================= Grid point 170 (76/180) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 5.075 8.842 -3.702) 10.846 3.081 ( -4.470 11.367 -8.597) 14.937 3.173 ( 3.503 2.749 7.355) 8.598 3.535 ( -9.158 -5.123 2.999) 10.914 3.618 ( -4.856 -3.827 -0.387) 6.195 3.751 ( -0.587 3.353 0.214) 3.411 3.931 ( 8.686 -3.535 -0.223) 9.380 4.162 ( -2.704 4.616 -4.119) 6.752 4.336 ( 5.645 -3.313 0.722) 6.585 4.393 ( 1.166 0.280 2.631) 2.892 4.501 ( -8.112 -5.270 1.188) 9.746 4.572 ( -1.946 -1.529 2.333) 3.401 4.703 ( 3.668 -3.262 -5.047) 7.040 4.753 ( 5.524 -2.392 -2.417) 6.487 5.036 ( -3.652 -9.573 2.325) 10.506 5.465 ( 2.465 -1.929 -9.937) 10.418 5.564 ( -0.851 -2.255 6.096) 6.555 5.958 ( -0.561 1.070 0.639) 1.367 6.200 ( -0.614 2.400 7.060) 7.482 6.548 ( 2.383 -5.250 -3.858) 6.937 6.590 ( 1.704 0.770 4.873) 5.219 6.766 ( -1.030 4.228 0.922) 4.448 7.152 ( -1.146 -3.546 0.387) 3.747 7.224 ( -0.388 -0.545 -1.775) 1.897 7.749 ( 1.112 1.029 -0.712) 1.674 7.807 ( -1.232 -3.018 -1.792) 3.719 10.411 ( -0.181 0.439 0.799) 0.929 10.492 ( -0.115 -0.885 -1.134) 1.443 13.943 ( 0.395 0.454 0.565) 0.826 13.983 ( -0.331 -0.096 -0.387) 0.518 15.075 ( 1.042 0.138 1.203) 1.598 15.159 ( -0.986 -0.731 -0.775) 1.452 16.749 ( 0.093 1.243 0.090) 1.250 16.761 ( 0.047 1.860 -0.080) 1.863 22.193 ( -0.341 -0.365 0.481) 0.694 22.236 ( 0.327 -1.024 -0.541) 1.204 25.090 ( -0.127 0.024 0.039) 0.135 25.095 ( 0.120 -0.111 -0.080) 0.182 25.829 ( 0.173 -0.372 0.214) 0.463 25.847 ( -0.199 -0.574 -0.210) 0.643 39.553 ( -0.964 -1.769 0.619) 2.107 39.610 ( 0.866 -2.111 -0.728) 2.395 42.537 ( 0.131 0.166 0.263) 0.337 42.557 ( -0.112 -0.026 -0.196) 0.227 48.026 ( 0.911 9.591 0.678) 9.658 48.076 ( -1.004 9.419 -0.509) 9.486 48.423 ( -0.977 5.819 0.323) 5.909 48.456 ( 1.086 5.716 -0.446) 5.835 ======================= Grid point 171 (77/180) ======================= q-point: (-0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -13.041 8.594 1.241) 15.667 2.939 ( -5.901 11.645 -11.478) 17.383 3.207 ( -5.130 -0.791 1.227) 5.334 3.336 ( -3.962 -2.455 3.053) 5.572 3.518 ( -3.753 -0.061 -0.290) 3.764 3.636 ( -8.779 2.667 0.073) 9.176 4.086 ( 0.291 -1.308 2.359) 2.713 4.109 ( -4.186 0.609 -3.303) 5.366 4.342 ( -5.736 -4.985 0.913) 7.654 4.376 ( -3.293 2.538 1.629) 4.465 4.424 ( 6.051 -3.521 2.060) 7.298 4.540 ( -3.774 -2.536 0.074) 4.548 4.730 ( -1.619 -0.162 -4.110) 4.421 4.815 ( 4.497 -0.653 3.022) 5.458 5.054 ( 3.608 -11.217 -0.635) 11.800 5.483 ( -0.403 -1.515 -8.829) 8.968 5.521 ( -3.861 -2.939 3.554) 6.015 5.885 ( -6.099 -0.203 2.851) 6.735 6.202 ( 0.670 3.382 3.155) 4.673 6.586 ( 0.751 -0.124 -0.223) 0.793 6.630 ( -1.664 4.264 1.817) 4.925 6.735 ( 1.680 -2.595 3.150) 4.413 7.105 ( -3.347 -3.990 -0.216) 5.212 7.197 ( -1.811 -0.022 -1.599) 2.416 7.687 ( -4.477 -3.771 -2.032) 6.196 7.836 ( 1.706 -0.906 -0.781) 2.084 10.403 ( -0.545 0.197 0.566) 0.810 10.492 ( 0.116 -0.587 -0.941) 1.115 13.953 ( 0.454 0.345 0.880) 1.049 13.977 ( -0.204 -0.154 -0.627) 0.677 15.076 ( -1.360 -0.604 1.473) 2.093 15.132 ( -1.323 -0.383 -0.958) 1.678 16.740 ( -0.514 1.351 -0.105) 1.449 16.775 ( 0.887 1.576 0.088) 1.811 22.193 ( 0.434 -0.321 0.130) 0.555 22.257 ( 1.608 -1.050 -0.233) 1.935 25.089 ( 0.070 0.059 -0.068) 0.114 25.099 ( 0.306 -0.138 0.018) 0.336 25.815 ( -1.103 -0.627 0.076) 1.271 25.856 ( 0.615 -0.270 -0.065) 0.675 39.535 ( -0.638 -1.466 -0.092) 1.601 39.650 ( 2.842 -2.517 -0.066) 3.796 42.539 ( 0.034 0.149 0.344) 0.377 42.554 ( -0.094 -0.028 -0.258) 0.276 48.018 ( 0.686 8.262 0.626) 8.314 48.141 ( 4.679 8.322 -0.520) 9.561 48.480 ( 7.513 8.350 -0.303) 11.236 48.566 ( 8.501 7.420 0.256) 11.287 ======================= Grid point 172 (78/180) ======================= q-point: (-0.36 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -21.895 9.328 0.841) 23.814 2.705 ( -15.330 12.496 -11.233) 22.745 3.112 ( -4.034 2.320 -4.290) 6.329 3.260 ( -8.054 7.121 2.470) 11.030 3.444 ( -3.042 -4.388 -1.641) 5.586 3.504 ( -2.040 -1.692 5.160) 5.801 3.918 ( -14.164 0.524 -0.036) 14.173 3.971 ( -7.304 0.605 -0.361) 7.338 4.218 ( -7.724 -1.838 1.260) 8.039 4.332 ( -0.718 2.608 0.617) 2.775 4.387 ( -9.858 -2.138 0.727) 10.114 4.543 ( -0.127 2.167 5.571) 5.979 4.729 ( 4.328 -5.467 -0.557) 6.995 4.919 ( 3.483 2.898 2.902) 5.381 5.111 ( 0.880 -9.799 -0.980) 9.887 5.360 ( -8.390 -5.600 -8.259) 13.037 5.473 ( -2.588 0.669 2.345) 3.556 5.750 ( -6.577 -0.065 -0.412) 6.591 6.215 ( -0.518 1.922 -1.174) 2.310 6.491 ( -7.077 9.496 -0.833) 11.873 6.602 ( -1.144 0.093 4.793) 4.928 6.851 ( 6.486 -4.601 3.012) 8.503 7.021 ( -4.049 -4.237 -0.486) 5.880 7.160 ( -1.500 0.814 -0.632) 1.820 7.611 ( -1.636 -8.058 -3.103) 8.789 7.843 ( -1.079 -2.874 -0.041) 3.070 10.393 ( -0.440 -0.252 0.262) 0.571 10.493 ( 0.058 0.049 -0.504) 0.510 13.961 ( 0.212 0.096 0.642) 0.683 13.977 ( 0.354 -0.329 -0.246) 0.542 15.013 ( -4.665 -0.941 -0.538) 4.789 15.105 ( -1.589 -1.274 1.276) 2.404 16.732 ( -0.204 1.383 -0.286) 1.427 16.792 ( 0.741 1.177 0.040) 1.392 22.212 ( 1.297 -0.254 -0.260) 1.347 22.297 ( 2.258 -1.076 0.023) 2.502 25.093 ( 0.260 0.084 -0.148) 0.311 25.107 ( 0.378 -0.145 0.079) 0.413 25.790 ( -1.209 -0.793 -0.007) 1.446 25.866 ( 0.328 0.012 0.075) 0.337 39.528 ( -0.014 -1.187 -0.466) 1.275 39.721 ( 3.955 -3.161 0.252) 5.069 42.539 ( -0.154 -0.014 0.207) 0.259 42.553 ( -0.020 0.100 -0.080) 0.130 48.074 ( 4.448 7.036 1.380) 8.437 48.253 ( 6.627 5.629 -1.746) 8.868 48.728 ( 16.033 13.807 0.187) 21.159 48.792 ( 13.065 11.007 0.253) 17.086 ======================= Grid point 173 (79/180) ======================= q-point: (-0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -18.718 17.439 0.238) 25.584 2.348 ( -17.513 16.889 -7.563) 25.478 2.950 ( -12.451 4.923 -5.776) 14.582 3.002 ( -14.440 9.584 -4.788) 17.980 3.433 ( -3.940 -2.702 3.823) 6.119 3.473 ( -0.458 -6.297 1.548) 6.501 3.614 ( -12.273 2.578 0.271) 12.543 3.839 ( -5.185 2.340 3.756) 6.817 4.026 ( -10.477 -0.733 1.931) 10.679 4.164 ( -10.881 -0.323 -0.561) 10.900 4.299 ( -3.782 0.678 -1.174) 4.017 4.468 ( -5.284 2.749 7.811) 9.822 4.808 ( -1.624 -1.467 1.425) 2.611 4.900 ( -5.117 4.802 6.376) 9.481 5.059 ( -4.173 -3.813 -3.876) 6.854 5.242 ( -1.694 -7.828 -5.628) 9.789 5.389 ( -5.898 -2.457 0.222) 6.393 5.614 ( -6.573 1.919 -1.728) 7.062 6.135 ( -6.403 0.435 -6.850) 9.387 6.389 ( -3.413 6.426 0.747) 7.314 6.570 ( -1.501 1.037 5.537) 5.830 6.882 ( -4.082 -3.165 1.840) 5.483 7.033 ( 5.127 -2.743 -0.755) 5.863 7.133 ( -1.126 1.327 -0.626) 1.849 7.665 ( 8.013 -10.188 -2.015) 13.117 7.797 ( -3.076 -5.676 0.601) 6.484 10.387 ( -0.136 -0.561 0.094) 0.585 10.493 ( -0.029 0.567 -0.094) 0.576 13.964 ( 0.129 -0.269 0.172) 0.345 13.990 ( 0.779 -0.547 0.348) 1.013 14.887 ( -7.363 -0.914 -1.698) 7.612 15.057 ( -3.470 -3.586 2.804) 5.724 16.732 ( 0.158 1.400 -0.604) 1.533 16.804 ( 0.348 0.623 -0.122) 0.724 22.243 ( 1.609 -0.022 -0.780) 1.788 22.348 ( 2.570 -1.155 0.312) 2.835 25.099 ( 0.369 0.076 -0.199) 0.426 25.114 ( 0.322 -0.114 0.115) 0.360 25.767 ( -1.008 -0.894 -0.028) 1.347 25.869 ( 0.021 0.211 0.243) 0.323 39.532 ( 0.371 -0.691 -0.552) 0.959 39.809 ( 4.438 -4.117 0.326) 6.062 42.533 ( -0.342 -0.201 -0.074) 0.404 42.553 ( 0.021 0.250 0.256) 0.358 48.195 ( 6.812 6.508 2.419) 9.726 48.417 ( 9.314 4.035 -3.163) 10.631 49.092 ( 16.240 15.914 0.730) 22.749 49.130 ( 22.077 18.572 0.001) 28.850 ======================= Grid point 174 (80/180) ======================= q-point: (-0.21 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -8.585 30.310 -0.157) 31.503 1.998 ( -15.281 22.189 -0.106) 26.942 2.594 ( -19.282 9.117 1.686) 21.395 2.681 ( -16.844 7.831 -16.320) 24.726 3.216 ( -13.197 5.858 3.788) 14.927 3.383 ( -8.663 1.859 1.370) 8.966 3.536 ( 0.269 -3.699 -4.412) 5.764 3.767 ( -4.714 -2.769 4.775) 7.259 3.825 ( -6.525 0.409 6.685) 9.350 3.956 ( -8.672 0.114 -3.880) 9.501 4.168 ( -8.074 2.134 0.982) 8.409 4.367 ( -5.655 -1.238 6.707) 8.860 4.615 ( -11.560 13.757 4.070) 18.424 4.811 ( -6.564 -3.138 -0.714) 7.310 4.979 ( -3.511 1.567 -4.507) 5.924 5.193 ( -4.575 -5.118 -0.475) 6.881 5.230 ( -8.953 -4.663 0.747) 10.122 5.472 ( -7.187 0.066 -1.653) 7.375 5.994 ( -5.712 -1.003 -7.845) 9.756 6.303 ( -4.769 1.057 1.117) 5.010 6.573 ( 0.597 1.266 5.285) 5.468 6.783 ( -4.834 -3.387 -0.823) 5.960 7.079 ( -0.999 0.265 -1.216) 1.596 7.174 ( 5.434 -0.976 -0.037) 5.521 7.735 ( -1.968 -3.294 0.748) 3.909 7.940 ( 17.668 -10.039 -0.396) 20.325 10.387 ( 0.102 -0.527 0.111) 0.549 10.492 ( -0.012 0.658 0.181) 0.682 13.968 ( 0.193 -0.541 -0.008) 0.575 14.008 ( 0.896 -0.891 0.504) 1.361 14.711 ( -9.290 -0.898 -2.107) 9.568 14.959 ( -6.504 -6.794 3.541) 10.050 16.735 ( 0.121 1.262 -1.589) 2.033 16.806 ( -0.050 0.114 0.191) 0.228 22.270 ( 1.042 0.450 -1.201) 1.652 22.404 ( 2.800 -1.293 0.577) 3.138 25.107 ( 0.362 0.036 -0.213) 0.422 25.120 ( 0.207 -0.044 0.154) 0.262 25.751 ( -0.419 -0.887 -0.015) 0.981 25.868 ( -0.146 0.305 0.484) 0.590 39.541 ( 0.533 0.248 -0.123) 0.601 39.900 ( 4.286 -5.373 0.136) 6.874 42.525 ( -0.379 -0.247 -0.258) 0.521 42.553 ( -0.082 0.296 0.479) 0.569 48.348 ( 7.508 6.730 3.093) 10.547 48.619 ( 10.227 2.865 -3.839) 11.294 49.438 ( 16.959 19.643 0.764) 25.962 49.651 ( 28.431 23.807 -0.808) 37.091 ======================= Grid point 175 (81/180) ======================= q-point: (-0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -6.655 29.651 2.024) 30.456 1.727 ( -12.580 24.592 7.031) 28.504 2.234 ( -16.439 9.955 -6.387) 20.251 2.351 ( -7.030 20.963 -3.877) 22.448 2.958 ( -11.782 12.478 -0.531) 17.170 3.158 ( -12.682 5.181 1.730) 13.809 3.513 ( -3.244 -6.921 -7.171) 10.480 3.610 ( -5.634 1.087 0.694) 5.780 3.774 ( -5.330 0.970 2.877) 6.134 3.824 ( -2.269 2.775 1.302) 3.814 4.010 ( -6.258 4.448 1.829) 7.893 4.256 ( -4.156 -6.030 2.588) 7.768 4.395 ( -11.093 15.107 3.404) 19.049 4.665 ( -5.607 -2.407 -2.866) 6.741 4.860 ( -8.698 1.622 -3.279) 9.436 5.023 ( -9.682 1.310 2.459) 10.075 5.055 ( -9.045 -4.737 0.245) 10.213 5.308 ( -8.518 -4.630 -3.280) 10.235 5.899 ( -2.852 -1.081 -5.543) 6.327 6.222 ( -2.907 -3.277 4.068) 5.978 6.558 ( -3.077 -4.034 3.385) 6.099 6.708 ( -1.726 -0.469 -4.907) 5.222 7.070 ( 0.628 1.000 2.209) 2.505 7.274 ( 3.319 -2.660 1.946) 4.678 7.746 ( 3.385 -1.292 1.560) 3.945 8.358 ( 21.862 -6.623 -3.106) 23.053 10.391 ( 0.239 -0.159 0.354) 0.456 10.493 ( 0.028 0.306 0.265) 0.406 13.972 ( 0.234 -0.709 -0.356) 0.827 14.026 ( 0.745 -1.291 0.610) 1.611 14.514 ( -9.116 -0.803 -1.932) 9.353 14.786 ( -10.761 -9.303 3.261) 14.594 16.729 ( -0.539 0.533 -2.920) 3.017 16.806 ( -0.015 0.364 1.185) 1.239 22.283 ( 0.361 1.177 -0.643) 1.389 22.462 ( 2.647 -1.552 0.507) 3.110 25.113 ( 0.323 0.004 -0.161) 0.361 25.123 ( 0.122 0.015 0.167) 0.207 25.752 ( 0.461 -0.723 -0.018) 0.858 25.865 ( -0.233 0.279 0.741) 0.825 39.555 ( 0.954 1.552 1.437) 2.320 39.981 ( 3.406 -6.818 -0.484) 7.637 42.519 ( -0.163 -0.138 -0.316) 0.381 42.549 ( -0.368 0.291 0.511) 0.694 48.499 ( 6.576 7.333 3.393) 10.417 48.814 ( 8.511 1.814 -3.871) 9.524 49.774 ( 14.846 22.819 2.274) 27.318 50.300 ( 34.280 24.828 -6.158) 42.772 ======================= Grid point 176 (82/180) ======================= q-point: (-0.07 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -14.610 16.814 7.836) 23.613 1.510 ( -5.510 23.188 6.755) 24.773 1.907 ( -11.926 9.259 -4.244) 15.683 2.500 ( 15.839 33.199 3.566) 36.956 2.737 ( -8.863 23.112 0.966) 24.772 2.912 ( -9.311 7.437 -1.066) 11.965 3.362 ( -8.887 -4.204 -6.506) 11.789 3.592 ( -0.858 12.380 -2.179) 12.600 3.630 ( -5.213 1.258 3.459) 6.382 3.765 ( -2.981 7.085 -6.737) 10.221 3.984 ( 2.894 -3.746 4.415) 6.473 4.120 ( -11.091 1.986 -4.234) 12.036 4.255 ( 0.205 0.331 1.281) 1.339 4.585 ( -2.807 -3.917 0.931) 4.908 4.607 ( -14.192 1.262 2.659) 14.494 4.819 ( -9.865 1.904 -0.026) 10.047 4.908 ( -3.927 2.335 -3.022) 5.478 5.122 ( -8.513 -3.822 -5.064) 10.617 5.872 ( 0.685 0.143 -0.626) 0.939 6.197 ( 0.026 -7.356 5.940) 9.455 6.480 ( -3.815 -7.773 0.500) 8.673 6.685 ( -0.354 0.934 -7.318) 7.385 7.106 ( 1.985 1.412 7.136) 7.540 7.309 ( 0.271 -3.350 3.949) 5.186 7.861 ( 6.331 -0.058 3.787) 7.377 8.773 ( 16.558 -9.108 -10.344) 21.543 10.397 ( 0.324 0.306 0.789) 0.906 10.494 ( 0.063 -0.183 0.167) 0.256 13.978 ( 0.396 -0.704 -0.665) 1.046 14.035 ( -0.073 -1.689 0.607) 1.796 14.358 ( -5.171 -0.542 -0.933) 5.282 14.532 ( -13.038 -6.836 2.126) 14.874 16.716 ( -0.062 -0.042 -2.114) 2.116 16.807 ( -0.063 0.884 1.201) 1.493 22.295 ( 1.108 1.474 1.613) 2.450 22.507 ( 1.569 -2.031 -0.072) 2.568 25.120 ( 0.294 -0.013 -0.056) 0.300 25.125 ( 0.014 0.008 0.079) 0.080 25.769 ( 1.178 -0.514 -0.037) 1.286 25.857 ( -0.705 0.118 0.738) 1.027 39.589 ( 2.169 1.810 4.571) 5.373 40.034 ( 1.635 -8.103 -1.712) 8.441 42.520 ( 0.258 0.059 -0.144) 0.302 42.538 ( -0.663 0.304 0.245) 0.770 48.615 ( 4.042 7.877 3.617) 9.564 48.950 ( 4.760 0.986 -3.805) 6.174 50.029 ( 8.990 24.669 4.783) 26.688 50.981 ( 29.135 16.210 -18.398) 38.080 ======================= Grid point 177 (83/180) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -2.472 13.063 4.556) 14.054 1.735 ( 2.806 2.979 -6.850) 7.980 2.217 ( 2.358 24.520 12.459) 27.604 2.832 ( 1.475 7.809 0.486) 7.962 2.839 ( -2.665 5.332 -0.153) 5.963 3.193 ( -3.101 1.075 -6.546) 7.322 3.358 ( -0.907 -0.342 -2.368) 2.559 3.576 ( -0.097 -3.366 -6.400) 7.232 3.785 ( -0.464 0.891 2.556) 2.746 3.897 ( -3.074 3.998 -2.173) 5.492 4.028 ( 2.479 -0.343 -2.115) 3.277 4.237 ( -0.382 0.815 2.368) 2.533 4.301 ( 11.661 23.315 -2.634) 26.201 4.471 ( -3.566 3.549 1.009) 5.131 4.616 ( -3.820 18.030 7.664) 19.960 4.667 ( -4.558 -0.033 2.584) 5.239 4.969 ( 2.489 4.911 -3.237) 6.387 4.994 ( 0.137 0.102 -3.101) 3.106 5.882 ( 3.837 -3.907 3.205) 6.345 6.037 ( -0.100 -7.612 9.001) 11.789 6.344 ( -2.517 2.462 -7.812) 8.569 6.685 ( 0.357 -0.556 -13.084) 13.101 7.177 ( 1.753 0.692 8.790) 8.989 7.250 ( -0.987 -2.859 10.176) 10.616 7.878 ( 0.952 -5.321 1.866) 5.718 8.557 ( -2.484 -20.089 -12.278) 23.674 10.427 ( 0.278 1.477 1.468) 2.101 10.491 ( 0.128 -0.162 0.208) 0.293 13.973 ( 0.576 -0.854 -0.296) 1.072 13.988 ( -0.790 -1.358 -0.008) 1.571 14.294 ( -1.383 0.128 0.856) 1.632 14.335 ( 0.746 -1.125 -0.242) 1.371 16.735 ( 1.280 0.725 0.626) 1.599 16.814 ( -0.507 -0.025 -0.262) 0.572 22.353 ( 1.005 1.357 1.729) 2.417 22.469 ( -0.425 -2.251 -0.897) 2.460 25.122 ( -0.157 0.036 0.033) 0.164 25.126 ( 0.148 -0.058 -0.049) 0.166 25.786 ( 0.591 -0.043 0.705) 0.921 25.835 ( -0.785 -0.306 -0.156) 0.857 39.657 ( 0.687 1.185 3.270) 3.545 39.876 ( -0.403 -6.720 -2.101) 7.052 42.527 ( -0.405 0.351 0.122) 0.550 42.536 ( 0.362 0.060 -0.085) 0.377 48.825 ( 0.252 6.780 2.477) 7.223 49.007 ( -0.120 0.261 -1.832) 1.855 50.631 ( -0.022 21.301 5.096) 21.903 51.345 ( -0.573 -1.247 -13.055) 13.127 ======================= Grid point 178 (84/180) ======================= q-point: ( 0.07 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 15.300 13.035 2.416) 20.245 1.952 ( 17.430 0.506 -5.701) 18.345 2.335 ( 7.244 23.986 13.667) 28.541 2.840 ( 1.124 9.856 0.913) 9.962 2.918 ( 6.564 11.701 -1.333) 13.483 3.141 ( 0.406 -1.297 -9.644) 9.739 3.383 ( 4.034 -1.888 -1.352) 4.655 3.598 ( 1.433 -5.010 -5.675) 7.705 3.710 ( -4.966 10.572 0.079) 11.681 3.842 ( -0.687 5.021 -0.428) 5.086 4.022 ( -3.188 -1.142 1.041) 3.542 4.259 ( 2.435 -2.330 2.412) 4.145 4.408 ( -3.840 7.789 7.415) 11.419 4.487 ( 7.246 2.737 -3.444) 8.477 4.711 ( 9.919 13.449 4.105) 17.208 4.747 ( 12.694 6.350 -3.618) 14.647 5.048 ( 4.962 0.770 -3.123) 5.913 5.069 ( 6.685 7.322 0.451) 9.925 5.991 ( 5.799 -4.620 4.598) 8.725 6.066 ( 2.355 -8.481 8.378) 12.152 6.300 ( -0.800 3.255 -9.053) 9.654 6.685 ( 0.784 -0.796 -12.149) 12.200 7.199 ( -0.868 1.577 7.504) 7.717 7.234 ( -1.120 -3.286 9.470) 10.086 7.834 ( -5.110 -7.719 3.469) 9.886 8.361 ( -14.086 -16.163 -12.844) 24.993 10.427 ( -0.399 1.382 1.318) 1.951 10.499 ( 0.555 -0.128 0.378) 0.684 13.968 ( -0.832 -0.582 -0.443) 1.108 13.983 ( 0.058 -1.431 0.005) 1.432 14.334 ( 5.435 0.793 -0.331) 5.503 14.437 ( 7.962 -2.326 0.737) 8.328 16.767 ( 1.299 0.383 0.624) 1.491 16.801 ( -0.437 -0.059 -0.354) 0.566 22.370 ( 0.369 0.258 2.121) 2.169 22.443 ( -1.899 -1.839 -1.354) 2.970 25.117 ( -0.264 0.142 -0.060) 0.305 25.128 ( 0.028 -0.128 0.057) 0.143 25.780 ( -1.095 0.068 0.612) 1.257 25.832 ( 0.561 -0.167 -0.071) 0.590 39.661 ( -0.599 0.116 3.465) 3.518 39.853 ( -1.591 -5.997 -2.349) 6.634 42.519 ( -0.290 0.531 -0.141) 0.621 42.546 ( 0.468 -0.154 0.174) 0.522 48.787 ( -4.081 6.716 2.658) 8.296 48.959 ( -4.302 0.323 -2.011) 4.760 50.528 ( -10.215 20.697 4.550) 23.525 51.116 ( -19.124 3.908 -11.175) 22.492 ======================= Grid point 179 (85/180) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 20.917 13.965 1.734) 25.210 2.351 ( 17.308 4.391 -6.344) 18.950 2.510 ( 9.973 21.670 7.851) 25.113 2.866 ( 3.493 17.340 5.701) 18.584 3.059 ( 6.804 6.138 -8.732) 12.658 3.262 ( 10.955 -1.987 -2.067) 11.324 3.480 ( 0.701 3.840 -2.497) 4.634 3.554 ( 2.361 3.511 1.755) 4.580 3.758 ( 7.239 -1.991 -5.557) 9.340 3.871 ( 3.222 2.403 -0.171) 4.023 3.979 ( 0.209 0.521 3.044) 3.096 4.250 ( -4.109 2.219 9.189) 10.308 4.356 ( 0.572 -3.873 0.331) 3.929 4.723 ( 13.121 1.333 -4.540) 13.948 4.922 ( 9.250 7.778 3.757) 12.656 5.032 ( 13.601 2.156 -2.653) 14.024 5.143 ( 3.795 0.619 -0.482) 3.875 5.251 ( 10.536 7.189 0.320) 12.759 6.079 ( 1.884 -1.668 -0.493) 2.564 6.163 ( 5.799 -9.431 5.987) 12.587 6.316 ( 3.712 2.999 -3.743) 6.064 6.693 ( 0.955 -1.853 -10.334) 10.542 7.151 ( -4.247 -1.220 5.741) 7.244 7.223 ( -0.909 -0.717 5.088) 5.218 7.699 ( -7.527 -10.312 4.280) 13.465 8.026 ( -15.339 -9.249 -9.335) 20.199 10.417 ( -0.616 1.294 0.837) 1.660 10.510 ( 0.434 -0.255 0.635) 0.810 13.954 ( -0.472 -0.205 -0.494) 0.714 13.980 ( -0.192 -1.270 0.074) 1.286 14.492 ( 9.202 0.442 -0.890) 9.255 14.634 ( 10.333 -3.302 1.291) 10.925 16.769 ( -0.629 1.098 -1.211) 1.751 16.812 ( 0.882 -0.744 0.921) 1.477 22.368 ( -0.872 -0.612 1.846) 2.131 22.392 ( -2.736 -1.171 -1.527) 3.345 25.112 ( -0.210 0.177 -0.093) 0.290 25.126 ( -0.174 -0.145 0.109) 0.252 25.759 ( -0.744 0.618 0.236) 0.996 25.847 ( 0.667 -0.563 0.317) 0.929 39.640 ( -1.587 -0.513 2.813) 3.271 39.809 ( -2.417 -5.030 -2.029) 5.938 42.517 ( 0.084 0.556 -0.251) 0.616 42.554 ( 0.265 -0.257 0.293) 0.472 48.668 ( -7.405 6.780 2.466) 10.339 48.834 ( -7.371 0.451 -1.969) 7.643 50.238 ( -17.567 19.210 2.741) 26.175 50.609 ( -27.507 10.881 -6.431) 30.272 ======================= Grid point 180 (86/180) ======================= q-point: ( 0.21 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 8.987 25.198 1.764) 26.811 2.560 ( 11.687 19.693 -3.562) 23.175 2.827 ( 14.147 3.436 -1.117) 14.601 3.072 ( 15.256 6.182 6.268) 17.614 3.199 ( 8.089 7.193 -7.756) 13.316 3.400 ( 0.131 2.897 3.307) 4.398 3.555 ( 11.328 1.960 -1.410) 11.582 3.713 ( 9.373 0.091 1.057) 9.433 3.917 ( 7.614 -4.341 -5.408) 10.299 3.945 ( 3.301 1.258 4.405) 5.646 4.064 ( 7.071 0.545 3.058) 7.723 4.179 ( -1.936 3.044 3.980) 5.372 4.401 ( 3.410 -6.462 -2.128) 7.610 4.950 ( 8.571 -0.532 -3.015) 9.101 5.050 ( 2.154 3.466 2.918) 5.017 5.198 ( 1.599 1.622 3.172) 3.905 5.314 ( 13.912 -1.580 -0.631) 14.016 5.472 ( 9.928 2.155 -0.286) 10.163 6.076 ( -1.217 1.140 -8.535) 8.696 6.300 ( 7.266 -4.102 3.475) 9.038 6.417 ( 4.016 -1.250 2.186) 4.740 6.713 ( 2.467 -4.095 -7.117) 8.573 7.035 ( -7.052 -1.897 2.961) 7.880 7.208 ( -0.720 -0.302 0.835) 1.144 7.560 ( -5.561 -10.937 3.100) 12.655 7.789 ( -5.981 -2.724 -2.975) 7.214 10.406 ( -0.418 1.186 0.483) 1.347 10.515 ( -0.021 -0.544 0.588) 0.801 13.947 ( -0.191 0.051 -0.385) 0.433 13.978 ( -0.053 -1.018 0.210) 1.040 14.685 ( 9.111 0.480 -0.973) 9.175 14.841 ( 9.143 -3.436 1.495) 9.881 16.757 ( -0.330 1.332 -1.042) 1.723 16.823 ( 0.117 -0.477 0.391) 0.627 22.327 ( -2.993 -0.815 -0.022) 3.102 22.344 ( -1.765 -0.813 -0.016) 1.943 25.108 ( -0.217 0.134 -0.117) 0.280 25.121 ( -0.366 -0.121 0.121) 0.404 25.754 ( 0.199 0.777 0.116) 0.810 25.858 ( 0.399 -0.798 0.343) 0.956 39.606 ( -1.887 -0.723 1.900) 2.773 39.751 ( -2.919 -4.130 -1.476) 5.269 42.521 ( 0.302 0.483 -0.250) 0.622 42.558 ( 0.113 -0.252 0.302) 0.410 48.501 ( -8.624 6.890 1.906) 11.202 48.663 ( -8.618 0.668 -1.621) 8.794 49.837 ( -20.739 16.714 1.032) 26.655 50.022 ( -28.084 13.985 -2.570) 31.479 ======================= Grid point 181 (87/180) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 5.799 29.109 0.031) 29.681 2.838 ( 11.797 11.147 -1.388) 16.290 3.065 ( 10.714 2.506 -4.084) 11.737 3.315 ( 6.998 6.549 4.557) 10.612 3.394 ( 6.188 0.738 0.997) 6.311 3.495 ( 12.136 4.608 -3.872) 13.547 3.796 ( 11.698 -1.247 3.702) 12.333 3.897 ( 6.467 1.384 4.249) 7.861 3.993 ( 1.935 -4.664 -1.177) 5.185 4.039 ( 4.189 0.343 4.402) 6.087 4.197 ( 6.364 0.554 -2.795) 6.973 4.252 ( 7.740 -1.518 0.871) 7.935 4.486 ( 4.685 -3.736 -3.826) 7.109 4.995 ( -4.770 -8.524 -2.180) 10.009 5.110 ( 5.220 4.258 -1.356) 6.871 5.206 ( -1.180 0.154 4.940) 5.081 5.562 ( 7.779 -0.275 4.716) 9.102 5.645 ( 7.669 -4.178 -0.465) 8.746 6.043 ( -0.288 3.796 -10.657) 11.316 6.432 ( -0.391 -3.222 -1.617) 3.626 6.478 ( 8.268 -0.911 1.520) 8.456 6.785 ( 1.896 -8.457 0.340) 8.674 6.909 ( -2.553 2.146 1.781) 3.781 7.198 ( -0.102 -0.719 -0.787) 1.071 7.508 ( 0.537 -4.944 1.634) 5.234 7.752 ( 1.284 -1.981 -0.443) 2.402 10.402 ( -0.028 0.973 0.273) 1.011 10.511 ( -0.469 -0.845 0.326) 1.020 13.944 ( -0.057 0.292 -0.261) 0.396 13.979 ( 0.143 -0.780 0.324) 0.857 14.854 ( 7.124 0.802 -0.716) 7.205 15.002 ( 6.206 -2.931 1.277) 6.981 16.754 ( 0.121 1.443 -0.616) 1.573 16.820 ( -0.371 0.024 -0.027) 0.373 22.267 ( -2.663 -0.417 -0.127) 2.699 22.304 ( -2.069 -1.035 -0.016) 2.314 25.103 ( -0.271 0.081 -0.128) 0.311 25.112 ( -0.473 -0.087 0.108) 0.493 25.765 ( 0.824 0.654 0.056) 1.054 25.863 ( 0.026 -0.875 0.241) 0.908 39.570 ( -1.649 -0.810 1.163) 2.174 39.688 ( -3.038 -3.355 -0.992) 4.633 42.527 ( 0.331 0.402 -0.179) 0.550 42.559 ( 0.024 -0.213 0.233) 0.317 48.333 ( -7.316 7.000 1.202) 10.196 48.490 ( -7.641 1.135 -1.051) 7.796 49.408 ( -20.319 13.444 0.193) 24.365 49.468 ( -25.031 13.599 -0.738) 28.497 ======================= Grid point 182 (88/180) ======================= q-point: ( 0.36 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 11.152 19.437 0.162) 22.409 3.006 ( 5.639 7.635 -4.707) 10.595 3.253 ( 6.587 0.131 2.612) 7.087 3.437 ( 4.736 7.945 0.866) 9.290 3.537 ( 8.340 1.783 0.371) 8.536 3.678 ( 4.056 0.533 1.558) 4.377 3.942 ( -4.034 -8.429 0.601) 9.364 3.967 ( 4.370 1.274 2.135) 5.028 4.091 ( 11.661 -0.089 2.668) 11.963 4.200 ( 9.207 -2.322 1.642) 9.637 4.344 ( 6.723 -1.131 -5.716) 8.897 4.395 ( 5.918 0.376 1.120) 6.034 4.560 ( 2.164 -0.614 -1.748) 2.849 4.841 ( -8.825 -10.028 -4.229) 14.012 5.133 ( -3.663 -0.803 3.893) 5.405 5.235 ( 4.809 0.288 -5.436) 7.263 5.622 ( -0.776 -0.001 9.128) 9.161 5.795 ( 5.873 -6.358 -0.144) 8.657 6.073 ( 4.060 3.712 -7.205) 9.065 6.413 ( -0.305 -4.255 -1.474) 4.513 6.661 ( 8.208 1.591 -0.437) 8.372 6.717 ( -5.000 -2.670 2.279) 6.109 6.981 ( 5.206 -1.724 2.880) 6.194 7.200 ( 0.306 -1.088 -1.045) 1.539 7.571 ( 4.988 0.070 -0.143) 4.991 7.797 ( 2.279 -1.742 -0.401) 2.896 10.405 ( 0.350 0.680 0.190) 0.788 10.498 ( -0.772 -1.054 -0.045) 1.308 13.945 ( 0.106 0.522 -0.097) 0.542 13.983 ( 0.136 -0.564 0.278) 0.643 14.975 ( 4.682 0.998 -0.269) 4.794 15.099 ( 3.169 -2.188 0.768) 3.927 16.759 ( 0.405 1.464 -0.286) 1.545 16.810 ( -0.493 0.512 -0.159) 0.728 22.221 ( -1.777 -0.267 0.071) 1.798 22.262 ( -1.959 -1.060 -0.179) 2.234 25.097 ( -0.250 0.032 -0.113) 0.277 25.102 ( -0.442 -0.058 0.083) 0.453 25.785 ( 1.023 0.375 0.017) 1.090 25.860 ( -0.384 -0.839 0.133) 0.932 39.542 ( -1.059 -0.943 0.721) 1.591 39.627 ( -2.690 -2.682 -0.688) 3.860 42.533 ( 0.269 0.339 -0.072) 0.439 42.559 ( -0.047 -0.175 0.122) 0.218 48.216 ( -3.794 7.285 0.607) 8.236 48.360 ( -4.685 2.189 -0.447) 5.191 48.998 ( -19.742 11.716 -0.297) 22.959 49.019 ( -17.390 9.638 0.040) 19.882 ======================= Grid point 183 (89/180) ======================= q-point: ( 0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 12.231 10.639 0.436) 16.216 3.094 ( 3.931 5.392 -4.317) 7.947 3.334 ( 1.005 -0.180 1.924) 2.178 3.501 ( -0.229 2.749 3.090) 4.142 3.625 ( -2.933 -4.049 6.701) 8.361 3.755 ( 7.314 0.638 -5.547) 9.201 3.844 ( -3.760 -0.930 0.446) 3.899 4.097 ( 7.792 -0.819 -2.645) 8.269 4.271 ( 3.224 -2.670 -0.978) 4.299 4.334 ( 2.526 -1.655 1.778) 3.504 4.424 ( 1.101 -2.738 4.543) 5.417 4.533 ( 5.932 0.733 -6.084) 8.529 4.572 ( 1.352 -3.194 0.067) 3.469 4.687 ( -3.288 -4.008 -5.049) 7.236 5.040 ( -5.361 -0.202 4.025) 6.707 5.327 ( 4.395 -2.672 -10.185) 11.410 5.596 ( -2.032 0.767 10.170) 10.400 5.884 ( 2.783 -6.023 1.800) 6.875 6.175 ( 5.658 1.807 -1.431) 6.109 6.419 ( 0.753 -3.114 -0.509) 3.244 6.623 ( -3.935 0.654 2.197) 4.554 6.793 ( 4.067 0.640 -0.905) 4.215 7.066 ( 2.500 -2.514 2.599) 4.396 7.209 ( 0.646 -1.282 -1.700) 2.225 7.688 ( 5.749 1.963 -0.810) 6.129 7.821 ( -0.204 -0.377 -0.594) 0.733 10.415 ( 0.435 0.430 0.254) 0.662 10.481 ( -0.789 -1.163 -0.487) 1.487 13.948 ( 0.252 0.640 0.139) 0.702 13.984 ( -0.046 -0.354 0.068) 0.364 15.049 ( 2.534 0.915 0.272) 2.707 15.140 ( 0.877 -1.493 0.158) 1.739 16.769 ( 0.491 1.383 -0.060) 1.469 16.800 ( -0.452 0.921 -0.180) 1.042 22.195 ( -0.755 -0.255 0.261) 0.839 22.227 ( -1.291 -0.982 -0.318) 1.653 25.093 ( -0.131 -0.012 -0.055) 0.142 25.095 ( -0.280 -0.039 0.024) 0.284 25.806 ( 0.984 0.029 0.020) 0.984 25.848 ( -0.704 -0.706 0.038) 0.998 39.528 ( -0.374 -1.141 0.611) 1.348 39.580 ( -1.733 -2.136 -0.645) 2.826 42.538 ( 0.200 0.289 0.054) 0.356 42.558 ( -0.102 -0.138 -0.007) 0.172 48.186 ( 0.807 7.983 0.302) 8.029 48.298 ( -1.676 4.590 -0.024) 4.886 48.664 ( -11.831 8.271 -0.198) 14.437 48.713 ( -11.817 6.530 -0.087) 13.502 ======================= Grid point 184 (90/180) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 4.677 8.966 0.082) 10.113 3.188 ( 5.148 -0.238 0.993) 5.249 3.284 ( -6.674 4.893 -0.726) 8.307 3.352 ( -9.613 -8.571 0.104) 12.879 3.610 ( -0.809 1.131 -0.023) 1.391 3.788 ( -2.160 3.323 4.698) 6.147 3.900 ( 6.280 -2.493 -5.251) 8.557 4.208 ( -1.224 -0.755 -5.043) 5.244 4.265 ( 2.196 -3.254 -0.873) 4.021 4.344 ( -4.920 -7.014 0.390) 8.577 4.372 ( -0.122 -0.624 3.846) 3.899 4.556 ( 0.034 -1.701 -1.019) 1.983 4.685 ( 4.252 1.827 -0.555) 4.661 4.738 ( 7.438 -2.567 -4.440) 9.034 4.921 ( -6.462 1.485 3.520) 7.507 5.388 ( 2.228 -5.051 -11.210) 12.496 5.566 ( -1.797 1.496 9.338) 9.626 5.902 ( -1.711 -5.828 4.670) 7.662 6.282 ( 4.121 3.613 2.012) 5.838 6.430 ( 0.519 -2.158 -2.845) 3.609 6.580 ( -0.148 -1.744 4.859) 5.165 6.826 ( -0.523 -0.025 -1.981) 2.049 7.084 ( -0.995 -1.905 1.743) 2.767 7.214 ( -0.311 -1.143 -2.019) 2.341 7.780 ( -3.670 1.392 -0.875) 4.022 7.788 ( 3.586 1.365 -0.700) 3.900 10.419 ( -0.182 0.348 0.360) 0.533 10.469 ( -0.140 -1.225 -0.832) 1.488 13.954 ( 0.299 0.582 0.420) 0.778 13.981 ( -0.254 -0.179 -0.203) 0.372 15.082 ( 0.619 0.579 0.893) 1.231 15.141 ( -0.589 -0.965 -0.479) 1.228 16.776 ( 0.013 1.230 0.127) 1.236 16.794 ( 0.047 1.147 -0.268) 1.179 22.187 ( -0.198 -0.187 0.307) 0.411 22.214 ( 0.211 -1.003 -0.342) 1.081 25.090 ( -0.084 0.021 0.012) 0.087 25.093 ( 0.080 -0.083 -0.044) 0.124 25.822 ( 0.145 -0.221 0.157) 0.307 25.835 ( -0.180 -0.546 -0.136) 0.591 39.521 ( -0.531 -1.071 0.476) 1.287 39.564 ( 0.488 -2.062 -0.541) 2.187 42.542 ( 0.125 0.244 0.186) 0.332 42.555 ( -0.115 -0.102 -0.137) 0.206 48.224 ( 0.354 8.490 0.610) 8.519 48.264 ( -0.509 7.657 -0.320) 7.680 48.545 ( -0.502 5.234 0.165) 5.260 48.571 ( 0.676 4.702 -0.437) 4.770 ======================= Grid point 185 (91/180) ======================= q-point: (-0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -11.884 8.586 4.577) 15.359 3.132 ( -1.845 2.211 -0.853) 3.003 3.175 ( -8.154 3.130 -8.014) 11.853 3.318 ( 4.051 -1.202 2.637) 4.981 3.539 ( -5.429 2.030 -1.994) 6.129 3.693 ( -7.605 3.089 -0.463) 8.221 4.036 ( 6.170 -6.128 4.452) 9.769 4.118 ( -5.738 1.035 -2.988) 6.551 4.211 ( -7.089 -2.070 0.108) 7.386 4.278 ( -1.957 -4.729 0.155) 5.120 4.424 ( 2.175 -4.516 -0.374) 5.026 4.540 ( 0.058 0.131 -0.949) 0.960 4.779 ( -3.311 4.606 -1.667) 5.912 4.796 ( 2.210 -1.113 3.427) 4.227 4.872 ( 5.437 -4.375 -2.409) 7.382 5.381 ( -2.447 -6.332 -8.346) 10.758 5.540 ( -1.404 2.120 5.385) 5.955 5.820 ( -6.198 -4.603 5.515) 9.487 6.326 ( 0.169 7.435 -0.683) 7.469 6.470 ( 3.522 -6.645 -0.074) 7.521 6.611 ( 2.079 -3.761 5.485) 6.968 6.776 ( -3.924 0.441 -2.588) 4.722 7.034 ( -3.591 -1.252 1.585) 4.120 7.191 ( -1.505 -1.061 -1.889) 2.638 7.671 ( -6.465 2.217 -1.174) 6.935 7.830 ( 0.390 -0.079 -0.427) 0.583 10.408 ( -0.722 0.361 0.126) 0.817 10.473 ( 0.479 -1.154 -0.653) 1.410 13.961 ( 0.248 0.368 0.658) 0.794 13.974 ( -0.312 -0.111 -0.396) 0.516 15.072 ( -1.895 0.167 1.034) 2.165 15.119 ( -1.422 -0.780 -0.557) 1.715 16.770 ( -0.422 1.347 -0.002) 1.412 16.801 ( 0.439 0.793 -0.201) 0.928 22.189 ( 0.541 -0.017 0.076) 0.546 22.233 ( 1.505 -1.170 -0.127) 1.910 25.091 ( 0.118 0.077 -0.059) 0.153 25.097 ( 0.283 -0.120 0.023) 0.308 25.807 ( -1.037 -0.033 0.046) 1.039 25.846 ( 0.688 -0.657 -0.017) 0.951 39.512 ( -0.192 -0.537 0.099) 0.579 39.594 ( 2.195 -2.641 -0.175) 3.439 42.543 ( -0.044 0.192 0.225) 0.299 42.553 ( -0.030 -0.056 -0.167) 0.179 48.192 ( -0.678 7.549 0.490) 7.595 48.285 ( 1.332 5.087 -0.339) 5.270 48.665 ( 12.247 8.297 -0.164) 14.794 48.719 ( 11.677 6.435 0.027) 13.333 ======================= Grid point 186 (92/180) ======================= q-point: (-0.36 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -12.386 18.271 3.695) 22.381 2.951 ( -11.766 9.431 -6.648) 16.480 3.152 ( 1.124 0.777 0.118) 1.371 3.356 ( -2.196 0.255 -6.422) 6.792 3.412 ( -4.754 0.572 5.328) 7.164 3.498 ( -10.671 3.670 -2.979) 11.671 3.949 ( -9.754 3.924 -0.087) 10.514 4.039 ( -6.801 3.963 0.206) 7.874 4.154 ( -0.780 -5.458 1.438) 5.698 4.183 ( -5.194 -8.722 4.045) 10.928 4.365 ( -6.299 -1.803 1.466) 6.714 4.634 ( 3.147 2.893 1.315) 4.472 4.646 ( -2.688 -3.550 1.175) 4.606 4.900 ( 4.328 -2.178 -4.340) 6.504 4.958 ( 2.957 -5.162 1.001) 6.033 5.271 ( -7.179 -3.885 -6.147) 10.218 5.491 ( -4.662 1.371 3.322) 5.886 5.698 ( -4.939 -3.388 1.735) 6.235 6.301 ( -2.707 5.234 -3.391) 6.799 6.525 ( 0.179 -6.375 0.421) 6.391 6.624 ( -3.820 0.867 2.344) 4.565 6.732 ( 4.175 -6.091 1.592) 7.555 6.956 ( -3.799 -0.071 2.369) 4.477 7.159 ( -1.264 -1.183 -2.074) 2.702 7.531 ( -6.211 1.557 -1.047) 6.488 7.808 ( -2.096 -1.358 -0.156) 2.502 10.394 ( -0.526 0.525 -0.035) 0.744 10.483 ( 0.475 -1.029 -0.362) 1.190 13.963 ( -0.122 0.099 0.185) 0.243 13.971 ( 0.138 -0.239 0.146) 0.312 15.004 ( -4.684 0.132 0.188) 4.690 15.076 ( -2.957 -1.450 0.441) 3.323 16.762 ( -0.239 1.367 -0.167) 1.398 16.808 ( 0.198 0.265 -0.264) 0.424 22.210 ( 1.463 0.180 -0.159) 1.482 22.271 ( 2.160 -1.350 0.032) 2.547 25.095 ( 0.286 0.130 -0.110) 0.333 25.104 ( 0.388 -0.133 0.068) 0.416 25.785 ( -1.096 0.325 0.012) 1.144 25.857 ( 0.409 -0.813 0.084) 0.914 39.516 ( 0.523 0.122 0.001) 0.537 39.649 ( 3.067 -3.482 -0.068) 4.640 42.540 ( -0.255 0.159 0.039) 0.303 42.554 ( 0.064 -0.027 0.037) 0.079 48.224 ( 3.648 6.622 0.887) 7.612 48.344 ( 4.789 3.022 -0.892) 5.733 49.007 ( 20.103 11.239 -0.169) 23.032 49.021 ( 17.216 9.909 0.138) 19.864 ======================= Grid point 187 (93/180) ======================= q-point: (-0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -7.193 29.363 2.599) 30.343 2.691 ( -12.259 14.564 -3.374) 19.333 3.056 ( -12.134 5.181 -5.267) 14.207 3.224 ( -13.657 8.473 -4.633) 16.726 3.302 ( 0.828 -8.756 2.171) 9.059 3.400 ( -0.175 0.593 0.233) 0.661 3.726 ( -10.919 8.855 0.723) 14.078 3.909 ( -6.543 3.214 3.235) 7.976 3.985 ( -9.855 -2.351 1.215) 10.204 4.115 ( -6.672 -4.267 -2.426) 8.283 4.234 ( -6.143 -3.890 3.286) 7.980 4.503 ( -7.157 1.305 7.745) 10.626 4.746 ( 1.216 -5.238 3.718) 6.538 4.946 ( -0.298 -4.852 -4.910) 6.909 4.999 ( 1.212 -2.165 1.724) 3.021 5.112 ( -5.745 -1.212 -6.333) 8.636 5.358 ( -7.545 0.080 0.129) 7.546 5.611 ( -4.747 -1.677 -0.439) 5.053 6.190 ( -7.407 3.015 -5.252) 9.568 6.422 ( -8.154 -4.896 -1.605) 9.645 6.598 ( 1.026 2.184 3.992) 4.665 6.853 ( -0.606 -0.976 0.062) 1.151 6.915 ( 4.873 -6.803 3.964) 9.260 7.131 ( -1.275 -1.435 -3.144) 3.684 7.459 ( 0.375 -2.884 0.843) 3.028 7.769 ( -0.556 -1.041 -0.110) 1.185 10.388 ( -0.079 0.744 -0.013) 0.749 10.491 ( 0.281 -0.823 -0.093) 0.875 13.960 ( -0.124 -0.119 -0.148) 0.227 13.977 ( 0.364 -0.599 0.501) 0.862 14.879 ( -7.367 0.258 -0.461) 7.386 14.990 ( -5.589 -2.775 1.312) 6.376 16.760 ( 0.009 1.208 -0.567) 1.335 16.807 ( -0.169 -0.200 -0.207) 0.334 22.246 ( 1.929 0.415 -0.454) 2.025 22.320 ( 2.466 -1.469 0.191) 2.877 25.102 ( 0.355 0.155 -0.137) 0.411 25.112 ( 0.372 -0.114 0.095) 0.400 25.764 ( -0.907 0.639 0.018) 1.110 25.862 ( 0.087 -0.901 0.226) 0.933 39.533 ( 1.111 0.846 0.131) 1.402 39.716 ( 3.346 -4.443 -0.143) 5.564 42.533 ( -0.352 0.204 -0.119) 0.424 42.555 ( 0.032 -0.069 0.216) 0.229 48.336 ( 6.782 6.327 1.352) 9.374 48.480 ( 8.152 1.941 -1.377) 8.493 49.409 ( 20.166 13.452 0.169) 24.242 49.483 ( 25.556 13.290 -0.381) 28.808 ======================= Grid point 188 (94/180) ======================= q-point: (-0.21 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -11.165 25.871 0.819) 28.189 2.465 ( -10.509 21.261 1.968) 23.798 2.744 ( -15.563 5.637 -8.570) 18.639 2.921 ( -12.366 11.206 -1.260) 16.735 3.345 ( 0.712 -5.542 2.796) 6.248 3.398 ( 0.033 3.190 -4.318) 5.369 3.520 ( -8.958 15.447 1.957) 17.964 3.768 ( -6.731 -1.906 4.494) 8.315 3.793 ( -8.296 1.038 0.034) 8.361 3.950 ( -7.625 -0.508 -2.579) 8.066 4.102 ( -6.285 -5.566 -0.694) 8.424 4.354 ( -8.411 0.196 10.218) 13.236 4.674 ( -7.583 -8.682 8.421) 14.276 4.857 ( -5.993 6.231 -6.047) 10.550 5.012 ( -0.688 0.813 -1.834) 2.121 5.062 ( -1.060 -6.526 -3.973) 7.713 5.201 ( -7.253 1.362 -0.254) 7.385 5.469 ( -9.137 -0.900 -0.413) 9.190 6.021 ( -7.677 2.515 -5.631) 9.847 6.253 ( -7.610 -6.477 1.148) 10.059 6.609 ( -1.760 2.381 4.321) 5.239 6.773 ( -3.334 2.831 -6.699) 8.001 7.025 ( 2.083 -5.965 1.387) 6.469 7.142 ( 3.510 -2.471 1.840) 4.670 7.530 ( 4.761 -7.975 2.115) 9.526 7.856 ( 10.535 -2.832 -1.258) 10.982 10.391 ( 0.339 0.968 0.162) 1.039 10.494 ( 0.064 -0.568 0.158) 0.593 13.959 ( -0.004 -0.291 -0.196) 0.350 13.986 ( 0.439 -1.069 0.434) 1.235 14.704 ( -9.312 0.338 -0.759) 9.349 14.845 ( -8.560 -4.185 1.790) 9.695 16.757 ( -0.410 0.856 -1.676) 1.926 16.804 ( -0.002 -0.312 0.610) 0.685 22.284 ( 1.640 0.838 -0.654) 1.955 22.372 ( 2.593 -1.621 0.299) 3.073 25.109 ( 0.328 0.147 -0.128) 0.382 25.119 ( 0.268 -0.077 0.108) 0.299 25.750 ( -0.339 0.818 0.035) 0.886 25.862 ( -0.117 -0.935 0.422) 1.032 39.561 ( 1.499 1.589 0.524) 2.246 39.783 ( 3.065 -5.424 -0.383) 6.242 42.526 ( -0.304 0.295 -0.201) 0.469 42.555 ( -0.099 -0.131 0.310) 0.351 48.493 ( 7.949 6.496 1.656) 10.398 48.663 ( 9.253 1.178 -1.561) 9.457 49.834 ( 20.456 16.874 0.815) 26.530 50.050 ( 29.055 13.158 -1.818) 31.947 ======================= Grid point 189 (95/180) ======================= q-point: (-0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -18.801 15.889 3.659) 24.886 2.176 ( -16.524 14.888 -2.806) 22.418 2.424 ( -13.565 12.669 -3.237) 18.842 2.819 ( 0.249 14.386 1.055) 14.427 3.247 ( -11.261 -2.118 1.405) 11.544 3.330 ( -4.521 3.298 1.660) 5.837 3.430 ( -1.371 23.851 -6.073) 24.650 3.670 ( -3.197 2.619 -3.739) 5.573 3.708 ( 2.112 -0.705 3.654) 4.279 3.832 ( -3.075 -1.718 1.191) 3.718 4.009 ( -1.908 -4.378 -4.279) 6.412 4.172 ( -9.591 0.580 9.399) 13.441 4.498 ( -9.381 -8.917 6.129) 14.321 4.744 ( -4.103 8.643 -3.810) 10.298 4.914 ( -8.904 1.906 -3.336) 9.698 4.991 ( -5.511 -1.520 -2.161) 6.112 5.093 ( -3.719 5.448 2.634) 7.102 5.244 ( -11.840 -1.516 -0.818) 11.965 5.886 ( -4.481 0.977 -4.011) 6.093 6.123 ( -5.104 -7.309 4.888) 10.166 6.524 ( -5.458 1.975 -0.133) 5.806 6.725 ( -1.173 1.384 -10.661) 10.815 7.062 ( 2.232 -1.718 3.583) 4.557 7.217 ( 2.348 -3.583 6.685) 7.940 7.649 ( 6.898 -5.064 1.171) 8.637 8.164 ( 17.158 -11.115 -4.125) 20.855 10.401 ( 0.606 1.196 0.497) 1.430 10.494 ( -0.105 -0.339 0.353) 0.501 13.959 ( 0.112 -0.431 -0.363) 0.574 13.995 ( 0.342 -1.495 0.346) 1.572 14.509 ( -9.053 0.349 -0.670) 9.084 14.646 ( -10.541 -4.569 1.690) 11.612 16.739 ( -0.983 0.720 -1.963) 2.311 16.811 ( 0.438 -0.193 1.001) 1.110 22.311 ( 1.075 1.483 -0.336) 1.862 22.424 ( 2.272 -1.919 0.157) 2.979 25.115 ( 0.287 0.114 -0.089) 0.321 25.123 ( 0.141 -0.051 0.094) 0.177 25.751 ( 0.456 0.771 0.060) 0.898 25.859 ( -0.255 -0.923 0.571) 1.115 39.595 ( 1.683 2.134 1.265) 2.998 39.838 ( 2.260 -6.294 -0.815) 6.737 42.522 ( -0.055 0.370 -0.203) 0.426 42.551 ( -0.328 -0.128 0.302) 0.464 48.653 ( 7.044 6.761 1.870) 9.941 48.841 ( 7.744 0.630 -1.569) 7.927 50.231 ( 17.181 19.493 2.219) 26.079 50.652 ( 28.541 9.204 -5.160) 30.429 ======================= Grid point 190 (96/180) ======================= q-point: (-0.07 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -17.482 12.361 5.412) 22.084 1.852 ( -12.295 7.088 -7.353) 15.984 2.233 ( -5.064 22.404 6.947) 23.996 2.823 ( -0.302 8.357 -0.917) 8.413 2.993 ( -11.320 2.544 2.053) 11.782 3.260 ( -2.993 0.304 -1.348) 3.297 3.386 ( -1.405 10.324 -4.167) 11.221 3.613 ( -2.296 -2.382 -7.194) 7.918 3.776 ( 0.679 6.424 0.770) 6.506 3.878 ( 5.822 2.960 4.513) 7.939 4.025 ( -2.784 -1.510 0.817) 3.270 4.039 ( 5.991 11.473 -2.204) 13.129 4.329 ( -6.446 -5.550 1.021) 8.567 4.660 ( -9.582 2.529 2.735) 10.280 4.688 ( -6.169 14.866 0.943) 16.123 4.849 ( -9.363 2.241 1.125) 9.693 4.987 ( -4.784 5.206 -2.685) 7.563 5.055 ( -5.315 -0.643 -1.414) 5.537 5.838 ( 0.039 -1.720 -0.425) 1.772 6.053 ( -2.345 -7.480 7.973) 11.181 6.419 ( -4.223 2.130 -4.740) 6.696 6.697 ( -0.429 -0.152 -12.664) 12.672 7.121 ( 2.721 -0.105 7.485) 7.965 7.250 ( 0.261 -3.162 9.068) 9.606 7.796 ( 6.306 -3.983 0.746) 7.496 8.470 ( 11.251 -17.888 -8.444) 22.757 10.416 ( 0.650 1.398 0.995) 1.835 10.492 ( -0.145 -0.202 0.372) 0.447 13.963 ( 0.343 -0.555 -0.489) 0.815 13.998 ( -0.119 -1.679 0.260) 1.703 14.354 ( -5.279 0.207 -0.099) 5.284 14.438 ( -8.902 -2.881 0.945) 9.405 16.723 ( -0.168 0.957 -0.779) 1.245 16.818 ( 0.122 -0.166 0.491) 0.533 22.331 ( 0.952 1.867 0.639) 2.191 22.461 ( 1.181 -2.232 -0.286) 2.542 25.120 ( 0.239 0.047 -0.031) 0.246 25.125 ( 0.009 -0.040 0.031) 0.051 25.767 ( 0.978 0.459 0.218) 1.103 25.851 ( -0.606 -0.793 0.420) 1.083 39.630 ( 1.509 2.054 2.320) 3.446 39.872 ( 1.013 -6.819 -1.449) 7.044 42.524 ( 0.293 0.333 -0.087) 0.452 42.542 ( -0.545 0.019 0.153) 0.566 48.774 ( 4.292 6.858 2.145) 8.370 48.966 ( 4.260 0.334 -1.636) 4.576 50.521 ( 10.006 20.974 4.009) 23.581 51.155 ( 18.990 2.063 -9.999) 21.560 ======================= Grid point 191 (97/180) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -1.389 10.043 2.212) 10.377 1.715 ( 0.278 -4.597 -1.641) 4.889 2.687 ( 2.065 16.128 3.056) 16.544 2.853 ( 0.482 -2.221 -0.810) 2.412 3.035 ( 0.449 12.338 -0.755) 12.369 3.252 ( -1.296 -0.682 0.854) 1.696 3.331 ( -2.499 1.430 -6.040) 6.691 3.515 ( -4.484 -7.996 -6.425) 11.195 3.634 ( 1.866 -6.761 3.264) 7.736 3.710 ( 2.941 -7.358 2.749) 8.388 4.108 ( 1.443 3.899 1.008) 4.278 4.184 ( 0.620 -3.236 0.844) 3.402 4.533 ( -5.201 2.599 1.223) 5.941 4.577 ( -4.050 -0.962 -0.064) 4.163 4.835 ( 3.635 8.009 -4.441) 9.853 4.884 ( 1.186 2.215 -3.003) 3.916 5.088 ( 1.344 10.564 2.028) 10.841 5.141 ( 1.421 7.210 0.413) 7.360 5.872 ( 2.061 3.352 7.016) 8.044 5.932 ( 1.834 -2.332 8.220) 8.739 6.434 ( -2.244 6.003 -8.252) 10.449 6.607 ( -0.554 -7.850 -12.052) 14.393 7.163 ( 1.085 -0.449 11.836) 11.894 7.195 ( 0.237 -2.357 10.471) 10.735 7.858 ( -0.732 5.712 -5.422) 7.910 8.129 ( -1.642 -18.552 -9.507) 20.911 10.460 ( 0.227 1.449 1.195) 1.892 10.483 ( 0.160 -0.693 0.686) 0.988 13.961 ( 0.133 -0.211 -0.197) 0.318 13.966 ( -0.293 -0.695 -0.146) 0.768 14.301 ( -0.455 0.469 0.348) 0.741 14.314 ( 0.190 -0.833 -0.003) 0.854 16.763 ( 0.605 1.710 0.545) 1.894 16.798 ( -0.074 -1.418 -0.030) 1.421 22.386 ( 0.322 1.741 0.493) 1.838 22.425 ( -0.126 -1.924 -0.349) 1.959 25.123 ( -0.055 0.057 0.005) 0.079 25.124 ( 0.053 -0.066 -0.024) 0.087 25.796 ( 0.162 0.912 0.495) 1.050 25.819 ( -0.249 -1.074 0.032) 1.103 39.694 ( 0.112 2.360 0.940) 2.543 39.761 ( -0.107 -4.201 -0.675) 4.256 42.533 ( -0.153 0.206 0.052) 0.262 42.536 ( 0.118 -0.047 -0.013) 0.128 48.941 ( 0.122 4.073 1.000) 4.195 48.997 ( -0.061 -1.419 -0.358) 1.465 51.012 ( -0.052 14.582 1.099) 14.624 51.247 ( -0.148 -7.866 -4.644) 9.136 ======================= Grid point 192 (98/180) ======================= q-point: ( 0.07 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 15.228 10.737 0.871) 18.653 1.892 ( 15.958 -6.020 -1.564) 17.127 2.795 ( 7.383 16.058 5.253) 18.438 2.929 ( 6.474 1.018 -1.245) 6.671 3.084 ( 3.871 6.411 -0.723) 7.524 3.231 ( -0.600 5.104 -2.678) 5.795 3.339 ( 4.477 -2.158 -4.284) 6.562 3.436 ( -2.183 -10.426 -4.258) 11.472 3.686 ( 3.230 -0.172 2.051) 3.830 3.797 ( 4.374 -8.135 1.642) 9.381 4.095 ( -3.038 4.939 3.776) 6.920 4.187 ( -1.193 -4.064 4.076) 5.878 4.544 ( 6.814 2.672 -4.678) 8.687 4.585 ( 4.307 0.108 -3.973) 5.861 4.878 ( -0.670 11.357 0.241) 11.379 4.941 ( 5.341 2.318 -1.345) 5.975 5.095 ( 2.620 7.090 0.859) 7.607 5.226 ( 4.180 1.072 1.551) 4.586 5.937 ( 3.386 2.032 8.848) 9.690 5.999 ( 3.615 -1.281 7.287) 8.235 6.404 ( 0.269 6.988 -9.155) 11.521 6.598 ( 0.511 -8.701 -12.036) 14.860 7.169 ( -1.749 -0.720 12.014) 12.162 7.202 ( -0.426 -1.788 8.742) 8.933 7.771 ( -6.637 4.316 -5.101) 9.418 8.005 ( -8.612 -15.950 -9.678) 20.548 10.460 ( -0.265 1.604 1.131) 1.981 10.488 ( 0.227 -0.927 0.801) 1.246 13.958 ( -0.393 -0.250 -0.272) 0.539 13.961 ( -0.081 -0.572 -0.176) 0.604 14.357 ( 5.798 1.390 0.030) 5.963 14.392 ( 6.750 -1.896 0.308) 7.018 16.779 ( 0.786 0.751 0.671) 1.278 16.795 ( -0.184 -0.616 -0.175) 0.667 22.385 ( -0.567 0.987 0.648) 1.309 22.410 ( -1.292 -1.357 -0.520) 1.945 25.121 ( -0.152 0.184 -0.026) 0.240 25.124 ( -0.042 -0.174 0.014) 0.180 25.793 ( -0.441 1.045 0.433) 1.213 25.818 ( 0.135 -1.101 0.084) 1.112 39.685 ( -0.993 2.064 0.981) 2.492 39.748 ( -1.099 -3.929 -0.727) 4.145 42.530 ( -0.086 0.534 -0.041) 0.542 42.540 ( 0.219 -0.384 0.068) 0.447 48.900 ( -4.099 3.862 1.076) 5.733 48.952 ( -4.214 -1.212 -0.457) 4.408 50.892 ( -11.379 13.526 0.985) 17.703 51.094 ( -13.832 -5.544 -4.163) 15.472 ======================= Grid point 193 (99/180) ======================= q-point: ( 0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 22.384 10.874 -0.228) 24.886 2.304 ( 22.432 -6.285 -2.342) 23.413 2.953 ( 6.091 18.286 7.020) 20.513 3.078 ( 6.764 4.743 -0.255) 8.265 3.149 ( 3.077 -0.622 -5.499) 6.332 3.267 ( 3.654 -3.335 1.824) 5.273 3.455 ( 5.288 -1.715 -3.098) 6.364 3.493 ( 10.124 -2.309 -4.000) 11.127 3.771 ( 4.689 2.656 1.298) 5.544 3.884 ( 4.116 -5.062 1.356) 6.664 4.048 ( -0.591 5.663 2.915) 6.397 4.171 ( 0.331 -6.510 4.519) 7.932 4.593 ( -4.578 16.897 0.226) 17.507 4.739 ( 9.781 -0.241 -5.994) 11.474 4.952 ( 8.654 1.905 -2.803) 9.294 5.044 ( 4.479 -2.877 0.777) 5.380 5.189 ( 5.391 4.637 1.127) 7.199 5.316 ( 4.987 -3.691 2.908) 6.852 6.034 ( 5.252 -0.560 6.627) 8.474 6.076 ( 3.327 -1.871 3.866) 5.432 6.425 ( 1.998 6.629 -6.430) 9.449 6.594 ( -0.124 -8.283 -10.124) 13.081 7.117 ( -4.047 0.980 7.369) 8.465 7.187 ( -1.654 -3.385 4.951) 6.222 7.615 ( -6.946 4.392 -2.627) 8.628 7.807 ( -8.535 -11.326 -6.020) 15.407 10.453 ( -0.495 1.979 0.865) 2.215 10.492 ( -0.016 -1.482 0.807) 1.687 13.952 ( -0.189 0.057 -0.304) 0.363 13.959 ( -0.070 -0.687 -0.107) 0.698 14.519 ( 9.267 1.921 -0.096) 9.465 14.569 ( 9.758 -2.760 0.505) 10.153 16.786 ( -0.131 0.619 -0.404) 0.751 16.798 ( 0.498 -0.561 0.516) 0.911 22.363 ( -1.567 0.180 0.593) 1.685 22.373 ( -2.103 -0.691 -0.618) 2.298 25.117 ( -0.200 0.262 -0.036) 0.331 25.122 ( -0.176 -0.232 0.035) 0.293 25.785 ( -0.264 1.690 0.255) 1.729 25.823 ( 0.264 -1.636 0.247) 1.675 39.657 ( -1.757 1.899 0.844) 2.721 39.716 ( -1.875 -3.657 -0.634) 4.159 42.530 ( 0.100 0.712 -0.081) 0.723 42.545 ( 0.195 -0.589 0.107) 0.629 48.780 ( -7.285 3.783 1.002) 8.269 48.830 ( -7.287 -1.060 -0.501) 7.381 50.565 ( -19.648 11.343 0.581) 22.694 50.703 ( -22.756 -1.424 -2.736) 22.964 ======================= Grid point 194 (100/180) ======================= q-point: ( 0.21 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 19.519 12.339 -0.417) 23.096 2.750 ( 19.485 -3.991 -3.802) 20.249 3.045 ( 2.930 15.001 4.921) 16.057 3.178 ( 4.948 3.189 1.510) 6.077 3.256 ( 6.245 -0.127 -2.656) 6.788 3.355 ( 4.675 -7.208 4.315) 9.614 3.610 ( 8.375 3.679 -0.106) 9.148 3.706 ( 9.293 -3.708 -4.045) 10.792 3.882 ( 6.404 5.005 -0.075) 8.128 3.988 ( 6.205 -1.584 2.130) 6.749 4.101 ( 5.612 3.814 0.839) 6.836 4.231 ( 5.285 -8.035 0.586) 9.635 4.463 ( -7.001 20.631 1.726) 21.855 4.830 ( -1.665 -11.062 -2.964) 11.573 5.099 ( 5.596 2.173 -2.621) 6.550 5.178 ( 6.053 -4.488 -2.382) 7.903 5.316 ( 7.948 4.339 3.339) 9.652 5.439 ( 6.007 -5.129 4.381) 9.032 6.120 ( 2.806 2.755 -2.294) 4.553 6.197 ( 8.122 -4.557 2.471) 9.636 6.443 ( -0.460 2.841 -2.736) 3.971 6.573 ( -0.871 -9.032 -3.816) 9.844 7.038 ( -3.046 4.491 0.952) 5.509 7.154 ( -1.320 -4.662 0.078) 4.846 7.522 ( -1.580 5.737 0.926) 6.023 7.682 ( -2.887 -7.446 -1.216) 8.078 10.443 ( -0.511 2.160 0.572) 2.292 10.488 ( -0.353 -1.905 0.607) 2.031 13.950 ( 0.031 0.253 -0.221) 0.338 13.959 ( 0.114 -0.664 0.030) 0.675 14.715 ( 9.256 2.171 -0.108) 9.508 14.771 ( 9.302 -3.054 0.581) 9.808 16.783 ( -0.055 1.172 -0.460) 1.260 16.806 ( 0.237 -0.999 0.192) 1.044 22.320 ( -2.534 0.087 0.000) 2.536 22.328 ( -2.158 -0.641 -0.142) 2.256 25.112 ( -0.274 0.247 -0.045) 0.372 25.117 ( -0.324 -0.217 0.038) 0.392 25.785 ( 0.217 1.985 0.173) 2.004 25.829 ( 0.280 -1.922 0.250) 1.958 39.618 ( -2.043 1.701 0.631) 2.732 39.672 ( -2.334 -3.296 -0.487) 4.068 42.534 ( 0.218 0.712 -0.085) 0.750 42.548 ( 0.159 -0.614 0.114) 0.644 48.614 ( -8.474 3.814 0.797) 9.327 48.663 ( -8.449 -0.947 -0.432) 8.513 50.112 ( -23.507 8.764 0.165) 25.088 50.188 ( -26.076 1.896 -1.356) 26.180 ======================= Grid point 195 (101/180) ======================= q-point: ( 0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( 7.992 18.755 0.186) 20.388 3.056 ( 9.311 0.829 -0.701) 9.374 3.105 ( 3.700 9.138 2.474) 10.165 3.336 ( 9.285 -4.008 0.039) 10.113 3.390 ( 7.626 -0.328 1.342) 7.750 3.454 ( 3.358 -7.864 5.387) 10.106 3.786 ( 8.866 1.172 0.060) 8.943 3.841 ( 5.625 -3.201 -3.773) 7.491 4.048 ( 9.121 7.040 -0.563) 11.536 4.136 ( 7.228 0.609 2.461) 7.660 4.256 ( 7.808 2.777 0.333) 8.294 4.325 ( -4.652 12.847 -1.044) 13.703 4.377 ( 7.260 -4.015 -2.337) 8.619 4.713 ( -7.992 -16.976 -2.414) 18.918 5.189 ( 3.027 2.909 -4.574) 6.209 5.222 ( -0.329 0.301 1.109) 1.195 5.504 ( 8.233 -2.288 2.784) 8.987 5.545 ( 3.417 -4.606 6.638) 8.772 6.165 ( 1.852 7.546 -7.821) 11.024 6.338 ( 1.966 -7.510 -4.972) 9.218 6.454 ( 5.751 1.923 3.139) 6.828 6.579 ( 2.032 -9.202 3.289) 9.981 7.011 ( 0.201 6.847 -1.031) 6.927 7.141 ( -0.091 -4.689 -1.374) 4.887 7.546 ( 3.433 6.104 1.430) 7.147 7.678 ( 2.113 -5.283 0.315) 5.698 10.434 ( -0.359 2.007 0.302) 2.061 10.479 ( -0.576 -2.013 0.317) 2.117 13.952 ( 0.180 0.454 -0.107) 0.500 13.964 ( 0.279 -0.650 0.146) 0.722 14.887 ( 7.149 2.163 -0.034) 7.470 14.940 ( 6.820 -2.818 0.522) 7.397 16.784 ( 0.157 1.348 -0.339) 1.399 16.809 ( 0.037 -0.944 -0.088) 0.949 22.267 ( -2.428 0.404 -0.082) 2.463 22.282 ( -2.228 -0.949 -0.064) 2.423 25.106 ( -0.343 0.181 -0.051) 0.392 25.109 ( -0.420 -0.162 0.033) 0.452 25.793 ( 0.501 1.808 0.110) 1.879 25.834 ( 0.156 -1.829 0.177) 1.844 39.577 ( -1.914 1.350 0.425) 2.381 39.622 ( -2.402 -2.784 -0.353) 3.694 42.538 ( 0.226 0.620 -0.063) 0.663 42.551 ( 0.106 -0.538 0.095) 0.556 48.449 ( -7.143 3.877 0.543) 8.145 48.497 ( -7.195 -0.765 -0.269) 7.240 49.622 ( -23.353 6.227 -0.055) 24.169 49.652 ( -25.140 3.629 -0.556) 25.407 ======================= Grid point 196 (102/180) ======================= q-point: ( 0.36 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 2.398 21.887 2.728) 22.186 3.153 ( 3.539 5.949 0.322) 6.930 3.218 ( 4.653 -3.136 3.198) 6.459 3.443 ( -3.702 -18.737 5.422) 19.853 3.529 ( 6.609 1.980 -0.333) 6.907 3.556 ( 8.640 -0.304 -1.697) 8.811 3.951 ( 6.444 3.666 -5.473) 9.215 3.985 ( 7.185 1.089 -1.344) 7.390 4.188 ( -2.383 8.866 2.736) 9.579 4.228 ( 7.705 4.684 1.670) 9.171 4.303 ( 4.894 -2.859 0.563) 5.696 4.420 ( 4.475 -0.998 -1.449) 4.808 4.495 ( 0.642 -5.560 -2.642) 6.189 4.569 ( 0.143 -10.173 -5.651) 11.638 5.179 ( -2.583 3.768 1.272) 4.742 5.239 ( 1.436 -0.950 -4.580) 4.893 5.594 ( 1.166 -1.157 8.177) 8.340 5.643 ( 5.023 -5.937 3.201) 8.410 6.192 ( 2.011 7.067 -6.309) 9.685 6.332 ( 0.176 -4.966 -3.065) 5.838 6.615 ( 5.713 -1.379 3.363) 6.772 6.657 ( 5.010 -3.704 1.279) 6.360 7.031 ( 1.624 5.269 0.143) 5.515 7.141 ( 0.281 -4.390 -1.254) 4.574 7.646 ( 5.580 5.318 0.391) 7.718 7.745 ( 3.697 -3.574 0.071) 5.143 10.429 ( -0.128 1.549 0.088) 1.556 10.466 ( -0.648 -1.785 0.019) 1.899 13.957 ( 0.265 0.619 0.006) 0.673 13.970 ( 0.287 -0.624 0.170) 0.708 15.007 ( 4.471 1.884 0.086) 4.852 15.051 ( 3.914 -2.258 0.364) 4.533 16.788 ( 0.295 1.239 -0.205) 1.290 16.809 ( -0.021 -0.596 -0.185) 0.625 22.223 ( -1.784 0.473 -0.010) 1.846 22.239 ( -1.879 -0.986 -0.079) 2.124 25.098 ( -0.322 0.104 -0.048) 0.341 25.101 ( -0.396 -0.100 0.023) 0.410 25.804 ( 0.514 1.306 0.057) 1.405 25.835 ( -0.080 -1.449 0.099) 1.454 39.542 ( -1.434 0.854 0.275) 1.692 39.575 ( -2.043 -2.155 -0.261) 2.981 42.543 ( 0.171 0.499 -0.025) 0.528 42.553 ( 0.037 -0.428 0.059) 0.434 48.337 ( -3.442 3.964 0.333) 5.261 48.382 ( -3.643 -0.358 -0.077) 3.661 49.169 ( -20.485 4.004 -0.105) 20.873 49.169 ( -20.838 4.086 -0.261) 21.236 ======================= Grid point 197 (103/180) ======================= q-point: ( 0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( 3.094 13.872 4.448) 14.893 3.210 ( 1.590 4.869 -2.195) 5.573 3.295 ( 2.200 -2.822 2.419) 4.319 3.323 ( -7.205 -14.959 6.557) 17.852 3.638 ( 4.164 3.640 -1.779) 5.810 3.714 ( 6.385 -3.354 -4.589) 8.548 3.982 ( -2.396 10.624 -1.623) 11.011 4.100 ( 5.166 1.104 -2.847) 6.000 4.197 ( 0.629 -3.457 -1.799) 3.947 4.272 ( -5.106 -9.433 -2.401) 10.992 4.371 ( 3.115 0.725 4.658) 5.650 4.429 ( 2.715 -4.695 3.805) 6.625 4.593 ( 6.961 3.630 -4.971) 9.292 4.652 ( 4.575 -1.477 -4.225) 6.400 5.119 ( -3.215 6.362 1.004) 7.198 5.253 ( 0.433 -5.153 -5.544) 7.581 5.616 ( 0.323 2.400 7.620) 7.996 5.725 ( 2.549 -7.453 4.252) 8.952 6.249 ( 3.874 5.137 -1.988) 6.735 6.360 ( 2.565 -4.184 -0.811) 4.974 6.653 ( -1.210 3.355 1.876) 4.030 6.748 ( 2.297 -4.467 -0.619) 5.061 7.073 ( 2.060 3.011 0.771) 3.729 7.154 ( 1.001 -3.754 -1.271) 4.088 7.755 ( 4.512 3.465 -0.199) 5.692 7.808 ( 1.958 -1.388 -0.256) 2.413 10.429 ( 0.021 0.933 -0.039) 0.934 10.453 ( -0.575 -1.328 -0.262) 1.470 13.962 ( 0.245 0.649 0.118) 0.704 13.975 ( 0.139 -0.519 0.110) 0.548 15.074 ( 2.141 1.413 0.243) 2.576 15.107 ( 1.537 -1.598 0.164) 2.223 16.795 ( 0.281 0.993 -0.092) 1.036 16.808 ( -0.052 -0.182 -0.189) 0.267 22.196 ( -0.872 0.305 0.067) 0.926 22.207 ( -1.123 -0.785 -0.108) 1.375 25.093 ( -0.185 0.032 -0.033) 0.190 25.094 ( -0.248 -0.046 0.006) 0.252 25.814 ( 0.425 0.645 0.029) 0.773 25.831 ( -0.282 -0.891 0.038) 0.936 39.520 ( -0.715 0.311 0.218) 0.810 39.540 ( -1.239 -1.522 -0.242) 1.977 42.545 ( 0.110 0.375 0.024) 0.391 42.553 ( -0.021 -0.311 0.012) 0.312 48.316 ( 1.391 4.101 0.241) 4.337 48.354 ( 0.787 0.560 0.087) 0.970 48.795 ( -14.375 3.689 -0.186) 14.842 48.810 ( -14.060 2.206 -0.164) 14.233 ======================= Grid point 198 (104/180) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 2.964 4.217 5.648) 7.646 3.181 ( -4.785 -6.148 3.241) 8.438 3.212 ( -1.646 3.840 -2.832) 5.048 3.303 ( -1.989 -2.873 1.439) 3.779 3.686 ( 0.099 5.063 -2.916) 5.844 3.795 ( 0.807 -4.980 -3.632) 6.216 3.938 ( -0.627 8.771 0.479) 8.807 4.136 ( -1.830 -8.035 -1.939) 8.466 4.199 ( 2.640 -1.439 -4.821) 5.682 4.220 ( -0.385 -3.249 -3.879) 5.075 4.390 ( -1.736 2.120 5.052) 5.747 4.464 ( -0.233 -5.013 4.049) 6.448 4.723 ( 5.358 1.765 -2.205) 6.057 4.738 ( 4.231 0.718 -2.430) 4.931 5.047 ( -3.814 8.786 -0.703) 9.604 5.243 ( -1.000 -8.764 -5.739) 10.524 5.622 ( -0.436 4.399 6.371) 7.754 5.753 ( -0.449 -7.448 5.361) 9.188 6.334 ( 3.856 3.463 1.975) 5.547 6.423 ( 3.161 -3.312 -0.212) 4.583 6.599 ( -3.370 5.924 0.791) 6.862 6.749 ( -1.637 -6.527 -2.106) 7.051 7.098 ( -0.093 2.723 0.641) 2.799 7.166 ( -0.061 -3.170 -1.213) 3.394 7.813 ( -0.986 1.356 -0.317) 1.706 7.819 ( 1.006 0.838 -0.392) 1.366 10.428 ( -0.183 0.564 -0.080) 0.598 10.444 ( -0.157 -1.021 -0.475) 1.138 13.966 ( 0.122 0.515 0.233) 0.578 13.975 ( -0.085 -0.335 0.017) 0.346 15.099 ( 0.208 0.921 0.445) 1.044 15.120 ( -0.183 -1.044 -0.047) 1.061 16.798 ( 0.002 0.808 -0.014) 0.808 16.807 ( 0.003 0.047 -0.210) 0.215 22.186 ( -0.056 0.209 0.101) 0.239 22.196 ( 0.081 -0.672 -0.120) 0.687 25.091 ( -0.029 0.022 -0.006) 0.037 25.091 ( 0.028 -0.042 -0.021) 0.055 25.820 ( 0.044 0.061 0.066) 0.100 25.825 ( -0.084 -0.350 -0.039) 0.362 39.511 ( -0.165 0.156 0.171) 0.284 39.527 ( 0.152 -1.325 -0.212) 1.350 42.547 ( 0.053 0.260 0.078) 0.276 42.552 ( -0.047 -0.200 -0.040) 0.210 48.359 ( -0.011 3.821 0.395) 3.842 48.375 ( -0.230 2.400 0.042) 2.412 48.629 ( -0.057 2.412 -0.102) 2.415 48.639 ( 0.316 1.477 -0.330) 1.546 ======================= Grid point 199 (105/180) ======================= q-point: (-0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -3.818 8.046 4.155) 9.827 3.165 ( -1.951 3.063 -0.681) 3.695 3.201 ( -0.737 -4.543 1.116) 4.736 3.237 ( -0.684 -4.166 1.328) 4.426 3.620 ( -6.096 5.336 -2.116) 8.373 3.726 ( -6.151 -2.881 -1.991) 7.078 3.965 ( 2.080 4.076 -1.017) 4.687 4.129 ( 0.065 -8.247 -5.435) 9.877 4.179 ( -1.080 4.165 -2.281) 4.870 4.242 ( -1.613 0.132 -1.978) 2.556 4.337 ( -2.381 -0.637 2.770) 3.708 4.437 ( -1.824 -7.484 2.377) 8.061 4.799 ( 1.699 0.824 2.570) 3.189 4.813 ( 2.709 -0.317 2.014) 3.391 4.965 ( -3.348 10.128 -5.340) 11.929 5.197 ( -2.960 -10.822 -6.058) 12.751 5.607 ( -1.617 4.345 4.944) 6.777 5.714 ( -3.639 -5.379 5.980) 8.828 6.400 ( 2.245 1.306 2.847) 3.854 6.464 ( 0.013 -0.518 -3.841) 3.876 6.543 ( -1.363 3.297 4.085) 5.423 6.692 ( -3.470 -7.016 -2.590) 8.245 7.070 ( -2.319 3.515 0.467) 4.237 7.146 ( -1.627 -3.138 -1.346) 3.783 7.748 ( -4.655 4.090 -0.325) 6.205 7.814 ( -1.815 -1.820 -0.136) 2.574 10.421 ( -0.336 0.915 -0.194) 0.995 10.446 ( 0.257 -1.332 -0.420) 1.420 13.968 ( -0.024 0.261 0.329) 0.420 13.972 ( -0.248 -0.138 -0.052) 0.289 15.082 ( -1.921 0.751 0.501) 2.123 15.101 ( -1.687 -0.940 -0.054) 1.932 16.795 ( -0.282 0.936 -0.077) 0.981 16.807 ( -0.010 -0.188 -0.219) 0.289 22.194 ( 0.829 0.494 0.022) 0.966 22.210 ( 1.208 -0.959 -0.042) 1.543 25.092 ( 0.184 0.087 -0.031) 0.206 25.094 ( 0.245 -0.097 0.002) 0.263 25.813 ( -0.472 0.584 0.025) 0.751 25.829 ( 0.250 -0.834 0.008) 0.871 39.515 ( 0.545 0.772 0.058) 0.947 39.544 ( 1.382 -1.950 -0.095) 2.392 42.547 ( -0.055 0.210 0.087) 0.234 42.551 ( -0.020 -0.151 -0.044) 0.159 48.316 ( -1.417 3.865 0.244) 4.123 48.349 ( -0.876 0.798 -0.034) 1.185 48.797 ( 14.514 3.757 -0.134) 14.993 48.814 ( 14.084 2.133 -0.081) 14.245 ======================= Grid point 200 (106/180) ======================= q-point: (-0.36 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -1.037 17.689 3.394) 18.042 3.082 ( -7.056 3.687 -0.412) 7.972 3.135 ( -0.859 -1.890 0.972) 2.292 3.288 ( 1.190 -8.677 0.155) 8.759 3.443 ( -10.650 4.992 -0.489) 11.772 3.560 ( -9.636 -2.981 -0.931) 10.130 3.981 ( -1.295 1.687 -2.158) 3.029 4.075 ( -4.345 -3.237 -4.812) 7.247 4.148 ( -5.722 5.767 0.160) 8.125 4.159 ( -1.290 6.409 0.574) 6.563 4.290 ( -4.048 -3.798 0.636) 5.587 4.438 ( 2.565 -11.712 -1.084) 12.039 4.751 ( -6.285 5.123 9.006) 12.118 4.852 ( -0.571 -4.569 5.864) 7.456 4.935 ( 1.267 5.552 -10.037) 11.540 5.118 ( -3.517 -10.009 -8.944) 13.876 5.555 ( -4.302 4.075 4.773) 7.609 5.633 ( -4.005 -3.118 4.725) 6.935 6.388 ( -5.942 1.736 -7.689) 9.871 6.414 ( -2.866 -2.379 -0.816) 3.813 6.572 ( 3.018 -1.580 7.331) 8.084 6.622 ( -1.509 -4.525 1.588) 5.028 7.018 ( -2.495 4.486 -0.312) 5.142 7.108 ( -1.710 -3.581 -2.255) 4.564 7.636 ( -5.708 6.571 0.206) 8.706 7.755 ( -3.425 -4.129 0.271) 5.372 10.416 ( -0.106 1.485 -0.192) 1.501 10.452 ( 0.373 -1.760 -0.280) 1.820 13.965 ( -0.256 0.083 0.055) 0.275 13.967 ( -0.106 -0.120 0.244) 0.292 15.018 ( -4.419 1.064 0.295) 4.554 15.045 ( -3.842 -1.462 0.258) 4.119 16.788 ( -0.305 1.028 -0.194) 1.090 16.805 ( -0.206 -0.507 -0.291) 0.619 22.221 ( 1.697 0.806 -0.064) 1.879 22.243 ( 1.957 -1.268 0.002) 2.332 25.098 ( 0.334 0.149 -0.049) 0.369 25.101 ( 0.377 -0.139 0.019) 0.402 25.803 ( -0.560 1.269 0.033) 1.387 25.833 ( 0.068 -1.420 0.061) 1.423 39.534 ( 1.299 1.587 0.054) 2.051 39.581 ( 2.153 -2.811 -0.066) 3.541 42.545 ( -0.168 0.299 0.014) 0.343 42.551 ( -0.019 -0.238 0.037) 0.242 48.336 ( 3.335 3.731 0.330) 5.015 48.376 ( 3.702 -0.108 -0.212) 3.710 49.171 ( 20.504 4.192 -0.101) 20.928 49.176 ( 20.964 3.864 -0.082) 21.317 ======================= Grid point 201 (107/180) ======================= q-point: (-0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -9.812 13.115 -0.345) 16.383 3.001 ( -1.006 18.142 1.756) 18.254 3.105 ( -8.317 -7.536 -2.020) 11.404 3.169 ( -6.773 2.490 0.446) 7.230 3.260 ( -9.012 -1.744 0.950) 9.228 3.377 ( -4.785 -8.241 0.998) 9.581 3.895 ( -5.811 3.597 0.479) 6.851 3.967 ( -5.763 -1.708 -3.818) 7.121 4.037 ( -5.499 8.314 0.351) 9.975 4.145 ( -0.005 6.988 -0.448) 7.002 4.152 ( -8.396 2.648 0.754) 8.836 4.504 ( 1.264 -10.360 -0.211) 10.439 4.605 ( -7.406 2.347 9.915) 12.596 4.793 ( -3.826 -10.304 7.127) 13.099 4.957 ( 0.667 1.815 -9.354) 9.552 5.054 ( -1.922 -5.893 -12.559) 14.005 5.441 ( -6.602 6.483 4.809) 10.428 5.556 ( -4.661 -3.800 3.439) 6.928 6.216 ( -9.258 0.194 -5.390) 10.714 6.275 ( -9.045 -6.196 -3.683) 11.566 6.635 ( 3.000 1.447 5.194) 6.170 6.698 ( 6.076 -5.834 5.569) 10.098 6.967 ( -2.348 5.308 -2.405) 6.282 7.071 ( -1.492 -4.144 -3.849) 5.850 7.542 ( -2.664 7.829 1.389) 8.386 7.699 ( -1.238 -5.837 0.687) 6.006 10.417 ( 0.217 1.895 -0.059) 1.908 10.460 ( 0.400 -1.948 -0.081) 1.990 13.960 ( -0.204 0.141 -0.032) 0.251 13.966 ( -0.034 -0.416 0.294) 0.511 14.898 ( -7.162 1.472 0.136) 7.313 14.938 ( -6.644 -2.212 0.544) 7.024 16.782 ( -0.249 0.894 -0.428) 1.022 16.798 ( -0.351 -0.627 -0.260) 0.764 22.261 ( 2.179 1.028 -0.179) 2.416 22.288 ( 2.350 -1.448 0.028) 2.761 25.105 ( 0.370 0.189 -0.056) 0.419 25.109 ( 0.386 -0.158 0.028) 0.418 25.791 ( -0.532 1.818 0.072) 1.896 25.832 ( -0.119 -1.857 0.149) 1.867 39.567 ( 1.813 2.318 0.135) 2.946 39.630 ( 2.487 -3.607 -0.096) 4.382 42.541 ( -0.231 0.451 -0.035) 0.508 42.550 ( -0.077 -0.386 0.096) 0.405 48.446 ( 6.931 3.855 0.457) 7.944 48.494 ( 7.371 -0.718 -0.331) 7.414 49.626 ( 23.357 6.413 -0.007) 24.221 49.661 ( 25.359 3.350 -0.354) 25.582 ======================= Grid point 202 (108/180) ======================= q-point: (-0.21 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -18.511 11.603 -0.174) 21.848 2.740 ( -20.587 0.760 -3.782) 20.946 2.930 ( -6.737 13.623 0.431) 15.204 3.088 ( -4.751 6.796 1.570) 8.439 3.157 ( -0.177 -7.934 -0.025) 7.936 3.332 ( -1.135 -11.233 1.713) 11.420 3.756 ( -8.171 4.939 -0.354) 9.554 3.837 ( -6.236 1.161 -3.318) 7.159 3.913 ( -7.700 1.868 2.872) 8.428 3.932 ( -10.191 -1.790 1.160) 10.412 4.209 ( 5.646 22.940 -2.878) 23.799 4.403 ( -7.613 7.475 8.131) 13.414 4.481 ( -8.054 -8.131 10.906) 15.809 4.815 ( 4.922 -16.664 0.122) 17.376 4.926 ( -2.689 1.710 -9.744) 10.252 4.995 ( -2.965 -3.716 -12.198) 13.092 5.302 ( -7.081 6.938 4.332) 10.818 5.423 ( -8.619 -3.824 2.956) 9.882 6.031 ( -7.587 -0.739 -3.765) 8.502 6.089 ( -7.941 -6.827 -0.656) 10.493 6.676 ( -0.695 3.874 2.817) 4.840 6.778 ( -0.475 -5.318 -0.571) 5.370 6.954 ( 2.631 3.894 0.130) 4.701 7.062 ( 1.547 -4.824 -1.648) 5.327 7.549 ( 3.275 7.465 1.349) 8.263 7.736 ( 5.218 -8.384 -0.150) 9.877 10.425 ( 0.486 2.051 0.185) 2.115 10.468 ( 0.360 -1.832 0.181) 1.876 13.957 ( -0.090 0.174 -0.077) 0.210 13.967 ( 0.049 -0.716 0.187) 0.742 14.726 ( -9.301 1.698 0.055) 9.455 14.773 ( -9.172 -2.775 0.699) 9.608 16.775 ( -0.471 0.879 -0.853) 1.312 16.793 ( -0.102 -0.759 0.114) 0.774 22.306 ( 2.100 1.307 -0.260) 2.487 22.338 ( 2.381 -1.620 0.030) 2.881 25.112 ( 0.309 0.196 -0.049) 0.369 25.116 ( 0.294 -0.155 0.031) 0.334 25.783 ( -0.255 2.092 0.125) 2.111 25.829 ( -0.164 -2.073 0.262) 2.096 39.607 ( 2.003 2.811 0.286) 3.463 39.681 ( 2.371 -4.184 -0.178) 4.813 42.536 ( -0.215 0.578 -0.057) 0.620 42.548 ( -0.148 -0.500 0.125) 0.536 48.607 ( 8.263 4.133 0.563) 9.256 48.664 ( 8.651 -1.218 -0.349) 8.744 50.115 ( 23.446 9.116 0.159) 25.156 50.201 ( 26.414 1.313 -1.016) 26.466 ======================= Grid point 203 (109/180) ======================= q-point: (-0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( -22.445 8.716 1.604) 24.131 2.288 ( -21.887 -1.350 -3.491) 22.204 2.799 ( -5.609 18.083 0.844) 18.951 3.002 ( -4.439 2.651 -1.484) 5.379 3.131 ( -2.584 -1.620 -0.935) 3.190 3.324 ( -0.182 -11.024 1.544) 11.133 3.568 ( -8.781 3.708 -2.902) 9.964 3.685 ( -9.197 1.580 5.405) 10.784 3.721 ( -5.437 -3.225 -5.321) 8.263 3.808 ( -5.211 -3.881 0.775) 6.544 4.210 ( -6.853 3.522 9.257) 12.044 4.315 ( -7.813 -6.900 9.137) 13.861 4.425 ( 10.026 32.281 -3.816) 34.017 4.845 ( -4.392 2.242 -5.593) 7.456 4.879 ( -2.153 -6.794 -6.054) 9.351 4.925 ( -0.907 -4.787 -3.761) 6.155 5.180 ( -4.408 2.238 2.619) 5.595 5.221 ( -9.860 -1.483 1.540) 10.089 5.906 ( -4.244 0.003 -1.189) 4.408 5.962 ( -4.393 -6.189 3.335) 8.290 6.609 ( -4.781 5.436 -1.947) 7.496 6.718 ( -3.443 -3.429 -7.855) 9.236 7.037 ( 3.939 1.401 5.975) 7.292 7.117 ( 2.747 -4.980 4.971) 7.553 7.666 ( 7.365 7.263 -1.259) 10.420 7.901 ( 9.839 -13.152 -3.186) 16.732 10.437 ( 0.624 1.960 0.519) 2.121 10.475 ( 0.264 -1.470 0.462) 1.563 13.956 ( 0.021 0.178 -0.181) 0.254 13.968 ( 0.084 -0.952 0.056) 0.957 14.529 ( -9.307 1.544 0.059) 9.434 14.573 ( -9.854 -2.655 0.647) 10.226 16.763 ( -0.514 1.469 -0.707) 1.709 16.794 ( 0.154 -1.299 0.235) 1.330 22.345 ( 1.614 1.732 -0.161) 2.373 22.383 ( 1.963 -1.903 -0.031) 2.734 25.118 ( 0.225 0.161 -0.033) 0.279 25.121 ( 0.170 -0.130 0.026) 0.215 25.782 ( 0.176 1.984 0.182) 2.000 25.827 ( -0.114 -2.011 0.336) 2.043 39.647 ( 1.806 2.954 0.495) 3.498 39.724 ( 1.833 -4.457 -0.313) 4.829 42.533 ( -0.095 0.585 -0.053) 0.595 42.544 ( -0.217 -0.479 0.119) 0.540 48.772 ( 7.224 4.326 0.680) 8.448 48.833 ( 7.391 -1.527 -0.310) 7.553 50.566 ( 19.527 11.857 0.485) 22.850 50.719 ( 23.032 -2.343 -2.260) 23.261 ======================= Grid point 204 (110/180) ======================= q-point: (-0.07 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -16.854 8.796 2.470) 19.171 1.884 ( -15.370 -2.890 -2.436) 15.828 2.704 ( -3.397 18.170 1.862) 18.578 2.903 ( -4.426 -2.437 -1.652) 5.316 3.065 ( -2.903 8.891 -1.122) 9.420 3.296 ( -2.613 -3.944 1.157) 4.871 3.419 ( -5.358 1.487 -5.181) 7.600 3.595 ( 0.203 -7.771 4.705) 9.086 3.616 ( -4.535 -3.967 -6.675) 8.992 3.714 ( -3.381 -5.948 2.502) 7.285 4.107 ( -2.680 4.275 4.286) 6.621 4.202 ( -3.343 -4.924 4.105) 7.230 4.607 ( 4.901 18.174 -3.496) 19.145 4.700 ( -8.941 1.157 1.177) 9.092 4.816 ( -1.885 3.824 -2.389) 4.887 4.888 ( -1.844 -0.554 -3.548) 4.036 5.054 ( -2.756 5.235 -0.833) 5.974 5.159 ( -0.688 1.490 1.378) 2.143 5.853 ( -0.924 1.993 2.668) 3.456 5.914 ( -0.851 -4.601 6.868) 8.310 6.508 ( -4.234 5.935 -5.681) 9.242 6.647 ( -2.317 -5.397 -10.689) 12.197 7.113 ( 2.668 0.588 9.597) 9.978 7.168 ( 1.503 -3.911 9.146) 10.060 7.808 ( 5.589 6.899 -4.037) 9.753 8.080 ( 6.716 -17.424 -6.821) 19.880 10.450 ( 0.573 1.691 0.895) 1.997 10.480 ( 0.148 -1.000 0.646) 1.200 13.958 ( 0.142 0.096 -0.248) 0.302 13.969 ( -0.009 -0.998 -0.041) 0.999 14.366 ( -5.913 0.911 0.168) 5.985 14.392 ( -7.016 -1.627 0.366) 7.211 16.756 ( -0.026 1.987 -0.084) 1.989 16.797 ( 0.118 -1.684 0.156) 1.696 22.372 ( 1.011 2.004 0.148) 2.250 22.415 ( 1.063 -2.101 -0.164) 2.360 25.122 ( 0.145 0.080 -0.014) 0.166 25.123 ( 0.057 -0.075 0.003) 0.094 25.789 ( 0.415 1.502 0.290) 1.585 25.824 ( -0.187 -1.638 0.263) 1.670 39.679 ( 1.156 2.743 0.738) 3.066 39.753 ( 0.946 -4.427 -0.499) 4.555 42.532 ( 0.072 0.391 -0.015) 0.398 42.539 ( -0.258 -0.251 0.069) 0.367 48.893 ( 4.245 4.288 0.838) 6.091 48.955 ( 4.165 -1.574 -0.297) 4.462 50.892 ( 11.258 13.950 0.871) 17.947 51.106 ( 13.768 -6.347 -3.773) 15.623 ======================= Grid point 261 (111/180) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -10.946 0.000 20.418) 23.167 1.025 ( 3.983 0.000 13.330) 13.912 1.312 ( 4.147 0.000 -6.459) 7.675 1.627 ( 1.250 0.000 -22.259) 22.294 2.122 ( 10.274 0.000 41.468) 42.722 2.627 ( 4.339 0.000 -10.026) 10.925 2.901 ( -1.075 0.000 9.767) 9.826 3.191 ( -8.899 0.000 -19.320) 21.271 3.700 ( -1.205 0.000 7.482) 7.578 3.849 ( 10.342 0.000 -3.851) 11.035 3.916 ( -11.025 0.000 -1.937) 11.194 3.917 ( -5.211 0.000 -6.321) 8.192 4.285 ( -6.867 0.000 3.020) 7.501 4.340 ( 6.807 0.000 -2.013) 7.098 4.519 ( -4.610 0.000 6.345) 7.842 4.633 ( 5.039 0.000 -4.573) 6.805 4.690 ( 9.880 0.000 -0.891) 9.921 4.716 ( -12.263 0.000 -3.970) 12.889 6.096 ( 2.382 0.000 12.089) 12.322 6.334 ( -1.760 0.000 -11.795) 11.925 6.703 ( 1.643 0.000 4.010) 4.334 6.785 ( -1.774 0.000 -4.162) 4.524 7.699 ( 5.252 0.000 1.857) 5.570 7.721 ( -4.325 0.000 -0.104) 4.326 7.943 ( 11.234 0.000 14.198) 18.105 8.210 ( -8.914 0.000 -12.446) 15.309 10.425 ( 0.463 0.000 1.623) 1.688 10.469 ( -0.948 0.000 -2.825) 2.980 14.022 ( 3.056 0.000 1.007) 3.218 14.042 ( -3.047 0.000 -1.027) 3.215 14.371 ( 8.111 0.000 0.522) 8.128 14.378 ( -14.429 0.000 -0.242) 14.431 16.748 ( 0.678 0.000 2.272) 2.371 16.791 ( -0.599 0.000 -2.030) 2.116 22.557 ( -2.986 0.000 1.825) 3.500 22.594 ( 6.926 0.000 -1.852) 7.170 25.123 ( -0.408 0.000 0.121) 0.426 25.126 ( 0.409 0.000 -0.120) 0.426 25.806 ( 0.341 0.000 1.213) 1.260 25.829 ( -0.326 0.000 -1.172) 1.216 40.180 ( -7.252 0.000 0.001) 7.252 40.181 ( 15.333 0.000 -0.019) 15.333 42.516 ( -1.046 0.000 0.436) 1.133 42.525 ( 1.041 0.000 -0.425) 1.124 48.530 ( -1.637 0.000 6.920) 7.111 48.686 ( 2.135 0.000 -9.119) 9.366 49.498 ( 2.128 0.000 8.284) 8.553 49.637 ( -6.616 0.000 -6.082) 8.987 ======================= Grid point 262 (112/180) ======================= q-point: ( 0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 20.135 0.000 15.722) 25.546 1.264 ( 14.171 0.000 23.061) 27.068 1.589 ( 23.183 0.000 -15.628) 27.959 1.700 ( 7.619 0.000 -23.253) 24.469 2.394 ( 14.436 0.000 25.120) 28.973 2.685 ( -1.166 0.000 -30.729) 30.751 2.999 ( 8.088 0.000 19.899) 21.479 3.079 ( 2.628 0.000 -4.803) 5.474 3.685 ( 3.224 0.000 2.950) 4.370 3.859 ( 2.465 0.000 -2.917) 3.819 3.890 ( 2.752 0.000 0.326) 2.771 4.076 ( 7.007 0.000 4.787) 8.485 4.285 ( 6.720 0.000 -0.707) 6.757 4.423 ( 1.837 0.000 5.969) 6.245 4.483 ( -4.496 0.000 -2.425) 5.108 4.656 ( 12.676 0.000 -2.910) 13.006 4.795 ( 9.921 0.000 -1.908) 10.103 4.919 ( 11.557 0.000 2.049) 11.738 6.163 ( 3.242 0.000 11.241) 11.699 6.266 ( -3.800 0.000 -12.146) 12.727 6.743 ( -1.983 0.000 -4.271) 4.709 6.752 ( 2.781 0.000 4.301) 5.122 7.579 ( -8.914 0.000 -2.328) 9.213 7.615 ( -13.008 0.000 3.834) 13.561 8.038 ( -3.734 0.000 -13.445) 13.954 8.123 ( 4.588 0.000 11.657) 12.527 10.439 ( 0.734 0.000 2.106) 2.230 10.448 ( -0.767 0.000 -2.132) 2.265 13.997 ( -0.953 0.000 -0.760) 1.219 14.050 ( -1.821 0.000 2.276) 2.915 14.323 ( 7.817 0.000 -1.007) 7.882 14.618 ( 14.126 0.000 6.722) 15.644 16.752 ( -0.312 0.000 2.339) 2.359 16.764 ( -1.743 0.000 -2.327) 2.907 22.468 ( -4.948 0.000 -1.635) 5.211 22.637 ( -1.985 0.000 -3.330) 3.876 25.117 ( -0.193 0.000 -0.047) 0.199 25.132 ( 0.146 0.000 -0.046) 0.153 25.815 ( 0.417 0.000 1.175) 1.247 25.822 ( -0.303 0.000 -1.167) 1.206 39.987 ( -9.823 0.000 -6.507) 11.783 40.321 ( -1.225 0.000 -3.638) 3.838 42.504 ( -0.161 0.000 0.399) 0.430 42.547 ( 0.877 0.000 -0.167) 0.893 48.462 ( -5.479 0.000 6.184) 8.262 48.679 ( -1.771 0.000 -9.061) 9.233 49.412 ( -12.209 0.000 1.009) 12.251 49.446 ( -8.138 0.000 9.387) 12.424 ======================= Grid point 263 (113/180) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 25.344 0.000 10.356) 27.378 1.600 ( 15.950 0.000 17.613) 23.762 1.892 ( 12.721 0.000 -20.453) 24.086 2.096 ( 20.970 0.000 -19.586) 28.694 2.597 ( 3.243 0.000 -32.372) 32.534 2.792 ( 21.901 0.000 10.952) 24.487 3.207 ( 9.030 0.000 22.931) 24.645 3.245 ( 10.293 0.000 2.026) 10.491 3.850 ( 11.038 0.000 0.193) 11.040 3.969 ( 6.436 0.000 -5.277) 8.323 4.018 ( 11.939 0.000 5.069) 12.970 4.166 ( 3.472 0.000 10.243) 10.816 4.285 ( -6.739 0.000 3.232) 7.473 4.471 ( 9.011 0.000 -4.591) 10.113 4.661 ( 10.652 0.000 -5.995) 12.223 4.950 ( 14.585 0.000 3.928) 15.105 5.009 ( 10.277 0.000 0.721) 10.302 5.159 ( 11.489 0.000 3.821) 12.108 6.159 ( -5.309 0.000 -10.379) 11.658 6.254 ( 4.666 0.000 8.518) 9.712 6.689 ( -3.096 0.000 -4.445) 5.417 6.828 ( 4.175 0.000 4.398) 6.064 7.318 ( -13.723 0.000 4.501) 14.442 7.377 ( -9.299 0.000 -5.506) 10.807 7.981 ( -2.034 0.000 -11.949) 12.121 8.173 ( 0.073 0.000 7.788) 7.788 10.434 ( -0.432 0.000 -1.291) 1.361 10.455 ( 0.574 0.000 1.790) 1.879 13.993 ( 0.256 0.000 -0.148) 0.296 14.009 ( -1.802 0.000 2.194) 2.839 14.530 ( 10.507 0.000 -4.286) 11.347 14.906 ( 11.850 0.000 9.997) 15.504 16.723 ( -1.745 0.000 -2.227) 2.829 16.748 ( -0.214 0.000 2.107) 2.118 22.375 ( -3.533 0.000 -3.503) 4.975 22.552 ( -5.080 0.000 -0.877) 5.156 25.114 ( -0.155 0.000 -0.254) 0.298 25.131 ( -0.217 0.000 -0.027) 0.218 25.816 ( -0.135 0.000 -0.978) 0.988 25.825 ( 0.413 0.000 0.957) 1.042 39.806 ( -6.522 0.000 -9.030) 11.139 40.205 ( -7.995 0.000 0.893) 8.044 42.508 ( 0.457 0.000 0.544) 0.710 42.558 ( 0.177 0.000 0.126) 0.217 48.325 ( -7.995 0.000 5.042) 9.452 48.605 ( -4.397 0.000 -8.455) 9.530 49.177 ( -10.836 0.000 2.059) 11.030 49.200 ( -15.606 0.000 7.134) 17.159 ======================= Grid point 264 (114/180) ======================= q-point: ( 0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 10.164 0.000 0.967) 10.210 1.977 ( 23.477 0.000 7.032) 24.507 2.170 ( 15.269 0.000 -15.987) 22.107 2.250 ( 5.164 0.000 -21.585) 22.194 2.976 ( 28.154 0.000 -10.944) 30.206 3.257 ( 19.743 0.000 -1.737) 19.819 3.415 ( 10.932 0.000 22.178) 24.726 3.461 ( 10.410 0.000 2.689) 10.752 4.091 ( 12.142 0.000 -0.614) 12.157 4.143 ( -3.815 0.000 6.984) 7.958 4.162 ( 11.316 0.000 -7.328) 13.481 4.274 ( 6.317 0.000 6.905) 9.359 4.352 ( 14.019 0.000 14.471) 20.148 4.595 ( 3.559 0.000 -10.187) 10.791 4.827 ( 6.056 0.000 -7.052) 9.296 5.208 ( 8.912 0.000 2.040) 9.142 5.236 ( 12.358 0.000 3.235) 12.774 5.398 ( 10.641 0.000 6.721) 12.586 6.045 ( -4.397 0.000 -6.183) 7.587 6.364 ( 4.959 0.000 4.059) 6.408 6.605 ( -4.305 0.000 -4.917) 6.535 6.919 ( 2.915 0.000 5.915) 6.594 7.095 ( -7.115 0.000 2.019) 7.396 7.223 ( -4.547 0.000 -5.561) 7.184 7.913 ( -3.563 0.000 -10.668) 11.248 8.160 ( -1.606 0.000 5.108) 5.355 10.428 ( -0.065 0.000 -0.360) 0.366 10.465 ( 0.218 0.000 0.679) 0.713 13.980 ( -1.295 0.000 1.708) 2.143 13.999 ( 0.276 0.000 -0.030) 0.278 14.722 ( 8.283 0.000 -3.578) 9.023 15.102 ( 6.237 0.000 7.697) 9.906 16.693 ( -0.933 0.000 -1.428) 1.705 16.748 ( 0.073 0.000 1.664) 1.665 22.317 ( -1.967 0.000 -3.146) 3.710 22.448 ( -4.762 0.000 0.548) 4.793 25.109 ( -0.297 0.000 -0.357) 0.464 25.124 ( -0.383 0.000 0.057) 0.387 25.815 ( 0.143 0.000 -0.665) 0.680 25.834 ( 0.415 0.000 0.613) 0.740 39.700 ( -3.308 0.000 -7.525) 8.220 40.037 ( -7.997 0.000 2.974) 8.532 42.520 ( 0.530 0.000 0.579) 0.785 42.558 ( -0.059 0.000 0.080) 0.100 48.153 ( -8.717 0.000 3.615) 9.437 48.491 ( -5.721 0.000 -7.741) 9.626 48.853 ( -17.624 0.000 5.327) 18.411 48.957 ( -10.809 0.000 1.328) 10.890 ======================= Grid point 265 (115/180) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 3.849 0.000 -18.330) 18.729 2.401 ( 14.805 0.000 -1.804) 14.915 2.468 ( 14.291 0.000 2.374) 14.487 2.502 ( 19.746 0.000 -5.930) 20.617 3.508 ( 8.446 0.000 2.187) 8.725 3.524 ( 22.627 0.000 -2.226) 22.736 3.690 ( 12.414 0.000 1.166) 12.468 3.771 ( 18.271 0.000 4.706) 18.868 4.076 ( -2.451 0.000 8.046) 8.411 4.287 ( 1.888 0.000 -7.169) 7.414 4.374 ( 11.528 0.000 -1.297) 11.601 4.431 ( 7.560 0.000 7.726) 10.809 4.598 ( 6.018 0.000 13.585) 14.858 4.661 ( 6.346 0.000 -13.747) 15.141 4.935 ( 6.330 0.000 -1.577) 6.523 5.388 ( 8.546 0.000 0.739) 8.578 5.464 ( 9.730 0.000 -0.599) 9.749 5.564 ( 3.436 0.000 5.984) 6.901 6.006 ( 2.077 0.000 2.239) 3.054 6.426 ( -0.227 0.000 -6.352) 6.356 6.550 ( 0.954 0.000 0.753) 1.216 6.870 ( -5.931 0.000 6.551) 8.837 7.100 ( 4.672 0.000 0.467) 4.695 7.178 ( 0.217 0.000 -4.029) 4.035 7.818 ( -4.466 0.000 -8.605) 9.695 8.120 ( -2.700 0.000 3.066) 4.085 10.429 ( 0.137 0.000 0.568) 0.584 10.467 ( 0.065 0.000 -0.614) 0.617 13.958 ( -0.936 0.000 1.330) 1.627 14.001 ( -0.077 0.000 -0.191) 0.206 14.867 ( 6.156 0.000 -1.636) 6.370 15.189 ( 2.021 0.000 3.801) 4.305 16.681 ( -0.248 0.000 -0.613) 0.661 16.751 ( 0.012 0.000 1.177) 1.177 22.281 ( -1.367 0.000 -2.339) 2.709 22.360 ( -3.791 0.000 1.118) 3.953 25.101 ( -0.349 0.000 -0.377) 0.514 25.116 ( -0.435 0.000 0.171) 0.468 25.820 ( 0.404 0.000 -0.292) 0.498 25.843 ( 0.404 0.000 0.231) 0.465 39.644 ( -1.695 0.000 -5.228) 5.496 39.889 ( -6.593 0.000 3.057) 7.267 42.530 ( 0.377 0.000 0.538) 0.657 42.557 ( -0.102 0.000 -0.102) 0.144 47.983 ( -7.723 0.000 2.273) 8.050 48.353 ( -7.593 0.000 -7.106) 10.399 48.518 ( -13.993 0.000 4.723) 14.768 48.736 ( -10.531 0.000 0.999) 10.579 ======================= Grid point 266 (116/180) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 7.669 0.000 -12.397) 14.577 2.609 ( 6.612 0.000 -6.114) 9.006 2.767 ( 13.653 0.000 6.590) 15.160 2.919 ( 19.405 0.000 -1.828) 19.491 3.690 ( 9.545 0.000 -0.572) 9.562 3.770 ( 2.291 0.000 7.889) 8.215 4.002 ( 12.958 0.000 2.239) 13.150 4.084 ( 8.327 0.000 -6.654) 10.659 4.127 ( 9.358 0.000 3.061) 9.846 4.196 ( -3.858 0.000 -9.295) 10.064 4.538 ( -2.113 0.000 9.518) 9.750 4.583 ( 7.476 0.000 3.362) 8.197 4.647 ( 3.321 0.000 2.728) 4.298 4.825 ( 8.732 0.000 -13.249) 15.868 5.093 ( 7.510 0.000 6.979) 10.252 5.519 ( -1.546 0.000 -2.168) 2.663 5.594 ( 6.203 0.000 3.081) 6.926 5.641 ( 7.532 0.000 -1.318) 7.646 6.125 ( 7.142 0.000 9.288) 11.717 6.391 ( -0.925 0.000 -9.513) 9.558 6.610 ( 3.364 0.000 1.555) 3.706 6.762 ( -4.890 0.000 6.446) 8.091 7.192 ( 3.513 0.000 -0.382) 3.534 7.201 ( 1.812 0.000 -3.537) 3.974 7.729 ( -3.033 0.000 -4.442) 5.379 8.054 ( -3.833 0.000 0.809) 3.918 10.433 ( 0.058 0.000 1.336) 1.337 10.468 ( 0.139 0.000 -1.628) 1.634 13.944 ( -0.438 0.000 1.086) 1.171 13.996 ( -0.427 0.000 -0.448) 0.619 14.975 ( 4.430 0.000 0.141) 4.432 15.206 ( -0.249 0.000 0.867) 0.902 16.681 ( 0.261 0.000 -0.112) 0.284 16.749 ( -0.383 0.000 0.674) 0.775 22.254 ( -0.991 0.000 -1.765) 2.024 22.293 ( -2.820 0.000 1.274) 3.094 25.095 ( -0.227 0.000 -0.336) 0.405 25.107 ( -0.448 0.000 0.223) 0.501 25.830 ( 0.499 0.000 0.053) 0.502 25.850 ( 0.323 0.000 -0.102) 0.338 39.617 ( -0.618 0.000 -3.352) 3.408 39.771 ( -5.116 0.000 2.400) 5.651 42.536 ( 0.209 0.000 0.497) 0.539 42.554 ( -0.094 0.000 -0.256) 0.272 47.850 ( -5.158 0.000 1.254) 5.309 48.137 ( -11.531 0.000 -2.160) 11.731 48.336 ( -4.793 0.000 0.217) 4.798 48.533 ( -8.975 0.000 0.974) 9.028 ======================= Grid point 267 (117/180) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 9.533 0.000 -4.238) 10.432 2.664 ( -0.812 0.000 -7.220) 7.266 3.032 ( 11.199 0.000 8.383) 13.989 3.266 ( 13.502 0.000 -3.486) 13.945 3.731 ( -4.863 0.000 7.317) 8.786 3.905 ( 8.839 0.000 -5.078) 10.194 3.940 ( -7.021 0.000 -12.094) 13.984 4.215 ( 6.286 0.000 8.595) 10.648 4.336 ( 7.418 0.000 -3.746) 8.310 4.344 ( 8.140 0.000 1.931) 8.366 4.396 ( -7.650 0.000 4.903) 9.086 4.673 ( 0.832 0.000 4.016) 4.101 4.751 ( 3.989 0.000 3.799) 5.508 4.943 ( 3.427 0.000 -14.445) 14.846 5.237 ( 6.066 0.000 4.316) 7.445 5.431 ( -4.276 0.000 0.937) 4.377 5.753 ( 6.689 0.000 -1.350) 6.824 5.764 ( 3.984 0.000 1.438) 4.236 6.258 ( 4.096 0.000 8.524) 9.457 6.381 ( 0.420 0.000 -7.586) 7.598 6.679 ( 3.369 0.000 -0.529) 3.411 6.682 ( -3.440 0.000 7.497) 8.249 7.229 ( 0.757 0.000 -3.305) 3.391 7.229 ( 0.321 0.000 -2.309) 2.332 7.709 ( 1.550 0.000 1.114) 1.909 7.965 ( -4.649 0.000 -1.785) 4.980 10.433 ( -0.177 0.000 1.849) 1.858 10.470 ( 0.232 0.000 -2.155) 2.167 13.942 ( 0.141 0.000 1.010) 1.020 13.984 ( -0.614 0.000 -0.720) 0.946 15.053 ( 3.142 0.000 1.352) 3.421 15.188 ( -1.409 0.000 -0.859) 1.650 16.691 ( 0.752 0.000 0.202) 0.778 16.736 ( -0.810 0.000 0.178) 0.830 22.239 ( -0.276 0.000 -1.396) 1.423 22.246 ( -1.835 0.000 1.220) 2.204 25.092 ( 0.011 0.000 -0.259) 0.259 25.098 ( -0.401 0.000 0.201) 0.448 25.840 ( 0.392 0.000 0.297) 0.492 25.855 ( 0.125 0.000 -0.329) 0.352 39.614 ( 0.671 0.000 -2.019) 2.127 39.682 ( -3.713 0.000 1.628) 4.054 42.540 ( 0.106 0.000 0.474) 0.486 42.552 ( -0.072 0.000 -0.352) 0.359 47.781 ( -1.416 0.000 0.741) 1.598 47.929 ( -7.982 0.000 -0.677) 8.010 48.280 ( -0.854 0.000 -0.905) 1.245 48.376 ( -6.179 0.000 0.939) 6.250 ======================= Grid point 268 (118/180) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 7.238 0.000 1.021) 7.309 2.563 ( -8.074 0.000 -8.784) 11.931 3.231 ( 6.156 0.000 8.923) 10.841 3.396 ( -2.649 0.000 -8.053) 8.477 3.630 ( -4.246 0.000 7.179) 8.341 3.795 ( 0.182 0.000 -9.326) 9.328 4.089 ( -12.813 0.000 4.512) 13.584 4.167 ( 12.549 0.000 -3.129) 12.933 4.361 ( -0.764 0.000 4.122) 4.192 4.408 ( -0.778 0.000 0.190) 0.801 4.536 ( 8.849 0.000 6.282) 10.852 4.631 ( -4.439 0.000 -3.736) 5.802 4.782 ( -1.656 0.000 6.454) 6.663 4.933 ( -2.833 0.000 -10.191) 10.577 5.357 ( 5.313 0.000 -0.987) 5.404 5.380 ( -0.533 0.000 -2.281) 2.343 5.795 ( -1.326 0.000 3.668) 3.900 5.829 ( 0.217 0.000 -0.876) 0.902 6.297 ( -0.845 0.000 5.798) 5.859 6.382 ( -0.083 0.000 -4.649) 4.649 6.634 ( -1.978 0.000 7.920) 8.163 6.752 ( 3.781 0.000 -2.840) 4.729 7.212 ( -1.300 0.000 -0.957) 1.614 7.225 ( -0.987 0.000 -2.582) 2.764 7.789 ( 5.492 0.000 3.459) 6.491 7.865 ( -4.645 0.000 -4.107) 6.200 10.430 ( -0.284 0.000 2.105) 2.124 10.472 ( 0.123 0.000 -2.192) 2.195 13.951 ( 0.579 0.000 1.049) 1.198 13.971 ( -0.515 0.000 -0.945) 1.076 15.111 ( 2.364 0.000 2.025) 3.113 15.149 ( -2.281 0.000 -1.766) 2.885 16.711 ( 1.092 0.000 0.386) 1.158 16.717 ( -0.961 0.000 -0.241) 0.991 22.220 ( -0.789 0.000 1.095) 1.350 22.243 ( 0.754 0.000 -1.154) 1.379 25.091 ( -0.259 0.000 0.152) 0.301 25.095 ( 0.252 0.000 -0.184) 0.312 25.846 ( 0.177 0.000 0.411) 0.448 25.854 ( -0.183 0.000 -0.430) 0.468 39.620 ( -2.367 0.000 1.072) 2.598 39.643 ( 2.251 0.000 -1.184) 2.543 42.542 ( 0.079 0.000 0.466) 0.473 42.551 ( -0.057 0.000 -0.408) 0.411 47.797 ( 2.872 0.000 0.964) 3.029 47.815 ( -2.932 0.000 -0.895) 3.066 48.285 ( -2.539 0.000 0.596) 2.608 48.297 ( 2.598 0.000 -0.606) 2.668 ======================= Grid point 269 (119/180) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -13.623 0.000 -8.551) 16.085 2.555 ( 0.861 0.000 3.603) 3.704 3.203 ( -12.388 0.000 -8.756) 15.170 3.214 ( -8.888 0.000 2.038) 9.119 3.657 ( 6.328 0.000 12.978) 14.439 3.837 ( -10.992 0.000 4.477) 11.869 3.869 ( 4.704 0.000 -6.858) 8.316 4.268 ( -9.246 0.000 3.797) 9.996 4.292 ( -5.857 0.000 0.861) 5.920 4.381 ( -0.941 0.000 -2.963) 3.109 4.535 ( 1.332 0.000 -8.096) 8.205 4.663 ( 0.368 0.000 5.134) 5.147 4.711 ( -4.223 0.000 9.848) 10.715 4.842 ( -4.552 0.000 -6.887) 8.255 5.379 ( 0.011 0.000 -8.697) 8.697 5.448 ( 3.644 0.000 -2.137) 4.225 5.726 ( -5.008 0.000 3.111) 5.895 5.755 ( -7.089 0.000 1.860) 7.329 6.258 ( -2.642 0.000 5.547) 6.144 6.356 ( -2.350 0.000 -3.355) 4.096 6.611 ( -1.024 0.000 6.329) 6.412 6.825 ( 3.477 0.000 -5.259) 6.305 7.180 ( -1.849 0.000 1.065) 2.134 7.189 ( -2.128 0.000 0.674) 2.233 7.773 ( -3.571 0.000 -4.974) 6.123 7.921 ( 6.662 0.000 2.575) 7.143 10.427 ( -0.065 0.000 2.122) 2.123 10.469 ( -0.239 0.000 -1.861) 1.876 13.963 ( -0.079 0.000 -1.085) 1.088 13.966 ( 0.739 0.000 1.080) 1.308 15.088 ( -3.462 0.000 -2.147) 4.074 15.158 ( 1.997 0.000 2.224) 2.989 16.699 ( -0.747 0.000 -0.514) 0.907 16.735 ( 1.093 0.000 0.369) 1.154 22.215 ( 0.179 0.000 0.991) 1.007 22.268 ( 1.794 0.000 -0.986) 2.047 25.088 ( -0.035 0.000 0.118) 0.123 25.102 ( 0.402 0.000 -0.138) 0.425 25.847 ( -0.518 0.000 -0.405) 0.657 25.848 ( -0.014 0.000 0.398) 0.398 39.585 ( -1.184 0.000 0.903) 1.489 39.705 ( 3.869 0.000 -0.767) 3.945 42.544 ( 0.102 0.000 0.467) 0.478 42.549 ( -0.079 0.000 -0.446) 0.453 47.806 ( 2.067 0.000 -1.756) 2.713 47.899 ( 6.664 0.000 2.329) 7.059 48.276 ( 1.790 0.000 -0.463) 1.849 48.385 ( 5.921 0.000 -0.026) 5.921 ======================= Grid point 270 (120/180) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -15.892 0.000 -3.738) 16.326 2.486 ( -8.201 0.000 6.178) 10.267 2.916 ( -14.398 0.000 -7.544) 16.255 2.941 ( -15.813 0.000 -4.532) 16.450 3.653 ( -7.186 0.000 2.474) 7.600 3.843 ( 8.045 0.000 16.012) 17.919 3.897 ( -3.198 0.000 -4.912) 5.861 3.964 ( -20.508 0.000 4.009) 20.896 4.140 ( -7.779 0.000 -1.483) 7.919 4.229 ( -5.691 0.000 -5.699) 8.054 4.530 ( -10.056 0.000 7.391) 12.480 4.631 ( -8.008 0.000 8.008) 11.325 4.668 ( 3.965 0.000 -1.154) 4.129 4.743 ( -2.191 0.000 -10.767) 10.988 5.309 ( -7.729 0.000 -13.292) 15.376 5.498 ( 0.291 0.000 -0.889) 0.936 5.584 ( -7.738 0.000 4.698) 9.053 5.633 ( -2.734 0.000 0.807) 2.850 6.228 ( -0.239 0.000 6.947) 6.951 6.264 ( -6.413 0.000 -5.018) 8.143 6.596 ( -1.035 0.000 3.455) 3.607 6.885 ( 3.216 0.000 -6.180) 6.967 7.136 ( -2.522 0.000 2.520) 3.565 7.143 ( -2.667 0.000 3.994) 4.803 7.717 ( -1.281 0.000 -3.135) 3.386 8.054 ( 5.830 0.000 0.667) 5.868 10.433 ( 0.420 0.000 1.869) 1.915 10.458 ( -0.663 0.000 -1.310) 1.468 13.967 ( 0.559 0.000 -1.150) 1.279 13.982 ( 0.639 0.000 0.984) 1.174 14.998 ( -5.193 0.000 -2.067) 5.590 15.198 ( 1.722 0.000 1.771) 2.470 16.687 ( -0.357 0.000 -0.636) 0.729 16.755 ( 0.798 0.000 0.092) 0.803 22.227 ( 0.776 0.000 0.949) 1.225 22.313 ( 2.631 0.000 -0.779) 2.744 25.090 ( 0.207 0.000 0.107) 0.232 25.110 ( 0.418 0.000 -0.110) 0.433 25.833 ( -0.742 0.000 -0.251) 0.783 25.847 ( -0.102 0.000 0.266) 0.285 39.570 ( -0.376 0.000 1.201) 1.258 39.799 ( 5.280 0.000 -0.572) 5.311 42.546 ( -0.158 0.000 -0.493) 0.518 42.547 ( 0.141 0.000 0.478) 0.498 47.892 ( 6.292 0.000 -3.036) 6.986 48.059 ( 7.980 0.000 5.079) 9.459 48.368 ( 7.609 0.000 -2.434) 7.989 48.538 ( 8.665 0.000 0.562) 8.683 ======================= Grid point 271 (121/180) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -13.583 0.000 7.657) 15.593 2.233 ( -16.481 0.000 10.391) 19.483 2.589 ( -17.396 0.000 -10.868) 20.512 2.601 ( -15.270 0.000 -7.477) 17.002 3.448 ( -29.049 0.000 4.362) 29.375 3.503 ( -8.844 0.000 0.502) 8.859 3.726 ( -11.320 0.000 -1.797) 11.462 3.875 ( -6.330 0.000 -1.618) 6.534 4.100 ( 3.514 0.000 9.156) 9.808 4.197 ( 1.236 0.000 -4.534) 4.699 4.287 ( -13.763 0.000 8.322) 16.084 4.427 ( -10.031 0.000 9.415) 13.757 4.559 ( -8.331 0.000 -4.670) 9.551 4.805 ( 2.586 0.000 -7.885) 8.299 5.019 ( -17.485 0.000 -8.833) 19.590 5.419 ( -6.692 0.000 -2.421) 7.116 5.472 ( -4.507 0.000 -1.639) 4.796 5.630 ( -0.160 0.000 0.192) 0.250 6.095 ( -8.419 0.000 -5.771) 10.207 6.269 ( 3.367 0.000 7.868) 8.558 6.575 ( -1.052 0.000 0.263) 1.084 6.962 ( 4.872 0.000 -4.022) 6.318 7.079 ( -3.762 0.000 3.227) 4.956 7.087 ( -2.195 0.000 4.510) 5.016 7.717 ( 1.253 0.000 0.939) 1.566 8.158 ( 4.246 0.000 -1.096) 4.385 10.441 ( -0.848 0.000 -0.670) 1.080 10.448 ( 0.869 0.000 1.288) 1.554 13.984 ( 1.128 0.000 -1.182) 1.634 13.993 ( 0.370 0.000 0.697) 0.789 14.868 ( -7.252 0.000 -1.526) 7.410 15.228 ( 0.965 0.000 0.045) 0.966 16.682 ( -0.068 0.000 -0.626) 0.629 16.768 ( 0.482 0.000 -0.419) 0.638 22.245 ( 0.832 0.000 1.099) 1.378 22.374 ( 3.266 0.000 -0.340) 3.284 25.097 ( 0.363 0.000 0.096) 0.376 25.118 ( 0.332 0.000 -0.050) 0.336 25.817 ( -0.731 0.000 0.027) 0.731 25.845 ( -0.100 0.000 0.024) 0.102 39.569 ( -0.006 0.000 2.166) 2.166 39.920 ( 6.326 0.000 -0.244) 6.331 42.541 ( -0.288 0.000 -0.577) 0.645 42.551 ( 0.157 0.000 0.502) 0.526 48.050 ( 9.162 0.000 -4.590) 10.247 48.217 ( 6.617 0.000 6.850) 9.524 48.592 ( 14.077 0.000 -2.943) 14.382 48.737 ( 10.359 0.000 1.012) 10.408 ======================= Grid point 272 (122/180) ======================= q-point: (-0.21 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -6.141 0.000 24.596) 25.351 1.865 ( -19.304 0.000 14.478) 24.130 2.194 ( -19.868 0.000 -15.459) 25.174 2.279 ( -14.993 0.000 -8.558) 17.264 2.799 ( -33.668 0.000 6.498) 34.289 3.242 ( -16.187 0.000 -0.508) 16.195 3.475 ( -12.462 0.000 0.737) 12.483 3.749 ( -5.047 0.000 -11.756) 12.794 4.022 ( -10.038 0.000 6.488) 11.952 4.051 ( -9.671 0.000 4.421) 10.633 4.224 ( 1.217 0.000 -2.060) 2.393 4.356 ( -11.793 0.000 -0.673) 11.812 4.358 ( 1.270 0.000 13.660) 13.719 4.635 ( -14.976 0.000 -12.669) 19.616 4.802 ( -3.416 0.000 -5.322) 6.324 5.242 ( -10.255 0.000 -1.330) 10.341 5.352 ( -7.494 0.000 -8.509) 11.338 5.530 ( -10.004 0.000 -5.466) 11.399 5.977 ( -1.820 0.000 0.786) 1.982 6.355 ( 3.265 0.000 4.862) 5.856 6.570 ( 1.224 0.000 -0.648) 1.385 6.979 ( -4.190 0.000 -0.355) 4.205 7.075 ( 1.152 0.000 8.828) 8.903 7.111 ( 8.278 0.000 -0.090) 8.278 7.758 ( 2.068 0.000 4.284) 4.758 8.230 ( 2.940 0.000 -2.321) 3.746 10.425 ( -0.641 0.000 -0.045) 0.643 10.468 ( 0.953 0.000 0.356) 1.018 13.998 ( 0.011 0.000 0.234) 0.234 14.010 ( 1.493 0.000 -1.187) 1.908 14.698 ( -9.041 0.000 -0.803) 9.077 15.225 ( -1.581 0.000 -4.194) 4.482 16.682 ( 0.139 0.000 -0.284) 0.316 16.776 ( 0.417 0.000 -1.037) 1.118 22.263 ( 0.824 0.000 1.968) 2.134 22.446 ( 3.675 0.000 0.533) 3.714 25.104 ( 0.372 0.000 0.051) 0.376 25.124 ( 0.231 0.000 0.092) 0.248 25.805 ( -0.483 0.000 0.389) 0.620 25.843 ( -0.078 0.000 -0.301) 0.311 39.576 ( 0.618 0.000 4.489) 4.532 40.056 ( 6.678 0.000 0.655) 6.710 42.533 ( -0.423 0.000 -0.721) 0.835 42.554 ( 0.059 0.000 0.560) 0.563 48.249 ( 10.247 0.000 -6.217) 11.985 48.348 ( 5.470 0.000 6.988) 8.874 48.922 ( 17.532 0.000 -1.655) 17.610 48.958 ( 10.799 0.000 1.329) 10.880 ======================= Grid point 273 (123/180) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.013 0.000 35.340) 35.340 1.491 ( -18.167 0.000 18.724) 26.089 1.751 ( -20.502 0.000 -17.833) 27.172 1.983 ( -12.271 0.000 -11.003) 16.482 2.107 ( -32.059 0.000 13.985) 34.977 2.892 ( -15.852 0.000 -2.755) 16.090 3.225 ( -11.705 0.000 3.414) 12.193 3.596 ( -8.574 0.000 -12.256) 14.957 3.832 ( -8.900 0.000 1.745) 9.070 3.950 ( 1.186 0.000 -3.408) 3.609 4.043 ( -16.511 0.000 2.698) 16.730 4.235 ( -0.642 0.000 0.886) 1.094 4.364 ( -2.943 0.000 7.493) 8.050 4.453 ( -1.878 0.000 -12.470) 12.610 4.687 ( -6.659 0.000 -7.024) 9.679 4.996 ( -13.421 0.000 1.947) 13.561 5.113 ( -15.300 0.000 -13.474) 20.387 5.263 ( -13.636 0.000 -6.769) 15.224 5.989 ( 1.664 0.000 6.701) 6.905 6.384 ( -0.076 0.000 -4.000) 4.001 6.624 ( 2.910 0.000 1.896) 3.473 6.893 ( -3.595 0.000 -2.185) 4.207 7.189 ( 9.530 0.000 14.181) 17.086 7.330 ( 12.599 0.000 2.599) 12.865 7.797 ( 1.019 0.000 5.865) 5.953 8.280 ( 2.252 0.000 -3.419) 4.094 10.416 ( -0.202 0.000 0.511) 0.550 10.484 ( 0.535 0.000 -0.912) 1.057 13.995 ( -0.275 0.000 -0.223) 0.354 14.043 ( 1.819 0.000 -1.045) 2.098 14.502 ( -9.511 0.000 -0.728) 9.539 15.121 ( -8.988 0.000 -11.478) 14.578 16.691 ( 0.809 0.000 0.862) 1.182 16.784 ( 0.555 0.000 -1.567) 1.662 22.296 ( 2.698 0.000 4.265) 5.047 22.522 ( 3.330 0.000 1.880) 3.824 25.111 ( 0.304 0.000 -0.045) 0.307 25.128 ( 0.150 0.000 0.256) 0.297 25.799 ( -0.141 0.000 0.754) 0.767 25.841 ( -0.115 0.000 -0.660) 0.670 39.623 ( 4.275 0.000 9.101) 10.055 40.185 ( 5.260 0.000 2.287) 5.736 42.523 ( -0.461 0.000 -0.873) 0.988 42.552 ( -0.336 0.000 0.663) 0.743 48.448 ( 9.316 0.000 -7.645) 12.051 48.454 ( 4.006 0.000 7.081) 8.135 49.178 ( 10.193 0.000 2.004) 10.388 49.291 ( 17.633 0.000 -1.658) 17.711 ======================= Grid point 274 (124/180) ======================= q-point: (-0.07 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -15.104 0.000 13.887) 20.518 1.250 ( -27.399 0.000 17.392) 32.453 1.395 ( -10.847 0.000 -9.853) 14.654 1.696 ( -6.218 0.000 -12.585) 14.037 1.900 ( 4.494 0.000 39.649) 39.903 2.646 ( -6.429 0.000 -5.603) 8.528 3.010 ( -8.967 0.000 5.323) 10.428 3.398 ( -9.146 0.000 -15.397) 17.909 3.730 ( 0.124 0.000 -1.608) 1.613 3.772 ( -8.678 0.000 5.507) 10.278 4.000 ( 1.440 0.000 -10.876) 10.971 4.173 ( -6.958 0.000 -4.541) 8.309 4.274 ( -3.244 0.000 0.962) 3.383 4.459 ( -1.339 0.000 -3.498) 3.745 4.569 ( -1.055 0.000 -7.595) 7.668 4.717 ( -12.985 0.000 5.749) 14.200 4.720 ( -17.275 0.000 -8.425) 19.220 4.983 ( -12.968 0.000 -4.728) 13.803 6.038 ( 2.189 0.000 10.514) 10.739 6.368 ( -0.736 0.000 -9.299) 9.328 6.670 ( 1.502 0.000 3.029) 3.381 6.830 ( -2.361 0.000 -3.519) 4.237 7.468 ( 14.349 0.000 10.093) 17.543 7.621 ( 14.257 0.000 4.549) 14.965 7.805 ( -0.631 0.000 7.820) 7.846 8.307 ( -0.036 0.000 -6.772) 6.772 10.417 ( 0.169 0.000 1.035) 1.049 10.486 ( -0.308 0.000 -2.350) 2.370 13.991 ( 0.187 0.000 -0.071) 0.200 14.076 ( 0.756 0.000 -0.491) 0.902 14.336 ( -4.860 0.000 -1.777) 5.175 14.797 ( -20.739 0.000 -12.918) 24.433 16.719 ( 1.642 0.000 2.085) 2.654 16.794 ( 0.385 0.000 -1.853) 1.892 22.410 ( 8.221 0.000 4.859) 9.549 22.574 ( 1.059 0.000 2.989) 3.171 25.118 ( 0.341 0.000 -0.144) 0.370 25.129 ( -0.104 0.000 0.236) 0.258 25.800 ( 0.140 0.000 1.047) 1.056 25.836 ( -0.227 0.000 -0.979) 1.005 39.820 ( 14.644 0.000 11.401) 18.559 40.252 ( 0.246 0.000 3.288) 3.298 42.515 ( -0.059 0.000 -0.775) 0.777 42.539 ( -1.002 0.000 0.670) 1.206 48.521 ( 1.696 0.000 7.218) 7.414 48.606 ( 6.362 0.000 -8.626) 10.718 49.375 ( 8.240 0.000 4.342) 9.314 49.599 ( 10.634 0.000 -5.822) 12.123 ======================= Grid point 275 (125/180) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -4.954 11.164 17.663) 21.475 1.314 ( 5.134 4.297 -16.841) 18.123 1.558 ( -1.425 32.455 20.110) 38.207 1.943 ( 0.166 25.337 -16.596) 30.289 2.344 ( 11.307 22.949 30.829) 40.062 2.727 ( 3.702 8.056 -5.028) 10.192 2.902 ( -3.661 3.015 5.661) 7.385 3.173 ( -7.412 -0.990 -21.451) 22.717 3.654 ( -2.246 -4.132 6.467) 7.996 3.757 ( 4.791 -6.015 -2.622) 8.124 3.935 ( -0.405 3.009 0.144) 3.039 4.018 ( -6.863 4.944 -6.149) 10.458 4.262 ( -0.017 -0.476 5.317) 5.338 4.376 ( 1.183 0.864 -5.622) 5.809 4.572 ( -4.383 4.317 4.607) 7.686 4.653 ( 4.473 1.878 -1.849) 5.192 4.715 ( -1.470 2.259 -1.325) 3.003 4.774 ( -1.633 4.282 -5.587) 7.226 6.080 ( 4.026 -1.299 10.611) 11.423 6.279 ( -3.413 -4.220 -9.318) 10.783 6.667 ( 1.318 -4.089 2.701) 5.075 6.729 ( 0.251 -7.315 -2.835) 7.850 7.417 ( 1.381 -12.994 7.570) 15.102 7.478 ( -0.013 -10.452 0.303) 10.457 8.131 ( 5.263 8.300 15.839) 18.641 8.489 ( -5.665 10.957 -21.550) 24.830 10.426 ( 0.492 0.207 1.832) 1.908 10.470 ( -0.743 0.157 -2.556) 2.666 14.015 ( 2.036 -0.623 1.020) 2.361 14.035 ( -2.048 -0.690 -1.034) 2.396 14.353 ( -3.436 -1.277 1.364) 3.911 14.371 ( -0.453 -0.789 -0.637) 1.111 16.743 ( 0.605 -0.042 2.352) 2.429 16.790 ( -0.059 -0.206 -2.168) 2.178 22.494 ( 2.438 -4.570 3.943) 6.509 22.551 ( 0.275 -3.089 -2.048) 3.716 25.123 ( -0.411 -0.012 0.117) 0.428 25.125 ( 0.400 -0.019 -0.118) 0.417 25.807 ( 0.649 0.194 1.200) 1.378 25.830 ( -0.829 -0.082 -1.086) 1.369 39.986 ( 6.699 -10.895 9.030) 15.656 40.121 ( -2.419 -7.336 -5.521) 9.494 42.519 ( -1.055 0.207 0.390) 1.143 42.526 ( 1.035 0.127 -0.378) 1.109 48.620 ( -0.891 6.828 8.053) 10.596 48.802 ( 1.330 5.782 -10.549) 12.103 49.787 ( 1.712 23.619 11.127) 26.165 50.086 ( -4.739 34.552 -22.007) 41.238 ======================= Grid point 276 (126/180) ======================= q-point: ( 0.07 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 8.413 14.425 16.539) 23.503 1.377 ( -3.525 15.829 -1.790) 16.316 1.612 ( 18.848 5.683 -6.235) 20.650 2.150 ( 14.480 19.286 -5.145) 24.659 2.615 ( 11.590 19.813 9.232) 24.741 2.806 ( 0.337 14.142 -19.991) 24.490 2.943 ( 10.064 -2.485 15.000) 18.233 3.134 ( 5.900 5.669 -3.636) 8.954 3.647 ( 3.891 -3.347 3.139) 6.017 3.777 ( 0.856 -3.702 -4.070) 5.567 4.013 ( 4.148 5.785 5.121) 8.769 4.100 ( 9.031 3.550 -0.920) 9.747 4.186 ( 0.767 -4.532 1.540) 4.848 4.476 ( -3.710 1.043 5.037) 6.342 4.527 ( 2.701 3.292 -2.846) 5.122 4.711 ( 12.200 3.333 -2.808) 12.955 4.820 ( 9.846 2.335 -0.938) 10.163 4.936 ( 10.283 1.627 0.910) 10.451 6.147 ( -0.730 -1.956 0.558) 2.161 6.216 ( 0.525 -2.911 -0.810) 3.067 6.712 ( 2.842 -4.121 2.133) 5.441 6.741 ( 0.930 -3.935 -4.966) 6.403 7.331 ( -6.446 -8.295 3.784) 11.165 7.561 ( 3.770 -17.872 0.323) 18.268 7.944 ( -18.883 12.531 1.059) 22.688 8.419 ( -1.801 6.540 -3.533) 7.649 10.430 ( -0.379 -0.380 0.727) 0.904 10.463 ( 0.416 1.007 -0.787) 1.344 13.985 ( -1.308 -0.768 -0.357) 1.559 14.051 ( -0.909 -0.408 1.348) 1.676 14.318 ( 6.390 -0.232 -0.256) 6.400 14.588 ( 13.124 -2.674 4.593) 14.159 16.730 ( -1.402 -0.352 0.232) 1.464 16.796 ( 0.246 1.137 -1.113) 1.610 22.449 ( -4.009 -1.542 -1.773) 4.647 22.570 ( -0.711 -5.059 -0.873) 5.183 25.115 ( -0.276 -0.079 0.021) 0.288 25.132 ( 0.148 -0.036 -0.046) 0.159 25.801 ( -0.884 -0.715 -0.043) 1.138 25.832 ( 0.677 0.458 0.463) 0.939 39.927 ( -7.383 -5.101 -4.224) 9.918 40.144 ( 0.267 -12.388 0.579) 12.404 42.504 ( -0.296 0.078 0.283) 0.417 42.548 ( 0.882 0.065 -0.107) 0.891 48.561 ( -5.476 7.634 7.278) 11.885 48.773 ( -3.036 4.600 -10.214) 11.606 49.678 ( -12.652 22.196 5.299) 26.093 49.845 ( -14.287 32.668 -5.171) 36.028 ======================= Grid point 277 (127/180) ======================= q-point: ( 0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 5.449 -0.583 5.528) 7.784 1.593 ( 20.411 5.608 4.215) 21.583 2.061 ( 22.285 6.480 -11.378) 25.847 2.371 ( 5.115 9.125 -18.481) 21.236 2.755 ( 9.734 9.863 -4.332) 14.519 2.982 ( 14.755 16.053 0.491) 21.809 3.221 ( 13.199 2.275 9.550) 16.450 3.319 ( 10.630 10.402 5.214) 15.760 3.829 ( 11.314 -0.653 0.647) 11.351 3.871 ( 9.107 -4.872 -4.491) 11.262 4.119 ( 6.758 4.997 5.365) 9.971 4.150 ( 2.319 -1.865 7.265) 7.851 4.318 ( -1.649 4.164 4.198) 6.138 4.440 ( 8.498 -1.180 -1.750) 8.756 4.699 ( 10.787 2.379 -5.068) 12.153 4.985 ( 12.404 1.910 0.461) 12.559 5.023 ( 9.574 1.210 1.896) 9.835 5.166 ( 11.431 0.600 3.126) 11.866 6.065 ( -4.438 -5.583 -9.111) 11.571 6.295 ( 4.729 1.580 7.897) 9.340 6.736 ( -1.488 0.731 -6.476) 6.685 6.790 ( 4.525 -4.057 2.203) 6.464 7.190 ( -7.226 -4.594 3.367) 9.201 7.455 ( -14.711 -5.886 -4.241) 16.403 7.729 ( 1.400 -2.508 -0.683) 2.953 8.322 ( -7.090 1.688 0.549) 7.309 10.419 ( -0.523 -0.782 -0.261) 0.976 10.476 ( 0.631 1.378 0.491) 1.593 13.971 ( -0.331 -1.077 0.408) 1.199 14.024 ( -1.153 0.401 1.227) 1.730 14.506 ( 10.104 -1.815 -2.681) 10.610 14.862 ( 11.767 -3.923 7.202) 14.343 16.703 ( -0.961 -0.358 -1.008) 1.438 16.791 ( -0.494 2.279 0.004) 2.332 22.369 ( -3.172 -0.492 -3.416) 4.688 22.517 ( -3.820 -2.925 0.150) 4.814 25.111 ( -0.174 -0.169 -0.146) 0.282 25.131 ( -0.193 -0.013 -0.028) 0.196 25.787 ( -0.359 -1.584 -0.207) 1.638 25.845 ( 0.510 0.965 0.543) 1.219 39.781 ( -5.658 -2.271 -7.171) 9.413 40.088 ( -5.042 -9.084 2.522) 10.691 42.506 ( 0.362 -0.149 0.334) 0.514 42.559 ( 0.245 0.142 0.123) 0.309 48.417 ( -8.675 7.590 5.991) 12.991 48.669 ( -5.910 3.452 -8.983) 11.293 49.375 ( -15.138 18.753 1.078) 24.125 49.508 ( -18.362 25.309 3.790) 31.497 ======================= Grid point 278 (128/180) ======================= q-point: ( 0.21 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 16.799 -16.354 0.145) 23.445 2.054 ( 22.116 5.245 3.915) 23.064 2.294 ( 2.926 9.806 -28.595) 30.371 2.560 ( 16.672 10.591 -4.898) 20.350 3.066 ( 16.676 5.594 4.706) 18.208 3.286 ( 14.433 2.474 -2.140) 14.799 3.471 ( 11.193 0.981 3.180) 11.677 3.581 ( 13.867 13.549 7.021) 20.619 4.028 ( 7.209 -1.470 1.197) 7.454 4.099 ( 9.646 -3.890 -5.707) 11.864 4.236 ( 5.343 -3.685 1.936) 6.773 4.261 ( 5.136 1.179 14.308) 15.247 4.383 ( 10.567 6.936 3.663) 13.160 4.600 ( 6.414 2.874 -0.972) 7.095 4.902 ( 8.202 5.644 -8.472) 13.073 5.162 ( 6.413 -3.291 2.864) 7.756 5.267 ( 12.596 1.899 0.793) 12.763 5.395 ( 9.901 -0.137 5.465) 11.310 5.976 ( -3.024 -4.872 -6.179) 8.430 6.407 ( 5.213 2.306 5.524) 7.938 6.649 ( -6.020 1.998 -7.537) 9.851 6.897 ( 5.065 -2.698 3.293) 6.616 7.048 ( -6.409 -2.629 3.175) 7.621 7.219 ( -6.169 -1.249 -4.003) 7.459 7.778 ( 1.860 -6.752 -3.537) 7.846 8.161 ( -7.739 -3.955 0.640) 8.714 10.411 ( -0.173 -0.990 -0.108) 1.010 10.486 ( 0.270 1.443 0.155) 1.476 13.964 ( -0.532 -0.902 0.960) 1.421 14.010 ( -0.427 0.338 0.497) 0.737 14.699 ( 8.608 -1.720 -2.379) 9.095 15.062 ( 6.905 -3.526 5.765) 9.662 16.690 ( -0.252 0.172 -0.942) 0.991 16.780 ( -0.541 2.207 0.603) 2.351 22.313 ( -2.028 -0.295 -2.961) 3.601 22.432 ( -4.126 -1.382 0.830) 4.430 25.107 ( -0.266 -0.154 -0.263) 0.405 25.125 ( -0.381 0.012 0.036) 0.383 25.786 ( 0.232 -1.771 -0.187) 1.796 25.854 ( 0.356 1.066 0.316) 1.167 39.684 ( -3.214 -1.414 -6.224) 7.146 39.970 ( -6.144 -5.518 3.123) 8.829 42.516 ( 0.520 -0.264 0.383) 0.698 42.561 ( -0.042 0.216 0.100) 0.242 48.230 ( -9.461 6.777 4.353) 12.425 48.524 ( -7.105 2.101 -7.415) 10.482 49.060 ( -16.704 16.760 3.349) 23.898 49.132 ( -16.589 16.919 1.172) 23.724 ======================= Grid point 279 (129/180) ======================= q-point: ( 0.29 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 17.758 -12.763 -3.726) 22.184 2.336 ( 8.704 4.917 -16.600) 19.378 2.537 ( 20.434 7.695 -0.016) 21.835 2.851 ( 11.016 15.151 -1.573) 18.798 3.363 ( 11.443 -4.379 3.765) 12.817 3.574 ( 12.392 -1.299 1.349) 12.533 3.738 ( 15.436 1.983 -2.885) 15.828 3.880 ( 14.112 8.478 2.770) 16.694 4.074 ( -0.999 -0.446 6.149) 6.246 4.227 ( 2.609 -3.964 -7.119) 8.556 4.382 ( 6.334 -2.019 4.460) 8.006 4.414 ( 7.805 -1.511 3.234) 8.583 4.589 ( 7.956 -1.565 5.115) 9.586 4.744 ( 6.589 9.396 1.461) 11.568 5.016 ( 4.667 6.820 -4.571) 9.444 5.297 ( 6.778 -6.295 -2.143) 9.495 5.513 ( 9.953 2.118 1.971) 10.365 5.557 ( 5.251 0.254 2.704) 5.912 5.959 ( 2.633 -3.554 0.932) 4.520 6.476 ( -1.465 2.864 -5.457) 6.335 6.557 ( 1.556 0.368 1.093) 1.937 6.883 ( -6.146 1.312 6.458) 9.012 7.049 ( 5.440 -4.380 -0.801) 7.030 7.169 ( 0.441 -0.609 -2.045) 2.179 7.768 ( -2.488 -3.703 -5.904) 7.400 8.037 ( -3.981 -7.967 1.525) 9.036 10.412 ( 0.198 -1.064 0.188) 1.098 10.488 ( -0.052 1.356 -0.420) 1.420 13.952 ( -0.633 -0.441 1.022) 1.281 14.004 ( -0.263 0.062 -0.001) 0.270 14.854 ( 6.570 -1.006 -0.997) 6.721 15.163 ( 2.747 -2.335 2.855) 4.599 16.688 ( 0.100 0.750 -0.498) 0.906 16.771 ( -0.425 1.601 0.731) 1.810 22.275 ( -1.567 -0.543 -2.066) 2.649 22.354 ( -3.449 -0.574 1.029) 3.645 25.100 ( -0.314 -0.094 -0.306) 0.448 25.116 ( -0.452 -0.003 0.134) 0.471 25.795 ( 0.661 -1.574 -0.098) 1.710 25.860 ( 0.205 0.939 0.105) 0.967 39.629 ( -1.754 -1.328 -4.425) 4.942 39.851 ( -5.600 -3.308 2.799) 7.081 42.526 ( 0.418 -0.253 0.397) 0.630 42.559 ( -0.116 0.223 -0.055) 0.257 48.049 ( -8.145 5.944 2.732) 10.447 48.367 ( -7.575 1.374 -5.643) 9.545 48.703 ( -16.428 15.732 3.327) 22.988 48.842 ( -12.484 9.723 0.213) 15.825 ======================= Grid point 280 (130/180) ======================= q-point: ( 0.36 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 13.057 -0.405 -6.061) 14.401 2.572 ( 13.521 1.631 -6.435) 15.063 2.915 ( 13.295 8.345 0.066) 15.697 3.041 ( 10.610 10.097 0.023) 14.647 3.579 ( 9.912 -6.028 -0.698) 11.622 3.761 ( 4.688 -1.272 7.130) 8.627 4.009 ( 3.470 -0.213 -1.862) 3.944 4.101 ( 7.611 -4.797 -4.266) 9.956 4.157 ( 12.650 5.071 -0.937) 13.661 4.200 ( -0.787 2.762 -4.851) 5.637 4.467 ( 0.953 -3.994 9.671) 10.507 4.580 ( 6.966 -4.319 1.508) 8.334 4.673 ( -0.235 2.980 0.697) 3.070 4.847 ( 4.039 1.459 1.680) 4.612 5.122 ( 5.253 1.864 -1.272) 5.717 5.400 ( 1.238 -8.249 -4.314) 9.391 5.589 ( 3.197 2.283 2.759) 4.800 5.725 ( 7.750 3.122 -0.458) 8.368 6.087 ( 8.098 -2.258 5.915) 10.280 6.437 ( -0.025 2.620 -6.971) 7.447 6.634 ( 3.749 1.851 2.401) 4.822 6.765 ( -5.450 0.465 6.343) 8.376 7.147 ( 3.471 -3.006 -2.463) 5.210 7.199 ( 2.061 -0.813 -0.521) 2.276 7.699 ( -2.523 -2.829 -4.051) 5.548 7.979 ( -2.517 -6.399 0.385) 6.887 10.419 ( 0.425 -0.870 0.544) 1.111 10.484 ( -0.281 1.013 -0.942) 1.412 13.942 ( -0.285 -0.131 0.928) 0.979 13.996 ( -0.448 0.007 -0.348) 0.568 14.970 ( 4.698 -0.408 0.372) 4.730 15.192 ( 0.228 -1.276 0.530) 1.400 16.693 ( 0.383 1.080 -0.158) 1.156 16.762 ( -0.568 1.157 0.549) 1.401 22.245 ( -1.140 -0.796 -1.299) 1.902 22.292 ( -2.637 -0.183 0.880) 2.786 25.094 ( -0.211 -0.049 -0.287) 0.359 25.107 ( -0.456 -0.027 0.187) 0.493 25.811 ( 0.857 -1.212 0.024) 1.485 25.862 ( -0.023 0.620 -0.052) 0.623 39.601 ( -0.647 -1.354 -2.860) 3.230 39.747 ( -4.619 -2.115 2.100) 5.498 42.534 ( 0.275 -0.173 0.403) 0.518 42.557 ( -0.130 0.185 -0.204) 0.305 47.911 ( -5.188 5.608 1.473) 7.781 48.191 ( -9.187 3.873 -2.822) 10.362 48.436 ( -8.954 9.695 1.034) 13.238 48.607 ( -10.186 6.756 0.541) 12.235 ======================= Grid point 281 (131/180) ======================= q-point: ( 0.43 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 11.359 5.206 -2.295) 12.705 2.754 ( 1.988 7.450 -6.892) 10.342 3.093 ( 8.543 4.605 6.499) 11.680 3.333 ( 13.832 5.725 -3.646) 15.408 3.721 ( -0.728 -1.399 2.747) 3.168 3.823 ( 3.638 -5.652 1.450) 6.877 3.916 ( -4.034 -0.283 -10.482) 11.235 4.231 ( -2.309 -3.610 0.290) 4.295 4.281 ( 9.219 -0.461 6.139) 11.086 4.384 ( 7.061 3.676 -1.608) 8.121 4.441 ( -0.137 1.379 3.524) 3.786 4.650 ( -1.736 -1.328 -0.356) 2.215 4.706 ( 5.162 -4.189 1.741) 6.872 4.890 ( -0.405 -4.662 -0.581) 4.716 5.213 ( 3.610 -2.128 -2.642) 4.954 5.350 ( -3.290 -7.770 -2.183) 8.715 5.698 ( 5.002 1.790 3.885) 6.582 5.837 ( 3.124 0.510 -1.622) 3.557 6.251 ( 6.357 0.804 5.653) 8.545 6.452 ( 1.235 3.785 -5.305) 6.633 6.670 ( -2.160 -0.902 5.249) 5.747 6.710 ( 1.548 2.783 2.368) 3.968 7.187 ( 1.001 -2.401 -2.867) 3.872 7.229 ( 0.464 -1.066 -1.346) 1.778 7.690 ( 1.997 -1.672 0.083) 2.606 7.915 ( -3.734 -4.110 -1.593) 5.777 10.428 ( 0.325 -0.348 1.228) 1.317 10.476 ( -0.306 0.378 -1.592) 1.664 13.943 ( 0.225 0.055 0.921) 0.950 13.985 ( -0.615 0.039 -0.653) 0.898 15.052 ( 3.231 -0.122 1.358) 3.507 15.181 ( -1.174 -0.633 -0.898) 1.608 16.705 ( 0.779 1.187 0.085) 1.423 16.748 ( -0.856 1.002 0.214) 1.335 22.227 ( -0.435 -0.818 -0.468) 1.038 22.248 ( -1.661 -0.116 0.319) 1.696 25.092 ( 0.008 -0.038 -0.224) 0.227 25.098 ( -0.393 -0.028 0.172) 0.430 25.829 ( 0.812 -0.767 0.157) 1.128 25.859 ( -0.312 0.148 -0.183) 0.391 39.599 ( 0.639 -1.376 -1.690) 2.271 39.665 ( -3.472 -1.514 1.362) 4.025 42.539 ( 0.180 -0.061 0.421) 0.462 42.554 ( -0.128 0.112 -0.315) 0.358 47.845 ( -1.109 5.873 0.775) 6.027 48.004 ( -7.931 6.442 -0.810) 10.250 48.329 ( -1.962 4.687 -0.567) 5.113 48.429 ( -6.946 4.829 0.687) 8.487 ======================= Grid point 282 (132/180) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 8.193 7.038 1.916) 10.969 2.658 ( -8.828 8.402 -9.454) 15.424 3.281 ( 6.654 3.908 9.778) 12.456 3.464 ( -4.299 5.420 -8.734) 11.142 3.635 ( -5.018 0.490 5.965) 7.810 3.755 ( 0.050 -3.663 -5.770) 6.835 4.056 ( -10.477 -1.838 1.428) 10.733 4.085 ( 11.475 -5.163 -0.814) 12.609 4.415 ( -1.324 3.346 3.897) 5.304 4.481 ( -0.903 2.743 -0.875) 3.018 4.488 ( 7.727 -2.273 4.956) 9.457 4.590 ( -2.556 -3.226 -5.295) 6.706 4.757 ( -2.875 -2.577 6.233) 7.332 4.865 ( 0.583 -6.421 -5.625) 8.556 5.251 ( 0.497 -7.320 1.438) 7.477 5.329 ( 1.698 -5.222 -7.651) 9.418 5.752 ( -0.863 -1.106 7.400) 7.532 5.864 ( 0.088 1.616 -4.011) 4.325 6.332 ( 0.558 2.164 6.997) 7.345 6.447 ( -1.407 3.718 -5.429) 6.729 6.655 ( 0.008 2.084 6.718) 7.034 6.747 ( 2.121 -0.101 -2.001) 2.918 7.193 ( -0.245 -1.380 -0.293) 1.432 7.214 ( -1.467 -1.119 -2.240) 2.902 7.767 ( 4.493 -1.663 2.416) 5.365 7.827 ( -4.037 -3.080 -3.550) 6.196 10.431 ( -0.224 0.133 1.933) 1.951 10.471 ( 0.056 -0.152 -2.057) 2.063 13.953 ( 0.604 0.137 0.995) 1.172 13.971 ( -0.549 0.034 -0.892) 1.048 15.109 ( 2.176 -0.196 1.981) 2.949 15.145 ( -2.111 -0.295 -1.719) 2.738 16.725 ( 1.060 1.164 0.232) 1.591 16.728 ( -0.939 1.009 -0.129) 1.384 22.216 ( -0.719 -0.384 1.019) 1.305 22.237 ( 0.693 -0.529 -1.072) 1.381 25.091 ( -0.245 -0.012 0.131) 0.278 25.094 ( 0.239 -0.050 -0.161) 0.292 25.843 ( 0.227 -0.306 0.397) 0.550 25.851 ( -0.236 -0.341 -0.408) 0.582 39.605 ( -2.114 -1.351 1.093) 2.737 39.628 ( 2.016 -1.342 -1.191) 2.698 42.542 ( 0.127 0.045 0.450) 0.469 42.551 ( -0.108 0.017 -0.397) 0.411 47.867 ( 2.451 6.379 1.000) 6.906 47.886 ( -2.506 6.425 -0.926) 6.958 48.327 ( -2.277 3.811 0.610) 4.481 48.340 ( 2.335 3.841 -0.635) 4.540 ======================= Grid point 283 (133/180) ======================= q-point: (-0.43 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -14.397 7.054 -8.513) 18.152 2.647 ( -0.434 7.669 3.307) 8.363 3.212 ( -12.842 1.238 -3.245) 13.303 3.298 ( -8.569 5.611 -1.731) 10.387 3.642 ( 5.428 -1.459 11.794) 13.065 3.711 ( -7.113 -6.325 2.445) 9.827 3.943 ( 0.319 3.568 -5.441) 6.514 4.211 ( -3.348 -4.857 1.861) 6.186 4.325 ( -7.891 3.315 3.319) 9.180 4.394 ( -6.042 -0.345 -4.781) 7.713 4.550 ( 3.910 0.071 -1.291) 4.118 4.613 ( 1.080 -3.066 -1.436) 3.554 4.661 ( -5.160 -2.560 5.128) 7.712 4.892 ( 1.448 1.066 -0.131) 1.803 5.273 ( 1.456 -9.318 -4.392) 10.403 5.351 ( 0.355 -6.158 -5.505) 8.268 5.686 ( -5.270 -1.868 5.216) 7.646 5.823 ( -4.191 4.553 -0.360) 6.199 6.304 ( -3.139 -3.065 2.792) 5.201 6.385 ( -4.026 8.461 -1.105) 9.435 6.658 ( -0.388 3.067 4.427) 5.400 6.807 ( 3.679 -1.551 -4.031) 5.674 7.154 ( -3.095 -1.813 -0.018) 3.587 7.194 ( -0.774 -0.147 1.409) 1.615 7.731 ( -3.607 -3.704 -3.715) 6.366 7.881 ( 5.013 -3.133 1.690) 6.148 10.425 ( -0.473 -0.239 1.545) 1.634 10.473 ( 0.181 0.234 -1.307) 1.340 13.961 ( -0.144 -0.094 -0.720) 0.740 13.969 ( 0.700 0.157 0.726) 1.021 15.085 ( -3.448 -0.311 -1.885) 3.942 15.152 ( 1.603 -0.516 2.007) 2.620 16.710 ( -0.755 1.004 -0.372) 1.311 16.748 ( 1.087 1.128 0.199) 1.579 22.211 ( 0.151 -0.414 0.845) 0.953 22.263 ( 1.833 -0.484 -0.850) 2.078 25.089 ( -0.027 0.009 0.096) 0.100 25.101 ( 0.391 -0.072 -0.115) 0.414 25.832 ( -0.848 -0.835 -0.055) 1.192 25.856 ( 0.328 0.207 0.065) 0.393 39.571 ( -1.136 -1.161 0.927) 1.870 39.687 ( 3.677 -1.648 -0.814) 4.110 42.544 ( -0.007 -0.013 0.232) 0.232 42.549 ( 0.002 0.048 -0.210) 0.215 47.865 ( 1.709 5.527 -1.125) 5.894 47.978 ( 6.627 6.779 1.631) 9.619 48.328 ( 2.975 4.859 -0.394) 5.711 48.437 ( 6.659 4.679 -0.057) 8.139 ======================= Grid point 284 (134/180) ======================= q-point: (-0.36 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -17.055 5.095 -4.770) 18.428 2.475 ( -15.919 1.631 3.810) 16.450 2.952 ( -12.564 3.664 -4.222) 13.752 3.076 ( -11.216 9.455 -3.055) 14.985 3.555 ( -6.685 -6.321 1.290) 9.290 3.786 ( 3.935 -4.509 11.113) 12.622 3.926 ( -2.076 1.632 -1.821) 3.207 3.972 ( -17.328 -1.885 4.201) 17.929 4.156 ( -8.501 4.173 -0.257) 9.473 4.254 ( -4.290 1.164 -4.587) 6.388 4.504 ( -9.191 -2.774 6.487) 11.586 4.572 ( -4.964 -0.054 1.455) 5.173 4.715 ( 7.852 1.369 -5.537) 9.705 4.887 ( -2.894 7.992 -0.423) 8.510 5.231 ( -7.082 -5.712 -11.102) 14.354 5.341 ( -0.663 -10.268 1.016) 10.340 5.596 ( -2.309 -1.596 3.130) 4.204 5.697 ( -7.709 5.146 1.917) 9.465 6.198 ( -6.861 -4.107 -5.376) 9.635 6.323 ( -1.522 6.766 4.956) 8.524 6.640 ( -1.783 2.872 2.250) 4.061 6.882 ( 4.121 -0.350 -5.306) 6.727 7.086 ( -3.514 -2.501 2.568) 5.019 7.171 ( -1.710 0.587 2.551) 3.127 7.680 ( -0.681 -3.462 -2.366) 4.248 7.974 ( 3.833 -6.720 0.805) 7.778 10.417 ( -0.318 -0.960 0.785) 1.280 10.474 ( 0.067 0.990 -0.215) 1.016 13.962 ( 0.308 -0.357 -0.909) 1.024 13.985 ( 0.728 0.155 0.766) 1.068 14.994 ( -5.268 -0.338 -1.968) 5.633 15.180 ( 0.893 -1.576 1.822) 2.569 16.698 ( -0.400 0.980 -0.529) 1.184 16.768 ( 0.828 1.087 -0.024) 1.367 22.222 ( 0.852 -0.383 0.790) 1.223 22.308 ( 2.587 -0.482 -0.665) 2.714 25.090 ( 0.203 0.015 0.079) 0.218 25.109 ( 0.420 -0.079 -0.081) 0.435 25.813 ( -0.942 -1.249 -0.089) 1.567 25.860 ( 0.086 0.644 0.138) 0.664 39.559 ( -0.278 -1.009 1.274) 1.649 39.775 ( 4.900 -2.182 -0.752) 5.416 42.542 ( -0.212 -0.271 -0.306) 0.460 42.551 ( 0.140 0.239 0.299) 0.408 47.947 ( 6.171 5.075 -1.921) 8.218 48.126 ( 7.034 5.238 3.208) 9.339 48.465 ( 10.637 9.106 -1.678) 14.102 48.608 ( 9.782 6.541 0.468) 11.777 ======================= Grid point 285 (135/180) ======================= q-point: (-0.29 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -18.140 -1.894 1.586) 18.308 2.098 ( -18.628 2.226 7.851) 20.337 2.635 ( -17.357 4.261 -9.699) 20.335 2.830 ( -13.636 11.942 0.677) 18.139 3.424 ( -7.765 -1.587 -3.097) 8.509 3.551 ( -19.745 2.518 2.865) 20.110 3.706 ( -10.198 -1.497 1.126) 10.369 3.936 ( -6.327 5.291 0.960) 8.304 4.015 ( 0.838 -5.587 6.615) 8.699 4.185 ( -5.602 0.124 -1.786) 5.882 4.310 ( -8.017 -2.297 7.351) 11.117 4.442 ( -6.607 5.518 1.527) 8.742 4.748 ( -7.561 11.525 -2.944) 14.095 4.818 ( -1.683 0.390 -7.669) 7.861 4.982 ( -13.089 -0.542 -3.207) 13.487 5.315 ( -1.940 -8.372 -3.814) 9.402 5.514 ( -9.420 1.672 0.631) 9.588 5.592 ( -0.845 -2.342 1.193) 2.761 6.040 ( -7.167 -3.820 -6.353) 10.311 6.332 ( 1.943 4.201 6.736) 8.173 6.595 ( -2.259 1.489 -0.324) 2.725 6.976 ( 5.535 0.909 -3.537) 6.631 7.007 ( -4.508 -3.348 2.992) 6.362 7.131 ( -2.028 1.064 2.254) 3.213 7.697 ( 1.836 -1.431 0.564) 2.395 8.051 ( 4.167 -9.782 -0.075) 10.633 10.413 ( -0.206 -1.357 0.153) 1.381 10.477 ( 0.168 1.384 0.563) 1.503 13.971 ( 0.563 -0.746 -0.742) 1.193 14.001 ( 0.768 0.211 0.298) 0.850 14.861 ( -7.381 -0.506 -1.614) 7.572 15.187 ( -0.529 -3.539 0.626) 3.633 16.691 ( -0.205 0.854 -0.685) 1.114 16.782 ( 0.571 1.125 -0.313) 1.300 22.243 ( 1.009 -0.157 0.935) 1.385 22.367 ( 3.135 -0.638 -0.328) 3.216 25.096 ( 0.345 -0.006 0.057) 0.350 25.117 ( 0.350 -0.056 -0.012) 0.355 25.794 ( -0.789 -1.525 0.001) 1.717 25.860 ( -0.075 0.899 0.103) 0.908 39.560 ( 0.247 -0.677 2.242) 2.355 39.885 ( 5.682 -3.120 -0.712) 6.521 42.536 ( -0.360 -0.422 -0.479) 0.733 42.554 ( 0.155 0.289 0.430) 0.541 48.107 ( 9.198 4.907 -2.310) 10.678 48.271 ( 6.875 4.393 3.125) 8.737 48.755 ( 17.037 14.292 -1.786) 22.309 48.835 ( 11.933 9.215 0.980) 15.109 ======================= Grid point 286 (136/180) ======================= q-point: (-0.21 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -16.326 -10.632 5.907) 20.358 1.798 ( -10.805 11.737 19.814) 25.438 2.233 ( -20.117 4.329 -14.171) 24.985 2.492 ( -19.131 8.040 2.918) 20.956 3.073 ( -21.116 15.516 1.434) 26.243 3.285 ( -11.226 4.120 -2.133) 12.147 3.483 ( -10.945 1.509 0.783) 11.076 3.769 ( -7.360 2.240 -9.411) 12.156 3.974 ( -9.978 -3.385 5.471) 11.872 4.009 ( -7.365 -0.842 4.929) 8.902 4.199 ( -4.774 -6.023 5.452) 9.423 4.364 ( -1.419 8.198 1.480) 8.450 4.557 ( -12.440 9.345 5.934) 16.652 4.590 ( -10.145 -1.727 -15.334) 18.467 4.844 ( -4.664 3.495 -3.379) 6.737 5.236 ( -6.304 -3.004 -3.689) 7.898 5.303 ( -10.502 -1.516 -3.505) 11.175 5.499 ( -8.628 -2.683 -3.919) 9.849 5.934 ( -2.117 -3.617 -1.802) 4.562 6.395 ( 2.087 2.019 7.773) 8.298 6.571 ( 0.765 0.024 -1.092) 1.334 6.907 ( -5.082 -5.351 1.760) 7.587 7.076 ( 2.134 0.704 1.483) 2.692 7.153 ( 6.907 1.715 1.378) 7.249 7.724 ( 0.185 -1.270 1.238) 1.783 8.170 ( 7.655 -6.644 -0.274) 10.140 10.409 ( -0.126 -1.080 0.100) 1.091 10.483 ( 0.337 1.035 0.482) 1.190 13.980 ( 0.257 -1.039 -0.515) 1.188 14.019 ( 1.103 0.192 -0.369) 1.179 14.688 ( -9.123 -0.718 -1.083) 9.216 15.147 ( -3.755 -6.516 -2.266) 7.854 16.687 ( -0.165 0.512 -0.700) 0.883 16.792 ( 0.469 1.230 -0.466) 1.397 22.264 ( 0.970 0.162 1.700) 1.964 22.436 ( 3.467 -0.956 0.288) 3.608 25.104 ( 0.352 -0.044 0.001) 0.355 25.124 ( 0.252 -0.015 0.124) 0.281 25.782 ( -0.380 -1.612 0.181) 1.666 25.858 ( -0.134 0.997 -0.035) 1.006 39.575 ( 1.016 -0.077 4.301) 4.420 40.004 ( 5.742 -4.566 -0.452) 7.350 42.526 ( -0.469 -0.511 -0.593) 0.912 42.557 ( 0.042 0.278 0.494) 0.569 48.306 ( 9.635 4.440 -0.419) 10.617 48.421 ( 7.625 5.923 0.146) 9.656 49.090 ( 13.238 12.776 0.290) 18.400 49.152 ( 20.567 19.358 -0.670) 28.252 ======================= Grid point 287 (137/180) ======================= q-point: (-0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -4.563 -1.178 9.628) 10.719 1.657 ( -8.422 12.284 26.232) 30.166 1.806 ( -18.474 5.615 -14.964) 24.429 2.104 ( -15.199 7.414 8.045) 18.727 2.652 ( -19.709 25.495 2.258) 32.304 3.010 ( -14.091 11.910 -1.960) 18.554 3.266 ( -10.292 5.821 1.268) 11.892 3.595 ( -8.943 -0.970 -15.011) 17.500 3.791 ( -8.389 -6.140 3.134) 10.858 3.821 ( -8.391 0.333 2.049) 8.644 4.103 ( -4.287 -1.375 4.976) 6.711 4.284 ( -4.601 1.983 -4.079) 6.461 4.355 ( -9.960 0.767 4.621) 11.006 4.480 ( 1.041 3.697 -9.431) 10.183 4.718 ( -6.614 2.598 -5.620) 9.059 5.022 ( -13.024 2.115 0.980) 13.231 5.072 ( -12.926 -2.599 -6.951) 14.905 5.268 ( -12.208 -0.610 -7.573) 14.380 5.933 ( 1.411 -4.314 4.042) 6.078 6.397 ( -1.631 0.014 -0.404) 1.681 6.617 ( 2.207 -1.677 3.398) 4.386 6.811 ( -4.060 -7.055 0.427) 8.151 7.148 ( 5.486 -1.021 7.000) 8.952 7.366 ( 11.905 -2.403 4.063) 12.807 7.718 ( 0.394 0.728 0.183) 0.848 8.356 ( 9.822 1.620 -2.462) 10.254 10.409 ( 0.107 -0.548 0.533) 0.772 10.489 ( 0.160 0.426 -0.410) 0.613 13.981 ( -0.047 -0.995 -0.541) 1.133 14.045 ( 1.413 -0.154 -0.619) 1.550 14.493 ( -9.310 -0.665 -1.005) 9.388 15.002 ( -10.542 -9.351 -6.490) 15.514 16.687 ( 0.428 -0.048 0.070) 0.437 16.800 ( 0.256 1.141 -0.486) 1.266 22.296 ( 2.222 0.078 3.652) 4.276 22.506 ( 3.042 -1.468 1.015) 3.527 25.111 ( 0.310 -0.060 -0.090) 0.329 25.128 ( 0.147 0.001 0.252) 0.291 25.780 ( 0.190 -1.388 0.424) 1.464 25.855 ( -0.197 1.001 -0.327) 1.071 39.625 ( 3.833 0.121 7.944) 8.821 40.111 ( 4.284 -6.395 -0.091) 7.698 42.516 ( -0.378 -0.443 -0.664) 0.884 42.555 ( -0.360 0.226 0.557) 0.701 48.479 ( 6.603 4.007 5.306) 9.371 48.588 ( 8.527 7.912 -6.484) 13.318 49.366 ( 13.390 17.455 1.724) 22.067 49.595 ( 21.793 25.123 -4.272) 33.531 ======================= Grid point 288 (138/180) ======================= q-point: (-0.07 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -2.821 13.925 16.093) 21.468 1.403 ( -11.203 3.431 -6.923) 13.610 1.507 ( -6.686 15.962 3.871) 17.734 2.033 ( 2.996 14.858 13.055) 20.004 2.280 ( -14.418 32.743 13.175) 38.126 2.768 ( -7.508 11.342 -2.788) 13.885 3.053 ( -10.135 6.555 2.086) 12.249 3.380 ( -9.792 -2.164 -19.383) 21.823 3.668 ( -1.993 -3.546 3.011) 5.061 3.712 ( -2.268 -3.293 0.590) 4.042 4.071 ( -5.934 4.434 0.227) 7.411 4.150 ( -1.517 -6.118 -1.628) 6.510 4.200 ( -5.020 -0.292 -5.683) 7.588 4.534 ( -1.064 5.147 -2.241) 5.713 4.580 ( -2.757 -0.189 -5.488) 6.144 4.739 ( -12.380 2.953 -2.229) 12.921 4.780 ( -11.970 3.880 0.039) 12.583 5.001 ( -12.622 1.052 -6.268) 14.132 5.991 ( 3.457 -3.546 8.587) 9.912 6.349 ( -2.605 -1.907 -6.044) 6.852 6.646 ( 0.658 -3.402 3.386) 4.844 6.747 ( -1.991 -8.122 -0.747) 8.396 7.293 ( 6.994 -5.890 7.709) 11.960 7.517 ( 0.085 -14.215 4.515) 14.915 7.863 ( 14.289 11.364 6.224) 19.289 8.523 ( 5.142 8.147 -11.153) 14.738 10.415 ( 0.377 -0.090 1.158) 1.221 10.486 ( -0.409 0.064 -1.739) 1.788 13.982 ( 0.523 -0.655 -0.180) 0.857 14.069 ( 0.272 -0.869 -0.344) 0.973 14.334 ( -4.499 -0.058 -1.620) 4.782 14.693 ( -17.808 -7.716 -6.175) 20.367 16.710 ( 1.688 -0.487 1.467) 2.289 16.799 ( -0.314 0.543 -0.808) 1.023 22.379 ( 5.523 -1.949 5.244) 7.861 22.552 ( 1.020 -2.075 0.910) 2.485 25.117 ( 0.366 -0.033 -0.160) 0.400 25.129 ( -0.113 -0.021 0.216) 0.245 25.790 ( 0.699 -0.754 0.754) 1.275 25.847 ( -0.539 0.767 -0.797) 1.230 39.771 ( 9.594 -3.285 10.925) 14.906 40.162 ( 0.294 -7.703 -0.929) 7.764 42.513 ( 0.204 -0.119 -0.579) 0.625 42.542 ( -0.995 0.200 0.541) 1.150 48.587 ( 3.186 5.404 7.823) 10.028 48.736 ( 5.948 7.263 -9.644) 13.459 49.631 ( 11.151 22.229 5.687) 25.511 49.989 ( 15.016 30.545 -15.298) 37.317 ======================= Grid point 289 (139/180) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -4.525 11.055 11.625) 16.668 1.431 ( 5.104 7.107 -11.488) 14.441 2.117 ( 4.121 20.722 21.169) 29.908 2.457 ( -3.535 20.779 -10.817) 23.691 2.802 ( -0.407 2.019 3.514) 4.073 2.912 ( -0.322 8.197 -7.567) 11.161 3.159 ( 5.536 25.842 7.893) 27.581 3.370 ( -4.968 20.146 -13.406) 24.703 3.585 ( -5.127 2.028 5.331) 7.670 3.662 ( 5.050 -0.473 -2.252) 5.550 3.996 ( 1.904 2.198 2.448) 3.801 4.075 ( -1.127 1.221 -2.897) 3.340 4.268 ( 2.141 0.929 4.896) 5.423 4.387 ( -2.291 0.661 -5.434) 5.934 4.632 ( -1.887 2.352 6.023) 6.736 4.729 ( -2.449 3.371 4.557) 6.175 4.766 ( -0.813 3.120 -6.277) 7.057 4.857 ( 1.450 2.990 -7.038) 7.783 6.049 ( 6.212 -1.859 7.788) 10.134 6.193 ( -4.885 -3.147 -6.145) 8.457 6.460 ( -0.081 -13.978 4.224) 14.602 6.553 ( 1.146 -6.924 -5.448) 8.885 7.308 ( 0.436 0.088 6.389) 6.404 7.366 ( -0.305 -0.856 0.393) 0.990 8.178 ( 4.316 -4.087 14.928) 16.068 8.526 ( -4.943 -6.662 -20.463) 22.080 10.437 ( 0.432 0.880 2.053) 2.275 10.476 ( -0.331 0.421 -1.746) 1.826 13.997 ( 1.354 -1.053 0.706) 1.855 14.012 ( -1.460 -1.386 -0.785) 2.161 14.328 ( -3.500 -0.969 1.459) 3.914 14.349 ( 2.203 -1.119 -0.798) 2.597 16.749 ( 1.630 0.392 1.946) 2.568 16.789 ( -0.951 0.285 -1.831) 2.083 22.419 ( 2.432 -2.208 4.162) 5.303 22.486 ( -1.347 -2.727 -2.675) 4.050 25.123 ( -0.362 -0.006 0.099) 0.375 25.125 ( 0.350 -0.028 -0.105) 0.366 25.809 ( 1.597 -0.125 1.040) 1.909 25.828 ( -1.810 -0.036 -0.755) 1.961 39.811 ( 2.985 -5.551 8.358) 10.468 39.951 ( -1.938 -7.638 -6.055) 9.938 42.524 ( -0.926 0.299 0.288) 1.015 42.530 ( 0.896 0.187 -0.270) 0.955 48.766 ( 0.067 6.542 6.447) 9.185 48.894 ( 0.113 3.519 -6.477) 7.372 50.334 ( 0.681 25.228 14.977) 29.346 50.724 ( -1.810 22.746 -25.675) 34.350 ======================= Grid point 290 (140/180) ======================= q-point: ( 0.07 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 13.775 10.868 10.370) 20.381 1.679 ( 16.634 7.850 -12.824) 22.423 2.055 ( -9.212 31.850 7.650) 34.027 2.458 ( 5.052 14.010 -2.720) 15.139 2.881 ( 5.382 -0.084 11.429) 12.633 2.938 ( 4.041 7.120 -9.556) 12.583 3.130 ( 1.347 16.699 -5.269) 17.562 3.484 ( 3.382 11.883 0.483) 12.364 3.573 ( 8.235 -1.339 0.290) 8.349 3.754 ( 4.005 5.201 -0.620) 6.594 4.082 ( 1.209 -1.585 3.144) 3.723 4.167 ( 9.020 6.328 -5.701) 12.406 4.257 ( 7.224 12.703 2.925) 14.903 4.481 ( -0.563 -0.141 3.899) 3.941 4.564 ( 0.665 0.171 1.411) 1.569 4.746 ( 8.754 0.054 0.731) 8.785 4.888 ( 9.065 4.180 -1.227) 10.057 4.981 ( 8.498 2.255 -1.732) 8.961 6.082 ( -5.022 -3.356 -9.195) 11.002 6.186 ( 6.073 -0.315 7.904) 9.973 6.496 ( 3.209 -15.201 2.808) 15.787 6.590 ( 2.845 -7.507 -5.728) 9.862 7.274 ( -3.613 1.560 4.333) 5.853 7.356 ( -1.258 -2.810 0.790) 3.178 8.108 ( -12.149 1.578 4.321) 12.990 8.363 ( -7.385 -10.450 -7.156) 14.661 10.430 ( -0.957 0.412 0.595) 1.200 10.485 ( 1.002 1.002 -0.475) 1.495 13.971 ( -1.306 -0.583 -0.381) 1.480 14.026 ( 0.047 -1.747 0.770) 1.909 14.320 ( 4.762 0.442 0.382) 4.798 14.519 ( 10.953 -3.503 1.780) 11.636 16.739 ( -1.525 0.958 -1.187) 2.156 16.806 ( 1.474 -0.002 -0.029) 1.474 22.418 ( -2.512 -1.200 -1.599) 3.210 22.472 ( -0.032 -3.674 0.889) 3.780 25.115 ( -0.357 0.036 0.058) 0.364 25.130 ( 0.135 -0.087 -0.045) 0.166 25.788 ( -1.758 -0.431 -0.469) 1.870 25.840 ( 1.218 0.266 1.099) 1.662 39.809 ( -3.485 -5.225 1.296) 6.413 39.926 ( -0.211 -7.773 -1.237) 7.873 42.508 ( -0.476 0.340 0.143) 0.602 42.549 ( 0.832 0.021 -0.037) 0.833 48.722 ( -4.805 7.065 5.850) 10.355 48.848 ( -3.869 3.052 -6.204) 7.924 50.206 ( -13.661 24.930 10.302) 30.236 50.500 ( -16.265 25.276 -15.413) 33.778 ======================= Grid point 291 (141/180) ======================= q-point: ( 0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.527 28.395 8.946) 29.776 1.787 ( 12.134 16.432 -5.992) 21.287 2.233 ( 22.940 10.677 -5.226) 25.838 2.541 ( 2.320 9.371 -14.303) 17.256 2.980 ( 7.287 11.895 11.230) 17.909 3.120 ( 11.085 2.763 -2.254) 11.644 3.275 ( 9.927 3.502 0.357) 10.533 3.575 ( 6.879 3.845 0.830) 7.924 3.768 ( 10.131 -4.885 -3.938) 11.916 3.868 ( 7.212 2.065 4.171) 8.583 4.082 ( 1.234 -3.911 2.313) 4.708 4.273 ( -0.733 8.090 -1.475) 8.256 4.429 ( 1.455 0.406 4.686) 4.923 4.572 ( 16.642 21.632 3.958) 27.579 4.708 ( 11.436 -1.803 -1.622) 11.691 4.992 ( 12.400 -1.865 -2.479) 12.782 5.059 ( 7.005 2.398 1.409) 7.537 5.186 ( 10.980 1.590 1.735) 11.229 5.973 ( -4.458 -2.733 -9.668) 10.991 6.311 ( 5.409 0.117 7.111) 8.935 6.584 ( 3.975 -13.290 0.364) 13.877 6.654 ( 4.007 -8.153 -5.213) 10.474 7.180 ( -5.712 2.431 2.265) 6.608 7.294 ( -4.873 -3.161 -0.006) 5.809 7.842 ( -10.053 5.686 -1.021) 11.595 8.178 ( -10.743 -14.347 0.939) 17.948 10.411 ( -0.821 0.098 -0.042) 0.828 10.504 ( 0.716 1.089 -0.061) 1.304 13.955 ( -0.398 -0.495 0.104) 0.644 14.016 ( -0.676 -1.096 0.799) 1.516 14.477 ( 9.278 -0.566 -0.691) 9.321 14.761 ( 11.388 -5.111 3.178) 12.881 16.712 ( -0.745 1.049 -1.567) 2.027 16.823 ( 0.208 0.678 -0.024) 0.710 22.359 ( -2.635 -0.378 -2.971) 3.989 22.451 ( -2.120 -2.910 1.396) 3.862 25.109 ( -0.231 -0.007 -0.020) 0.232 25.130 ( -0.158 -0.083 -0.024) 0.180 25.761 ( -0.788 -0.735 -0.214) 1.098 25.861 ( 0.672 0.398 0.801) 1.119 39.723 ( -4.028 -2.830 -2.906) 5.716 39.904 ( -2.171 -7.397 1.817) 7.920 42.506 ( 0.157 0.177 0.097) 0.256 42.562 ( 0.337 0.003 0.119) 0.357 48.586 ( -8.528 7.587 4.749) 12.363 48.731 ( -6.731 2.763 -5.337) 9.024 49.853 ( -19.352 23.939 2.601) 30.892 50.079 ( -22.733 24.946 -3.097) 33.893 ======================= Grid point 292 (142/180) ======================= q-point: ( 0.21 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 3.421 29.499 0.859) 29.709 2.212 ( 21.180 9.492 1.938) 23.290 2.554 ( 3.806 13.381 -21.769) 25.835 2.722 ( 21.777 7.441 -3.816) 23.327 3.178 ( 8.742 5.810 11.344) 15.455 3.348 ( 10.844 3.807 -3.288) 11.954 3.484 ( 10.780 0.037 1.559) 10.892 3.758 ( 10.130 1.780 1.245) 10.360 3.989 ( 10.641 -3.832 -1.456) 11.404 4.048 ( 8.697 -2.340 3.746) 9.754 4.144 ( 2.969 -4.345 -4.693) 7.051 4.246 ( 1.713 1.400 12.903) 13.091 4.472 ( 1.933 0.298 1.276) 2.335 4.867 ( 9.511 16.257 6.342) 19.873 4.982 ( 13.988 1.386 -6.893) 15.656 5.123 ( 1.644 1.803 -0.897) 2.599 5.286 ( 13.959 -0.786 -1.469) 14.058 5.402 ( 9.158 1.261 2.872) 9.680 5.893 ( -2.025 -1.922 -6.610) 7.175 6.427 ( 5.246 -0.598 5.017) 7.284 6.585 ( -3.604 -7.420 -4.911) 9.600 6.776 ( 7.670 -8.058 -0.573) 11.140 7.054 ( -6.294 2.549 3.514) 7.646 7.194 ( -3.459 -0.021 -1.441) 3.747 7.736 ( -1.346 1.577 0.229) 2.086 7.946 ( -10.663 -15.560 -0.414) 18.867 10.398 ( -0.372 -0.149 -0.139) 0.424 10.513 ( 0.172 0.922 -0.235) 0.967 13.949 ( -0.232 -0.423 0.472) 0.674 14.005 ( -0.419 -0.717 0.507) 0.973 14.670 ( 9.034 -0.658 -0.690) 9.084 14.969 ( 8.129 -4.893 2.735) 9.874 16.705 ( 0.116 1.185 -0.947) 1.521 16.818 ( -0.584 1.122 -0.054) 1.266 22.307 ( -2.211 -0.280 -2.365) 3.249 22.397 ( -2.991 -1.799 1.140) 3.671 25.104 ( -0.241 -0.029 -0.121) 0.271 25.124 ( -0.368 -0.055 0.016) 0.373 25.755 ( 0.238 -0.880 -0.100) 0.917 25.871 ( 0.293 0.387 0.409) 0.635 39.648 ( -2.909 -1.784 -3.196) 4.675 39.845 ( -3.578 -5.738 2.105) 7.082 42.513 ( 0.449 0.015 0.125) 0.467 42.565 ( 0.011 0.072 0.118) 0.139 48.396 ( -9.821 7.923 3.610) 13.125 48.572 ( -7.875 2.507 -4.373) 9.350 49.457 ( -18.669 20.230 0.439) 27.531 49.587 ( -24.035 22.325 0.491) 32.807 ======================= Grid point 293 (143/180) ======================= q-point: ( 0.29 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 16.477 16.607 0.892) 23.412 2.520 ( 8.271 11.239 -8.754) 16.473 2.750 ( 17.423 11.276 -7.111) 21.938 3.099 ( 13.125 9.615 -2.457) 16.454 3.337 ( 7.287 1.174 2.720) 7.866 3.543 ( 8.293 -1.142 3.584) 9.106 3.750 ( 14.502 -0.425 -5.048) 15.361 3.970 ( 8.666 -0.912 1.028) 8.774 4.103 ( 0.351 3.218 2.117) 3.868 4.164 ( 5.267 -1.927 -2.405) 6.103 4.274 ( 9.654 -7.802 -0.732) 12.434 4.366 ( 3.931 -1.470 15.314) 15.879 4.537 ( 5.458 -2.740 1.978) 6.419 4.974 ( 0.295 8.472 2.291) 8.781 5.105 ( -0.670 -4.035 -1.611) 4.396 5.211 ( 6.173 2.121 -5.803) 8.734 5.545 ( 8.720 2.650 -2.313) 9.403 5.589 ( 10.629 1.601 0.665) 10.770 5.898 ( 3.311 -1.172 -0.038) 3.512 6.477 ( -2.436 -2.643 -4.367) 5.656 6.552 ( 4.348 -1.269 3.589) 5.779 6.914 ( -3.794 -0.876 3.112) 4.985 6.953 ( 4.991 -2.058 2.476) 5.940 7.165 ( 0.278 0.161 -1.991) 2.017 7.684 ( -5.210 -6.050 -2.428) 8.346 7.822 ( 0.024 -8.875 -0.064) 8.876 10.396 ( 0.171 -0.341 -0.108) 0.397 10.511 ( -0.335 0.629 -0.452) 0.844 13.944 ( -0.262 -0.176 0.594) 0.672 13.999 ( -0.233 -0.488 0.161) 0.564 14.839 ( 7.206 -0.196 -0.063) 7.209 15.098 ( 4.294 -3.557 1.326) 5.731 16.711 ( 0.449 1.368 -0.375) 1.488 16.804 ( -0.724 1.217 0.056) 1.417 22.262 ( -1.914 -0.538 -1.450) 2.461 22.337 ( -2.839 -1.065 0.813) 3.140 25.099 ( -0.272 -0.012 -0.180) 0.326 25.116 ( -0.472 -0.053 0.079) 0.481 25.768 ( 0.889 -0.834 -0.044) 1.220 25.874 ( -0.024 0.246 0.137) 0.283 39.597 ( -1.826 -1.545 -2.525) 3.478 39.767 ( -3.928 -4.183 1.805) 6.015 42.522 ( 0.459 -0.045 0.185) 0.497 42.564 ( -0.122 0.118 0.008) 0.170 48.206 ( -8.466 8.044 2.416) 11.926 48.410 ( -7.269 2.535 -3.252) 8.357 49.082 ( -18.578 17.708 0.884) 25.681 49.124 ( -19.343 16.474 0.171) 25.408 ======================= Grid point 294 (144/180) ======================= q-point: ( 0.36 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 18.778 10.865 1.234) 21.730 2.690 ( 10.430 8.601 -7.061) 15.252 3.109 ( 15.353 9.829 -4.416) 18.757 3.228 ( 2.249 6.493 0.020) 6.871 3.524 ( 9.345 0.772 -1.585) 9.510 3.706 ( 6.827 -3.784 3.123) 8.407 3.977 ( -0.934 -3.350 -4.999) 6.090 4.039 ( 8.827 0.592 -2.335) 9.150 4.224 ( 4.576 -1.437 -3.175) 5.752 4.264 ( 8.187 4.986 1.962) 9.784 4.382 ( -0.203 -6.386 13.408) 14.852 4.460 ( 6.023 -3.683 0.389) 7.070 4.661 ( 4.095 -3.601 4.466) 7.048 4.890 ( -7.021 0.275 1.915) 7.282 5.115 ( 1.889 -2.590 -6.814) 7.530 5.241 ( -1.937 -5.356 -3.014) 6.444 5.692 ( 6.407 5.900 -1.494) 8.837 5.758 ( 4.649 0.960 2.385) 5.312 6.038 ( 9.341 -2.801 1.198) 9.826 6.468 ( 1.768 0.183 -0.971) 2.025 6.645 ( 3.206 -1.069 1.835) 3.846 6.793 ( -4.935 1.635 4.884) 7.133 7.086 ( 4.872 -2.713 -0.360) 5.588 7.178 ( 0.919 -0.867 -1.254) 1.780 7.609 ( -0.624 -5.261 -3.175) 6.177 7.846 ( 0.851 -4.543 -0.121) 4.623 10.404 ( 0.654 -0.418 0.037) 0.777 10.499 ( -0.765 0.263 -0.647) 1.036 13.942 ( -0.011 0.108 0.633) 0.643 13.994 ( -0.330 -0.260 -0.176) 0.456 14.966 ( 5.072 0.166 0.657) 5.117 15.155 ( 1.371 -2.143 0.032) 2.545 16.722 ( 0.573 1.549 -0.129) 1.657 16.789 ( -0.713 1.217 0.164) 1.420 22.227 ( -1.293 -0.735 -0.746) 1.664 22.283 ( -2.410 -0.726 0.492) 2.564 25.093 ( -0.198 -0.002 -0.188) 0.273 25.106 ( -0.465 -0.063 0.120) 0.484 25.789 ( 1.153 -0.722 0.015) 1.360 25.870 ( -0.386 0.014 -0.015) 0.387 39.568 ( -0.751 -1.587 -1.725) 2.462 39.690 ( -3.633 -3.061 1.326) 4.932 42.531 ( 0.370 -0.025 0.250) 0.447 42.560 ( -0.181 0.119 -0.125) 0.250 48.065 ( -5.017 8.298 1.365) 9.792 48.273 ( -5.735 3.771 -2.006) 7.151 48.709 ( -15.754 14.649 0.625) 21.521 48.798 ( -13.481 10.616 0.132) 17.160 ======================= Grid point 295 (145/180) ======================= q-point: ( 0.43 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 13.079 11.920 1.681) 17.776 2.920 ( 8.841 6.855 -4.325) 11.994 3.180 ( 0.673 3.792 -0.922) 3.960 3.462 ( 14.835 5.430 -3.958) 16.286 3.653 ( 1.403 -3.854 -0.667) 4.155 3.775 ( -2.030 -0.438 0.450) 2.125 3.921 ( -0.783 0.999 -2.031) 2.395 4.142 ( -1.366 -4.120 1.387) 4.556 4.269 ( 3.053 -0.546 1.998) 3.690 4.419 ( 4.218 -2.314 4.552) 6.623 4.454 ( 6.819 1.623 -0.751) 7.049 4.564 ( 4.438 -6.234 -2.317) 7.996 4.657 ( -4.309 -0.757 -2.709) 5.146 4.764 ( -4.393 -7.053 8.421) 11.830 5.155 ( -0.128 -3.060 -5.449) 6.251 5.179 ( -0.521 -6.243 -3.857) 7.357 5.777 ( 0.409 3.548 9.176) 9.847 5.838 ( 4.614 1.168 -5.100) 6.976 6.234 ( 8.747 -3.225 0.833) 9.359 6.489 ( -1.609 -0.825 0.697) 1.938 6.656 ( 0.129 0.014 3.360) 3.362 6.774 ( 1.017 2.137 1.607) 2.860 7.147 ( 1.664 -1.344 -1.646) 2.699 7.193 ( 0.291 -1.971 -0.761) 2.132 7.651 ( 4.224 -1.339 -1.445) 4.661 7.835 ( -2.040 -2.533 -0.780) 3.344 10.421 ( 0.847 -0.310 0.495) 1.029 10.479 ( -0.973 -0.146 -0.988) 1.394 13.946 ( 0.365 0.286 0.717) 0.854 13.985 ( -0.519 -0.044 -0.486) 0.712 15.052 ( 3.258 0.205 1.249) 3.495 15.162 ( -0.519 -1.121 -0.855) 1.502 16.736 ( 0.796 1.607 0.000) 1.793 16.774 ( -0.824 1.313 0.107) 1.554 22.210 ( -0.327 -0.776 -0.210) 0.868 22.240 ( -1.730 -0.623 0.124) 1.843 25.091 ( -0.013 -0.022 -0.151) 0.153 25.097 ( -0.372 -0.053 0.111) 0.392 25.814 ( 1.158 -0.600 0.093) 1.307 25.858 ( -0.744 -0.255 -0.109) 0.794 39.563 ( 0.466 -1.761 -0.980) 2.068 39.623 ( -2.884 -2.291 0.783) 3.765 42.538 ( 0.292 0.034 0.317) 0.432 42.556 ( -0.214 0.084 -0.243) 0.335 48.009 ( -0.399 8.986 0.695) 9.022 48.160 ( -5.374 7.413 -0.812) 9.192 48.473 ( -6.475 8.569 -0.160) 10.742 48.563 ( -9.088 7.326 0.332) 11.678 ======================= Grid point 296 (146/180) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( 8.058 10.994 3.884) 14.174 2.883 ( -8.308 12.124 -10.382) 17.995 3.333 ( 9.169 -0.334 9.029) 12.873 3.502 ( -13.240 -4.887 -7.465) 15.966 3.653 ( -7.660 1.029 4.453) 8.920 3.723 ( 6.549 2.933 -2.440) 7.580 3.978 ( 4.437 -3.496 4.053) 6.952 4.068 ( -1.121 1.594 -5.137) 5.494 4.388 ( 5.976 -4.767 4.350) 8.796 4.456 ( -1.214 -0.493 3.458) 3.698 4.474 ( -7.514 -4.165 -2.687) 9.002 4.562 ( 3.547 -1.471 -6.022) 7.142 4.673 ( -5.140 -3.948 4.363) 7.813 4.732 ( 7.052 -3.879 -1.288) 8.151 5.087 ( -3.310 -6.866 3.995) 8.606 5.230 ( 2.914 -3.848 -10.967) 11.982 5.754 ( -3.009 1.135 10.302) 10.792 5.914 ( 2.613 2.696 -5.615) 6.755 6.336 ( -2.814 -1.532 6.744) 7.467 6.455 ( 3.212 -3.257 -5.580) 7.215 6.699 ( 2.478 1.062 5.397) 6.033 6.767 ( -1.729 1.694 -1.408) 2.800 7.161 ( -0.856 -1.817 0.688) 2.123 7.186 ( -0.268 -1.082 -1.856) 2.165 7.743 ( 2.048 -0.049 0.385) 2.084 7.768 ( -2.086 -1.706 -1.982) 3.345 10.433 ( -0.142 -0.033 1.462) 1.469 10.464 ( -0.041 -0.539 -1.669) 1.754 13.957 ( 0.603 0.297 0.831) 1.068 13.973 ( -0.563 0.085 -0.721) 0.919 15.105 ( 1.661 -0.135 1.762) 2.426 15.137 ( -1.627 -0.464 -1.499) 2.260 16.752 ( 0.149 1.380 0.258) 1.412 16.758 ( -0.061 1.581 -0.251) 1.601 22.206 ( -0.544 -0.557 0.812) 1.124 22.222 ( 0.535 -0.809 -0.849) 1.289 25.091 ( -0.202 -0.014 0.083) 0.219 25.093 ( 0.198 -0.066 -0.108) 0.235 25.834 ( 0.293 -0.425 0.345) 0.621 25.841 ( -0.309 -0.502 -0.342) 0.682 39.569 ( -1.509 -1.853 1.058) 2.613 39.591 ( 1.448 -1.984 -1.126) 2.702 42.544 ( 0.202 0.098 0.392) 0.452 42.551 ( -0.191 0.025 -0.351) 0.400 48.043 ( 1.517 9.570 1.022) 9.744 48.062 ( -1.575 9.508 -0.918) 9.681 48.432 ( -1.649 5.737 0.591) 5.998 48.445 ( 1.716 5.701 -0.667) 5.991 ======================= Grid point 297 (147/180) ======================= q-point: (-0.43 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -14.694 13.647 -7.921) 21.561 2.834 ( -3.446 9.310 2.534) 10.246 3.197 ( -10.152 -3.046 -1.509) 10.706 3.397 ( -7.410 3.390 2.433) 8.504 3.585 ( 3.437 -3.766 6.329) 8.127 3.674 ( -8.335 2.642 4.442) 9.808 4.005 ( -1.265 1.903 -6.142) 6.554 4.131 ( -1.018 -2.345 1.592) 3.012 4.323 ( -5.115 -3.207 -2.518) 6.541 4.416 ( -4.506 2.637 1.586) 5.457 4.485 ( 5.527 -6.604 2.951) 9.103 4.574 ( -2.150 -3.961 1.026) 4.623 4.610 ( -0.115 0.536 -4.733) 4.765 4.862 ( 5.461 -2.683 0.404) 6.098 5.054 ( 0.125 -9.742 1.175) 9.813 5.252 ( -0.204 -3.159 -9.488) 10.002 5.680 ( -4.792 1.092 9.186) 10.418 5.912 ( -3.079 3.127 -2.224) 4.920 6.227 ( -5.519 -2.968 0.564) 6.292 6.533 ( 1.579 2.267 -3.081) 4.139 6.689 ( -2.663 0.668 0.750) 2.846 6.778 ( 3.003 -1.215 1.346) 3.508 7.112 ( -3.249 -1.915 1.144) 3.941 7.182 ( -0.436 -0.881 0.218) 1.007 7.650 ( -5.251 -2.700 -1.314) 6.049 7.827 ( 2.355 -1.430 -0.058) 2.756 10.418 ( -1.004 -0.336 0.771) 1.310 10.475 ( 0.805 -0.168 -0.580) 1.007 13.961 ( -0.363 0.080 -0.700) 0.792 13.972 ( 0.640 0.128 0.735) 0.983 15.078 ( -3.314 -0.210 -1.224) 3.539 15.138 ( 0.689 -0.766 1.418) 1.753 16.738 ( -0.734 1.525 -0.163) 1.700 16.775 ( 0.917 1.285 -0.040) 1.579 22.200 ( 0.162 -0.486 0.547) 0.749 22.248 ( 1.841 -0.867 -0.572) 2.114 25.089 ( 0.006 0.037 0.049) 0.061 25.099 ( 0.366 -0.106 -0.065) 0.386 25.815 ( -1.195 -0.637 -0.042) 1.355 25.856 ( 0.748 -0.229 0.085) 0.787 39.543 ( -0.869 -1.378 0.882) 1.853 39.641 ( 3.122 -2.579 -0.816) 4.131 42.544 ( -0.245 -0.017 -0.098) 0.264 42.551 ( 0.195 0.120 0.119) 0.257 48.021 ( 0.767 8.593 -0.369) 8.635 48.143 ( 4.579 7.898 0.720) 9.158 48.474 ( 7.167 8.587 -0.223) 11.187 48.568 ( 8.859 7.224 -0.122) 11.432 ======================= Grid point 298 (148/180) ======================= q-point: (-0.36 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -20.334 13.428 -4.839) 24.843 2.605 ( -14.091 10.074 0.953) 17.348 3.062 ( -10.145 6.455 -0.134) 12.026 3.242 ( -4.684 4.680 -1.774) 6.855 3.471 ( -9.249 -0.658 3.048) 9.761 3.666 ( 1.161 -6.426 8.627) 10.819 3.900 ( -10.631 -1.324 -0.375) 10.720 3.989 ( -6.345 2.605 2.166) 7.193 4.219 ( -7.653 -2.206 -0.775) 8.003 4.310 ( -3.617 5.588 -2.146) 6.994 4.439 ( -8.501 -3.356 2.384) 9.446 4.591 ( -1.280 0.676 -4.550) 4.775 4.686 ( 7.527 -3.990 -0.499) 8.534 4.958 ( 3.493 -1.566 0.248) 3.836 5.077 ( 1.746 -10.447 -5.306) 11.847 5.191 ( -5.159 -0.864 -1.291) 5.388 5.584 ( -5.077 0.703 7.277) 8.900 5.782 ( -8.683 1.996 1.628) 9.057 6.123 ( -5.060 -1.375 -6.570) 8.405 6.477 ( -4.647 6.193 -1.090) 7.819 6.659 ( -1.704 -1.651 0.723) 2.480 6.865 ( 5.580 -1.705 -1.895) 6.135 7.044 ( -3.681 -1.456 2.902) 4.908 7.164 ( -1.438 -1.188 0.585) 1.955 7.574 ( -0.857 -5.750 -0.150) 5.816 7.844 ( -0.693 -4.003 0.087) 4.064 10.400 ( -0.703 -0.552 0.415) 0.986 10.489 ( 0.596 0.268 0.185) 0.679 13.956 ( -0.023 -0.136 -0.755) 0.767 13.986 ( 0.594 -0.109 0.664) 0.898 14.988 ( -5.330 -0.041 -1.536) 5.547 15.139 ( -0.827 -2.135 1.623) 2.806 16.725 ( -0.473 1.523 -0.396) 1.643 16.792 ( 0.681 0.975 -0.078) 1.192 22.214 ( 1.042 -0.353 0.480) 1.200 22.293 ( 2.466 -0.964 -0.449) 2.686 25.091 ( 0.208 0.070 0.024) 0.221 25.107 ( 0.428 -0.116 -0.026) 0.444 25.790 ( -1.210 -0.755 -0.035) 1.427 25.868 ( 0.420 0.028 0.144) 0.445 39.536 ( 0.080 -0.944 1.230) 1.553 39.714 ( 3.991 -3.414 -0.929) 5.333 42.537 ( -0.366 -0.128 -0.292) 0.486 42.556 ( 0.215 0.183 0.295) 0.409 48.086 ( 5.416 7.484 -0.400) 9.247 48.241 ( 5.255 5.174 0.771) 7.414 48.723 ( 16.293 14.012 -0.644) 21.499 48.797 ( 13.142 10.666 0.205) 16.927 ======================= Grid point 299 (149/180) ======================= q-point: (-0.29 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -17.933 19.015 -2.426) 26.250 2.345 ( -11.007 16.799 6.551) 21.125 2.759 ( -17.329 7.076 -6.885) 19.944 3.042 ( -15.724 8.936 3.063) 18.344 3.382 ( -0.809 -2.518 -2.489) 3.631 3.596 ( -13.978 2.712 -1.192) 14.289 3.636 ( -6.876 -5.217 6.998) 11.112 3.937 ( -1.789 -0.522 5.819) 6.110 4.032 ( -8.410 1.342 0.317) 8.523 4.188 ( -10.578 -2.211 1.380) 10.895 4.271 ( -5.624 0.579 -1.519) 5.855 4.544 ( -3.079 2.498 -0.037) 3.965 4.707 ( -5.314 -4.275 -13.347) 14.988 4.990 ( -0.637 2.874 -0.231) 2.953 5.051 ( -7.982 5.855 8.234) 12.876 5.126 ( 2.537 -7.732 -4.103) 9.114 5.464 ( -8.164 -3.686 5.694) 10.614 5.604 ( -7.555 1.399 -0.257) 7.688 5.989 ( -6.757 0.499 -7.604) 10.184 6.409 ( -1.658 2.634 1.898) 3.646 6.607 ( -2.709 -0.964 -1.380) 3.190 6.927 ( -5.349 -3.229 1.693) 6.473 7.008 ( 5.234 0.702 -2.089) 5.680 7.130 ( -1.333 -0.902 0.861) 1.825 7.650 ( 7.876 -5.768 0.655) 9.785 7.812 ( -1.583 -8.415 0.820) 8.602 10.391 ( -0.211 -0.562 0.299) 0.671 10.499 ( 0.292 0.588 0.622) 0.904 13.958 ( 0.205 -0.443 -0.667) 0.826 13.998 ( 0.605 -0.420 0.318) 0.802 14.854 ( -7.576 -0.058 -1.476) 7.719 15.100 ( -3.276 -4.277 1.224) 5.524 16.716 ( -0.433 1.383 -0.772) 1.642 16.804 ( 0.529 0.747 0.066) 0.918 22.241 ( 1.413 -0.040 0.595) 1.534 22.348 ( 2.843 -1.181 -0.303) 3.094 25.097 ( 0.318 0.070 -0.011) 0.326 25.116 ( 0.391 -0.088 0.042) 0.403 25.767 ( -0.963 -0.843 0.031) 1.280 25.874 ( 0.126 0.243 0.160) 0.317 39.547 ( 0.856 -0.391 2.031) 2.238 39.800 ( 4.318 -4.589 -1.231) 6.420 42.528 ( -0.459 -0.188 -0.359) 0.612 42.560 ( 0.163 0.186 0.341) 0.421 48.233 ( 8.396 6.510 0.533) 10.638 48.372 ( 7.466 4.660 -0.400) 8.810 49.096 ( 16.703 15.456 -0.353) 22.760 49.127 ( 21.452 18.067 -0.155) 28.047 ======================= Grid point 300 (150/180) ======================= q-point: (-0.21 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -6.105 30.772 0.691) 31.379 2.169 ( -7.356 20.645 15.805) 27.021 2.360 ( -19.804 7.369 -12.615) 24.610 2.664 ( -19.691 9.294 2.802) 21.953 3.276 ( -15.178 7.333 2.692) 17.070 3.338 ( -4.474 0.963 -4.933) 6.729 3.508 ( -6.525 -1.309 -0.255) 6.660 3.790 ( -9.743 -0.823 -1.630) 9.912 3.928 ( -10.273 -0.840 2.224) 10.544 3.998 ( -1.672 -3.332 9.000) 9.742 4.142 ( -7.506 -0.311 -3.399) 8.245 4.431 ( -7.813 -0.931 -1.852) 8.083 4.575 ( -3.494 4.118 -9.528) 10.952 4.835 ( -13.619 8.661 6.877) 17.544 4.924 ( -5.738 6.301 -1.314) 8.623 5.144 ( -1.590 -3.525 -2.928) 4.850 5.264 ( -10.464 -4.338 1.729) 11.459 5.450 ( -8.608 -0.865 -1.679) 8.812 5.871 ( -3.277 -0.692 -3.820) 5.080 6.392 ( -1.166 -2.054 7.070) 7.454 6.567 ( -0.845 -0.420 -3.736) 3.854 6.780 ( -7.668 -6.590 -0.134) 10.112 7.087 ( 1.603 0.024 0.964) 1.871 7.175 ( 6.099 1.058 0.076) 6.190 7.742 ( 0.153 1.251 -0.168) 1.271 7.936 ( 14.282 -14.055 0.227) 20.039 10.392 ( 0.257 -0.342 0.379) 0.571 10.503 ( 0.016 0.690 0.711) 0.991 13.961 ( 0.112 -0.674 -0.602) 0.911 14.012 ( 0.772 -0.821 -0.107) 1.132 14.677 ( -9.248 -0.169 -1.249) 9.333 14.997 ( -6.965 -6.840 0.148) 9.764 16.704 ( -0.586 1.103 -0.987) 1.592 16.815 ( 0.483 0.699 0.382) 0.931 22.270 ( 1.369 0.417 1.142) 1.831 22.408 ( 2.987 -1.577 -0.125) 3.380 25.104 ( 0.324 0.049 -0.069) 0.335 25.123 ( 0.285 -0.052 0.143) 0.323 25.753 ( -0.347 -0.865 0.137) 0.942 25.874 ( -0.059 0.367 0.095) 0.384 39.576 ( 1.711 0.235 3.403) 3.816 39.885 ( 3.954 -6.104 -1.649) 7.457 42.518 ( -0.444 -0.156 -0.401) 0.619 42.562 ( -0.006 0.136 0.362) 0.387 48.416 ( 8.756 5.744 2.850) 10.853 48.543 ( 9.037 5.032 -2.826) 10.723 49.453 ( 18.048 19.888 0.692) 26.866 49.618 ( 25.422 21.941 -2.206) 33.653 ======================= Grid point 301 (151/180) ======================= q-point: (-0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.631 30.239 8.783) 31.495 1.913 ( -19.233 10.263 -5.471) 22.476 2.034 ( -11.262 16.700 6.230) 21.084 2.373 ( -3.544 18.989 2.999) 19.548 2.988 ( -12.259 13.566 3.007) 18.530 3.184 ( -9.818 5.393 0.157) 11.203 3.360 ( -8.173 -4.046 -8.807) 12.678 3.602 ( -6.886 2.157 -1.869) 7.454 3.724 ( -8.184 -1.865 -0.059) 8.394 3.949 ( -7.758 6.161 -0.533) 9.921 4.019 ( -0.474 -4.241 4.398) 6.129 4.275 ( -7.397 0.409 -0.393) 7.419 4.481 ( -11.369 10.649 3.624) 15.993 4.578 ( -4.438 4.619 -4.394) 7.768 4.775 ( -7.500 2.786 -4.846) 9.354 5.004 ( -11.125 -3.372 -3.223) 12.064 5.077 ( -8.589 2.228 1.560) 9.010 5.236 ( -11.163 -1.570 -4.001) 11.962 5.855 ( 1.546 -2.112 1.883) 3.224 6.358 ( -2.693 -3.404 5.861) 7.293 6.542 ( -1.915 -4.151 -2.058) 5.013 6.635 ( -5.766 -9.106 -1.589) 10.894 7.151 ( 4.439 0.677 4.574) 6.410 7.300 ( 4.996 -0.879 0.180) 5.076 7.795 ( 5.979 1.779 3.075) 6.955 8.258 ( 15.666 -10.054 -6.056) 19.575 10.402 ( 0.632 0.065 0.696) 0.942 10.501 ( -0.291 0.580 0.345) 0.735 13.962 ( 0.081 -0.710 -0.574) 0.917 14.029 ( 0.800 -1.350 -0.331) 1.604 14.483 ( -8.925 -0.078 -1.133) 8.997 14.807 ( -11.411 -8.144 -1.040) 14.058 16.695 ( -0.060 0.793 -0.250) 0.834 16.822 ( 0.057 0.720 0.365) 0.809 22.303 ( 1.773 0.600 2.417) 3.057 22.466 ( 2.388 -2.163 -0.188) 3.227 25.110 ( 0.318 0.037 -0.137) 0.348 25.128 ( 0.133 -0.049 0.209) 0.252 25.755 ( 0.561 -0.726 0.313) 0.970 25.871 ( -0.298 0.349 -0.152) 0.483 39.628 ( 3.129 0.262 5.398) 6.245 39.953 ( 2.593 -7.683 -2.337) 8.439 42.511 ( -0.148 0.008 -0.417) 0.443 42.559 ( -0.403 0.080 0.376) 0.557 48.586 ( 7.167 5.689 4.995) 10.425 48.722 ( 8.133 4.840 -4.864) 10.641 49.832 ( 17.986 23.945 3.392) 30.139 50.146 ( 25.258 23.545 -8.111) 35.470 ======================= Grid point 302 (152/180) ======================= q-point: (-0.07 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -13.588 11.892 9.987) 20.635 1.538 ( -14.231 8.611 -6.442) 17.837 1.974 ( 5.286 24.010 12.394) 27.533 2.458 ( 5.966 21.613 -5.363) 23.053 2.824 ( -2.480 20.613 5.003) 21.356 2.974 ( -8.968 10.950 7.661) 16.094 3.165 ( -7.638 -2.460 -13.678) 15.858 3.534 ( -1.633 11.330 -4.895) 12.450 3.593 ( -4.088 -4.054 -1.524) 5.955 3.754 ( -9.936 12.650 0.616) 16.097 4.043 ( -0.882 -2.596 3.904) 4.771 4.109 ( -5.220 -1.766 2.274) 5.961 4.259 ( -6.450 7.906 -0.310) 10.208 4.555 ( -4.113 -1.268 -3.541) 5.573 4.625 ( -4.035 3.114 -1.721) 5.380 4.797 ( -5.352 1.557 -4.072) 6.902 4.872 ( -10.197 5.002 1.792) 11.498 5.006 ( -10.441 -0.570 -5.539) 11.833 5.926 ( 4.723 -2.220 6.127) 8.048 6.290 ( -4.123 -2.996 -0.271) 5.103 6.487 ( -2.667 -11.053 2.707) 11.688 6.558 ( -1.446 -7.308 -4.503) 8.706 7.251 ( 4.012 0.433 6.100) 7.314 7.362 ( 1.129 -1.434 0.850) 2.013 7.989 ( 10.819 -0.239 9.244) 14.232 8.511 ( 8.221 -8.374 -14.728) 18.831 10.419 ( 0.896 0.561 1.283) 1.662 10.491 ( -0.663 0.398 -0.580) 0.967 13.968 ( 0.763 -0.632 -0.175) 1.006 14.038 ( -0.207 -1.886 -0.332) 1.926 14.336 ( -4.196 0.252 -1.141) 4.356 14.545 ( -12.799 -5.684 -0.623) 14.019 16.709 ( 1.432 0.433 1.160) 1.893 16.814 ( -0.856 0.651 -0.377) 1.139 22.354 ( 2.909 -0.375 3.880) 4.864 22.498 ( 0.592 -2.691 -1.011) 2.935 25.117 ( 0.374 0.026 -0.158) 0.407 25.128 ( -0.114 -0.060 0.169) 0.212 25.776 ( 1.380 -0.418 0.638) 1.577 25.858 ( -0.979 0.153 -0.570) 1.143 39.716 ( 4.599 -1.775 7.446) 8.930 39.980 ( 0.087 -8.495 -3.772) 9.295 42.514 ( 0.479 0.204 -0.366) 0.636 42.546 ( -0.916 0.134 0.347) 0.989 48.712 ( 4.302 6.086 6.105) 9.634 48.852 ( 4.578 4.159 -5.914) 8.558 50.170 ( 12.986 25.666 9.580) 30.318 50.585 ( 16.574 22.543 -19.334) 34.010 ======================= Grid point 303 (153/180) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -3.719 10.331 7.590) 13.348 1.585 ( 3.671 6.568 -8.384) 11.265 2.517 ( 4.368 17.416 18.208) 25.572 2.818 ( 0.807 10.745 -4.230) 11.576 2.849 ( -2.034 3.273 0.664) 3.910 2.928 ( -4.157 3.831 -15.235) 16.250 3.378 ( -1.112 -2.059 3.731) 4.404 3.471 ( 0.895 -2.770 -5.267) 6.018 3.813 ( -1.148 1.269 0.987) 1.976 3.845 ( -0.729 2.122 -2.473) 3.339 4.063 ( -0.449 5.670 4.893) 7.503 4.174 ( 2.068 4.821 -6.022) 7.987 4.371 ( 9.060 14.561 6.475) 18.332 4.465 ( -6.015 7.123 -2.449) 9.639 4.739 ( -1.395 8.010 4.954) 9.520 4.749 ( -4.878 0.009 4.657) 6.744 4.886 ( 4.614 8.653 -3.950) 10.572 4.912 ( -0.827 4.988 -5.029) 7.131 5.998 ( 5.104 -1.543 8.150) 9.740 6.169 ( -4.398 -1.557 -8.474) 9.674 6.227 ( -0.396 -4.664 9.404) 10.504 6.439 ( 0.630 -3.768 -12.068) 12.658 7.338 ( 1.461 1.810 6.703) 7.095 7.389 ( -1.071 2.059 2.445) 3.371 7.983 ( 2.665 -12.980 10.390) 16.838 8.262 ( -3.554 -16.928 -16.823) 24.129 10.461 ( 0.316 1.232 1.761) 2.172 10.487 ( -0.087 0.504 -0.799) 0.949 13.974 ( 0.850 -0.999 0.319) 1.350 13.983 ( -0.976 -1.292 -0.494) 1.693 14.313 ( -1.859 -0.464 0.935) 2.131 14.328 ( 1.473 -0.887 -0.582) 1.816 16.760 ( 1.649 0.713 1.847) 2.576 16.796 ( -1.180 0.165 -1.624) 2.014 22.395 ( 1.324 -0.275 2.495) 2.838 22.440 ( -0.977 -1.617 -2.018) 2.764 25.123 ( -0.245 0.005 0.067) 0.254 25.124 ( 0.239 -0.031 -0.076) 0.253 25.805 ( 0.990 -0.079 1.169) 1.534 25.826 ( -1.104 -0.269 -0.827) 1.405 39.735 ( 0.939 -2.011 4.532) 5.046 39.818 ( -0.767 -4.906 -3.832) 6.272 42.530 ( -0.631 0.261 0.170) 0.703 42.534 ( 0.604 0.152 -0.148) 0.640 48.887 ( 0.342 4.829 3.714) 6.102 48.957 ( -0.257 2.312 -3.306) 4.042 50.786 ( 0.182 17.086 11.103) 20.378 51.051 ( -0.541 9.200 -15.811) 18.300 ======================= Grid point 304 (154/180) ======================= q-point: ( 0.07 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 13.593 10.710 6.289) 18.413 1.818 ( 17.791 4.885 -7.525) 19.926 2.608 ( 1.527 20.258 11.443) 23.316 2.779 ( -2.702 15.257 -13.356) 20.457 2.872 ( 6.876 -0.162 3.065) 7.530 3.011 ( 9.782 3.415 0.013) 10.361 3.400 ( 3.399 -0.703 3.010) 4.595 3.501 ( 2.235 -3.606 -4.564) 6.231 3.732 ( -5.042 12.902 1.882) 13.980 3.827 ( -0.607 1.726 -0.394) 1.871 4.047 ( -2.579 1.274 1.342) 3.174 4.255 ( 7.951 1.715 -3.747) 8.955 4.476 ( 2.971 -0.007 0.879) 3.098 4.543 ( 3.240 3.133 5.881) 7.409 4.659 ( 1.359 7.331 -3.650) 8.302 4.791 ( 9.243 8.853 2.859) 13.114 4.993 ( 6.834 3.469 -1.455) 7.801 5.059 ( 9.914 9.536 -1.260) 13.814 6.039 ( -2.844 0.187 -4.741) 5.532 6.178 ( 6.962 -2.438 2.730) 7.865 6.241 ( 1.006 -5.135 8.629) 10.091 6.456 ( 1.982 -4.647 -11.181) 12.270 7.334 ( -3.398 3.170 3.005) 5.534 7.348 ( -2.038 0.669 3.619) 4.208 7.970 ( -4.973 -15.064 11.009) 19.309 8.083 ( -10.979 -12.917 -14.365) 22.220 10.448 ( -1.104 1.246 0.498) 1.737 10.501 ( 0.958 0.392 -0.091) 1.039 13.960 ( -0.861 -0.479 -0.362) 1.050 13.988 ( 0.176 -1.665 0.468) 1.739 14.335 ( 4.756 0.981 0.412) 4.874 14.450 ( 8.785 -2.907 0.526) 9.269 16.761 ( -1.193 1.069 -1.543) 2.225 16.802 ( 1.408 -0.298 0.807) 1.650 22.400 ( -1.643 -0.477 -1.143) 2.057 22.418 ( -0.364 -1.577 0.888) 1.847 25.117 ( -0.301 0.141 0.041) 0.335 25.128 ( 0.082 -0.142 -0.037) 0.168 25.786 ( -1.561 0.270 -0.176) 1.593 25.839 ( 1.092 -0.463 0.681) 1.368 39.728 ( -1.937 -2.356 2.235) 3.781 39.801 ( -0.568 -4.419 -1.970) 4.871 42.518 ( -0.423 0.549 0.068) 0.697 42.548 ( 0.630 -0.190 0.006) 0.658 48.849 ( -4.329 4.842 3.341) 7.304 48.906 ( -4.190 2.332 -3.145) 5.734 50.659 ( -12.950 17.305 8.437) 23.203 50.880 ( -13.976 11.371 -11.328) 21.283 ======================= Grid point 305 (155/180) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 21.492 10.554 5.614) 24.593 2.199 ( 15.794 9.425 -7.924) 20.027 2.626 ( 4.144 24.432 -0.480) 24.785 2.772 ( 1.952 12.178 -7.108) 14.235 3.073 ( 10.292 -0.018 5.797) 11.812 3.252 ( 12.519 4.597 1.587) 13.431 3.475 ( 1.252 8.873 1.132) 9.032 3.577 ( 6.664 -1.825 0.664) 6.941 3.691 ( 3.262 4.246 -0.945) 5.437 3.861 ( 4.598 -1.061 -0.185) 4.723 4.020 ( 0.765 -0.915 0.178) 1.206 4.381 ( 0.417 1.877 0.605) 2.015 4.431 ( -3.051 1.405 9.731) 10.294 4.660 ( 11.147 -1.659 -0.918) 11.307 4.884 ( 14.355 -4.812 -8.916) 17.570 5.001 ( 8.925 7.291 0.217) 11.527 5.136 ( 6.539 4.521 1.768) 8.143 5.270 ( 10.319 7.605 -0.064) 12.819 5.968 ( -2.732 2.686 -7.685) 8.587 6.288 ( 2.899 -5.607 6.105) 8.782 6.355 ( 8.412 -2.947 5.368) 10.405 6.499 ( 3.402 -5.010 -8.691) 10.593 7.227 ( -6.407 0.971 -0.174) 6.483 7.291 ( -4.110 1.163 3.214) 5.345 7.796 ( -11.072 -18.725 0.307) 21.756 7.871 ( -7.628 -3.342 -0.334) 8.335 10.426 ( -0.986 1.330 -0.015) 1.655 10.516 ( 0.438 -0.067 -0.130) 0.461 13.948 ( -0.287 -0.159 -0.069) 0.336 13.987 ( -0.188 -1.493 0.494) 1.583 14.484 ( 8.913 1.149 0.084) 8.987 14.660 ( 10.686 -4.358 1.125) 11.596 16.741 ( -0.562 1.509 -1.578) 2.255 16.823 ( 0.506 -0.598 0.344) 0.855 22.355 ( -2.324 -0.004 -2.016) 3.077 22.402 ( -1.544 -1.767 1.380) 2.722 25.111 ( -0.251 0.200 0.012) 0.322 25.127 ( -0.145 -0.179 -0.020) 0.231 25.760 ( -0.781 0.723 -0.136) 1.073 25.857 ( 0.611 -0.787 0.609) 1.167 39.676 ( -2.791 -1.341 -0.141) 3.100 39.781 ( -1.502 -4.523 0.068) 4.766 42.514 ( 0.036 0.615 0.020) 0.616 42.558 ( 0.331 -0.364 0.097) 0.501 48.722 ( -7.935 5.151 2.461) 9.775 48.786 ( -7.017 2.265 -2.454) 7.771 50.306 ( -20.552 17.895 3.281) 27.448 50.488 ( -22.409 13.453 -4.295) 26.488 ======================= Grid point 306 (156/180) ======================= q-point: ( 0.21 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 4.462 27.263 5.209) 28.112 2.449 ( 18.661 13.905 -4.948) 23.792 2.809 ( 3.507 11.705 -4.992) 13.200 2.916 ( 19.566 9.956 -8.048) 23.382 3.256 ( 6.487 0.533 2.886) 7.120 3.455 ( 3.944 -1.075 1.629) 4.400 3.544 ( 9.502 12.636 1.137) 15.851 3.744 ( 8.746 -0.762 1.960) 8.995 3.855 ( 10.728 -7.879 -1.755) 13.425 4.008 ( 8.350 -0.462 3.098) 8.918 4.083 ( 4.767 -0.332 -3.543) 5.949 4.311 ( -2.619 3.911 9.884) 10.948 4.448 ( 0.810 -2.731 7.238) 7.778 4.883 ( 8.449 -3.893 -3.482) 9.933 5.059 ( 1.320 -3.964 -2.963) 5.122 5.203 ( 8.784 -0.003 -5.154) 10.185 5.271 ( 9.576 2.558 -0.086) 9.912 5.480 ( 9.763 4.838 -0.348) 10.901 5.925 ( -0.632 4.568 -4.308) 6.310 6.365 ( 3.769 -6.090 1.186) 7.260 6.452 ( 0.925 -3.149 1.536) 3.624 6.637 ( 10.079 -2.894 0.565) 10.502 7.088 ( -7.087 -0.903 1.510) 7.302 7.197 ( -4.066 -1.117 -1.132) 4.366 7.603 ( -6.942 -12.509 0.550) 14.317 7.759 ( -2.894 -0.884 0.574) 3.080 10.409 ( -0.607 1.217 -0.221) 1.378 10.518 ( -0.169 -0.515 -0.341) 0.641 13.945 ( -0.054 -0.004 0.178) 0.186 13.984 ( -0.059 -1.141 0.397) 1.210 14.677 ( 9.200 1.225 0.086) 9.281 14.868 ( 8.957 -4.499 1.036) 10.077 16.736 ( 0.176 1.624 -0.907) 1.869 16.825 ( -0.250 -0.428 -0.149) 0.517 22.304 ( -2.374 0.100 -1.445) 2.781 22.361 ( -2.354 -1.561 0.904) 2.966 25.106 ( -0.260 0.189 -0.044) 0.325 25.122 ( -0.345 -0.164 0.006) 0.382 25.755 ( 0.194 0.834 -0.059) 0.859 25.866 ( 0.220 -0.916 0.338) 1.000 39.620 ( -2.513 -0.646 -0.828) 2.724 39.739 ( -2.456 -4.206 0.628) 4.911 42.518 ( 0.327 0.525 0.025) 0.619 42.562 ( 0.083 -0.354 0.101) 0.377 48.542 ( -9.285 5.656 1.825) 11.024 48.624 ( -8.099 2.157 -1.950) 8.605 49.859 ( -22.209 16.544 0.799) 27.705 49.982 ( -25.585 14.113 -0.880) 29.233 ======================= Grid point 307 (157/180) ======================= q-point: ( 0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 5.691 31.229 3.715) 31.960 2.783 ( 9.031 13.296 -3.344) 16.417 2.953 ( 14.080 7.199 -6.726) 17.185 3.291 ( 13.123 7.558 -4.895) 15.915 3.354 ( 5.698 -1.088 -2.655) 6.380 3.524 ( 3.726 -0.817 3.072) 4.898 3.778 ( 11.789 4.184 -3.813) 13.077 3.924 ( 7.595 -2.008 1.522) 8.002 4.047 ( 5.983 -9.030 2.067) 11.028 4.135 ( 3.346 0.622 -3.912) 5.185 4.192 ( 7.235 1.160 5.850) 9.376 4.369 ( 5.540 1.122 14.845) 15.885 4.476 ( 2.454 -3.450 2.547) 4.941 4.938 ( -4.866 -10.673 -2.545) 12.003 5.043 ( 0.906 -0.577 -6.192) 6.285 5.255 ( -0.679 0.595 -0.853) 1.242 5.537 ( 12.381 -2.474 -5.253) 13.675 5.661 ( 7.945 2.963 -0.906) 8.527 5.936 ( 1.660 4.129 2.126) 4.931 6.401 ( 0.404 -4.739 -1.197) 4.904 6.515 ( 5.602 -1.122 2.630) 6.290 6.832 ( 5.255 -4.693 3.702) 7.959 6.946 ( -3.769 -1.524 1.824) 4.456 7.155 ( -0.218 -1.690 -3.449) 3.847 7.519 ( -1.136 -3.750 -0.554) 3.957 7.750 ( 1.489 -1.374 0.296) 2.048 10.401 ( -0.093 0.921 -0.297) 0.972 10.509 ( -0.654 -0.844 -0.473) 1.168 13.945 ( 0.027 0.215 0.299) 0.370 13.985 ( 0.064 -0.824 0.215) 0.854 14.850 ( 7.414 1.290 0.329) 7.533 15.021 ( 5.715 -3.621 0.485) 6.783 16.743 ( 0.519 1.583 -0.331) 1.699 16.816 ( -0.464 -0.051 -0.282) 0.545 22.256 ( -2.147 -0.000 -0.799) 2.291 22.311 ( -2.454 -1.312 0.518) 2.831 25.100 ( -0.289 0.154 -0.087) 0.339 25.114 ( -0.462 -0.138 0.040) 0.484 25.766 ( 0.814 0.692 -0.026) 1.069 25.867 ( -0.118 -0.924 0.122) 0.939 39.573 ( -1.877 -0.474 -0.888) 2.130 39.684 ( -2.873 -3.600 0.696) 4.658 42.526 ( 0.396 0.402 0.071) 0.569 42.562 ( -0.060 -0.263 0.033) 0.272 48.360 ( -7.974 6.233 1.294) 10.203 48.463 ( -7.017 2.183 -1.484) 7.497 49.412 ( -20.738 13.464 0.135) 24.725 49.460 ( -24.289 13.251 0.067) 27.668 ======================= Grid point 308 (158/180) ======================= q-point: ( 0.36 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 11.799 22.134 4.891) 25.555 2.903 ( 5.283 10.943 -5.084) 13.172 3.262 ( 12.483 2.946 -1.647) 12.931 3.348 ( 1.327 5.423 -7.336) 9.219 3.544 ( 4.970 -1.196 -1.020) 5.212 3.642 ( 8.226 -0.269 -3.389) 8.900 3.947 ( 1.651 -1.542 -1.108) 2.516 4.029 ( 4.270 -2.440 2.417) 5.480 4.167 ( 6.436 -2.540 -3.130) 7.594 4.204 ( 3.442 -5.138 6.694) 9.114 4.340 ( 6.678 1.824 4.333) 8.167 4.468 ( 3.263 1.935 5.752) 6.891 4.575 ( 5.138 -3.976 4.060) 7.661 4.754 ( -10.538 -12.084 -3.264) 16.363 5.071 ( 2.013 -0.504 -8.539) 8.787 5.203 ( -3.881 0.222 0.841) 3.977 5.727 ( 6.985 -2.229 -5.305) 9.050 5.797 ( 3.773 0.437 5.022) 6.297 6.008 ( 5.874 1.823 2.028) 6.476 6.427 ( 1.807 -3.793 2.868) 5.087 6.640 ( 4.946 0.878 -0.972) 5.116 6.770 ( -4.076 -4.278 2.226) 6.314 7.035 ( 5.390 -1.698 2.204) 6.065 7.156 ( 0.262 -1.748 -3.232) 3.684 7.553 ( 4.280 1.598 -1.487) 4.804 7.794 ( 2.054 -1.374 0.156) 2.476 10.405 ( 0.431 0.502 -0.249) 0.707 10.491 ( -1.000 -0.974 -0.535) 1.495 13.948 ( 0.218 0.437 0.379) 0.618 13.986 ( -0.040 -0.522 -0.022) 0.524 14.979 ( 5.032 1.139 0.629) 5.198 15.106 ( 2.646 -2.419 -0.107) 3.587 16.755 ( 0.615 1.533 -0.081) 1.653 16.807 ( -0.448 0.358 -0.176) 0.600 22.217 ( -1.451 -0.148 -0.371) 1.505 22.263 ( -2.189 -1.101 0.274) 2.465 25.095 ( -0.236 0.102 -0.099) 0.276 25.104 ( -0.451 -0.112 0.061) 0.469 25.785 ( 1.031 0.389 0.003) 1.102 25.861 ( -0.475 -0.847 0.002) 0.971 39.543 ( -1.009 -0.657 -0.703) 1.394 39.626 ( -2.754 -2.888 0.562) 4.030 42.534 ( 0.351 0.297 0.134) 0.479 42.560 ( -0.148 -0.165 -0.061) 0.230 48.231 ( -4.289 6.919 0.791) 8.179 48.345 ( -4.095 2.763 -0.962) 5.033 48.996 ( -19.693 11.504 0.090) 22.807 49.020 ( -17.457 9.593 0.119) 19.920 ======================= Grid point 309 (159/180) ======================= q-point: ( 0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 11.807 15.112 5.976) 20.087 3.025 ( 7.498 4.361 -2.445) 9.012 3.275 ( -3.398 4.051 -6.845) 8.649 3.526 ( 3.541 -0.317 0.221) 3.562 3.584 ( 4.545 -1.925 -9.474) 10.683 3.745 ( -0.629 -3.056 2.458) 3.972 3.933 ( -0.679 -1.401 6.602) 6.783 4.065 ( 0.985 -1.849 0.159) 2.101 4.228 ( 1.825 -3.750 -1.672) 4.493 4.365 ( 6.764 -1.765 -0.661) 7.022 4.448 ( 1.159 -3.002 -2.356) 3.988 4.520 ( 1.424 1.565 2.400) 3.199 4.573 ( -2.654 -5.628 0.542) 6.246 4.647 ( 1.216 -2.880 4.496) 5.476 5.105 ( -2.328 -0.828 0.028) 2.471 5.120 ( 0.266 -0.401 -7.427) 7.443 5.812 ( -0.793 -0.217 9.470) 9.506 5.853 ( 4.544 -1.831 -3.962) 6.300 6.170 ( 8.656 -0.562 0.339) 8.680 6.444 ( -1.550 -2.178 2.699) 3.799 6.657 ( -0.632 -0.448 1.744) 1.909 6.773 ( 1.800 -1.942 -1.413) 3.001 7.113 ( 2.070 -1.732 1.785) 3.236 7.159 ( 0.508 -1.441 -2.994) 3.361 7.666 ( 5.960 2.954 -1.134) 6.748 7.814 ( -0.488 -0.020 -0.092) 0.497 10.418 ( 0.774 0.056 0.015) 0.776 10.468 ( -1.147 -0.895 -0.634) 1.587 13.955 ( 0.412 0.505 0.476) 0.807 13.982 ( -0.264 -0.205 -0.259) 0.423 15.062 ( 2.930 0.726 0.916) 3.155 15.136 ( 0.390 -1.338 -0.574) 1.507 16.768 ( 0.679 1.412 0.031) 1.567 16.797 ( -0.516 0.771 -0.119) 0.935 22.197 ( -0.427 -0.347 -0.091) 0.558 22.223 ( -1.584 -0.852 0.066) 1.800 25.091 ( -0.075 0.032 -0.081) 0.115 25.096 ( -0.331 -0.074 0.054) 0.344 25.807 ( 1.035 0.011 0.050) 1.037 25.848 ( -0.782 -0.680 -0.062) 1.038 39.532 ( 0.045 -1.078 -0.377) 1.143 39.575 ( -2.147 -2.148 0.287) 3.050 42.541 ( 0.291 0.208 0.201) 0.411 42.556 ( -0.206 -0.077 -0.154) 0.268 48.194 ( 0.641 7.853 0.440) 7.891 48.292 ( -1.314 4.794 -0.471) 4.993 48.661 ( -11.884 8.306 -0.076) 14.499 48.714 ( -11.947 6.395 0.136) 13.551 ======================= Grid point 310 (160/180) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( 4.980 12.072 5.435) 14.145 3.129 ( -3.406 9.347 -8.212) 12.900 3.272 ( 8.231 -3.837 3.569) 9.758 3.350 ( -13.590 -6.650 -2.800) 15.386 3.657 ( -6.500 -1.210 4.936) 8.251 3.765 ( 6.385 -0.619 -5.613) 8.524 3.943 ( 1.962 0.123 7.820) 8.063 4.091 ( -0.010 0.126 -7.077) 7.078 4.272 ( 3.220 -6.449 1.610) 7.386 4.318 ( -4.944 -9.563 -2.603) 11.076 4.459 ( -3.764 1.211 4.998) 6.373 4.538 ( 2.857 1.410 -2.102) 3.817 4.649 ( -0.106 0.238 -1.166) 1.194 4.675 ( 6.597 -2.286 -2.517) 7.421 5.010 ( -4.911 -0.160 6.014) 7.766 5.167 ( 2.767 -2.104 -10.427) 10.991 5.776 ( -3.228 0.110 10.857) 11.327 5.926 ( 2.230 -2.672 -3.492) 4.930 6.324 ( 1.588 1.457 2.448) 3.262 6.375 ( -0.073 -1.949 -2.727) 3.352 6.681 ( 1.943 -2.573 5.292) 6.197 6.771 ( -1.732 -2.001 -3.817) 4.644 7.124 ( -1.108 -1.277 2.234) 2.802 7.168 ( 0.253 -0.959 -2.454) 2.646 7.767 ( -3.706 1.918 -0.283) 4.183 7.772 ( 3.659 1.860 -0.728) 4.168 10.430 ( -0.132 -0.188 0.820) 0.851 10.449 ( -0.068 -0.789 -1.112) 1.365 13.965 ( 0.461 0.365 0.571) 0.820 13.975 ( -0.433 0.074 -0.437) 0.620 15.104 ( 0.991 0.096 1.265) 1.609 15.127 ( -0.973 -0.498 -1.009) 1.488 16.780 ( 0.025 1.158 0.321) 1.202 16.787 ( 0.013 1.114 -0.407) 1.186 22.195 ( -0.325 -0.430 0.516) 0.746 22.205 ( 0.333 -0.742 -0.538) 0.975 25.091 ( -0.134 -0.008 0.036) 0.138 25.092 ( 0.132 -0.048 -0.055) 0.150 25.826 ( 0.252 -0.317 0.243) 0.472 25.831 ( -0.274 -0.441 -0.230) 0.568 39.534 ( -0.837 -1.362 0.804) 1.790 39.550 ( 0.811 -1.740 -0.844) 2.097 42.546 ( 0.197 0.131 0.277) 0.364 42.552 ( -0.191 -0.002 -0.247) 0.312 48.239 ( 0.637 8.298 0.865) 8.367 48.255 ( -0.733 7.984 -0.686) 8.047 48.550 ( -0.920 4.990 0.425) 5.092 48.560 ( 1.028 4.792 -0.593) 4.936 ======================= Grid point 311 (161/180) ======================= q-point: (-0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( -13.318 12.778 -1.799) 18.544 3.016 ( -6.861 8.471 -4.372) 11.745 3.160 ( 0.722 1.420 3.570) 3.909 3.417 ( -0.061 -3.149 7.276) 7.928 3.517 ( -4.072 -0.908 0.311) 4.184 3.725 ( -7.742 0.904 2.813) 8.286 4.043 ( -2.838 2.152 -4.652) 5.859 4.085 ( 6.286 -3.722 0.021) 7.305 4.226 ( -4.771 -6.462 -0.386) 8.042 4.305 ( -1.417 -7.084 3.860) 8.191 4.410 ( 0.407 -3.719 0.200) 3.746 4.532 ( -1.397 0.669 0.028) 1.549 4.660 ( 0.168 3.170 -7.072) 7.752 4.788 ( 4.521 -4.069 -6.666) 9.024 4.932 ( -2.705 -0.855 8.067) 8.551 5.203 ( 1.435 -2.216 -7.438) 7.893 5.702 ( -4.738 0.400 9.338) 10.479 5.914 ( -3.977 -3.019 1.711) 5.278 6.228 ( -4.275 3.156 -6.359) 8.287 6.480 ( 4.450 -3.562 -0.215) 5.704 6.710 ( -3.483 -0.944 -3.576) 5.080 6.720 ( 1.238 -3.948 4.400) 6.040 7.083 ( -2.715 -0.609 3.222) 4.257 7.157 ( -1.109 -1.537 -1.558) 2.453 7.656 ( -6.426 3.117 -0.183) 7.145 7.819 ( 0.607 0.171 -0.542) 0.831 10.414 ( -0.958 0.002 0.365) 1.025 10.463 ( 0.962 -0.879 -0.215) 1.321 13.965 ( -0.431 0.234 -0.496) 0.697 13.974 ( 0.370 0.049 0.567) 0.679 15.078 ( -2.914 0.217 -0.549) 2.973 15.121 ( -0.349 -0.849 0.767) 1.196 16.769 ( -0.627 1.382 -0.049) 1.518 16.797 ( 0.498 0.699 -0.136) 0.869 22.193 ( 0.356 -0.158 0.276) 0.478 22.228 ( 1.654 -1.011 -0.317) 1.964 25.090 ( 0.074 0.074 0.010) 0.105 25.097 ( 0.326 -0.111 -0.025) 0.345 25.808 ( -1.073 -0.028 -0.013) 1.073 25.846 ( 0.776 -0.649 0.080) 1.015 39.520 ( -0.283 -0.667 0.638) 0.966 39.585 ( 2.321 -2.498 -0.617) 3.465 42.545 ( -0.285 0.110 -0.124) 0.330 42.553 ( 0.213 0.012 0.142) 0.256 48.198 ( -0.533 7.559 0.048) 7.578 48.284 ( 1.074 5.127 0.247) 5.244 48.661 ( 12.139 8.317 -0.148) 14.715 48.717 ( 11.860 6.341 -0.170) 13.450 ======================= Grid point 312 (162/180) ======================= q-point: (-0.36 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( -12.996 21.550 -1.899) 25.237 2.856 ( -7.726 12.689 -1.556) 14.938 3.198 ( -5.708 5.342 4.391) 8.966 3.266 ( -3.401 -0.732 -0.845) 3.580 3.500 ( -8.254 -0.584 2.297) 8.588 3.545 ( -4.103 -2.193 6.964) 8.375 3.941 ( -8.060 4.898 -0.515) 9.446 4.042 ( -5.264 1.602 0.269) 5.509 4.145 ( -5.152 -3.577 -0.686) 6.310 4.259 ( -5.146 -9.234 1.449) 10.670 4.394 ( -3.561 -3.082 0.140) 4.711 4.574 ( 3.466 -3.075 -4.966) 6.792 4.641 ( 1.300 1.274 -2.078) 2.762 4.848 ( 2.526 -7.250 -11.111) 13.505 4.918 ( 0.138 -2.512 6.013) 6.518 5.205 ( -1.078 -0.547 -0.127) 1.215 5.599 ( -6.285 0.555 7.140) 9.528 5.775 ( -8.506 -1.325 4.596) 9.759 6.157 ( -2.880 3.052 -9.932) 10.782 6.496 ( -3.088 -4.962 -3.264) 6.694 6.635 ( -3.324 1.009 -0.397) 3.496 6.780 ( 5.402 -6.270 1.627) 8.435 7.023 ( -3.751 -0.416 3.698) 5.283 7.125 ( -1.691 -2.339 -0.998) 3.054 7.528 ( -4.988 2.627 0.794) 5.693 7.801 ( -1.943 -1.131 -0.484) 2.300 10.398 ( -0.544 0.399 0.354) 0.762 10.482 ( 0.821 -0.952 0.279) 1.288 13.957 ( -0.256 0.188 -0.512) 0.603 13.981 ( 0.236 -0.332 0.471) 0.623 14.995 ( -5.112 0.719 -0.861) 5.234 15.094 ( -2.436 -2.077 1.041) 3.366 16.757 ( -0.524 1.456 -0.286) 1.574 16.805 ( 0.277 0.221 -0.003) 0.354 22.211 ( 1.307 0.125 0.219) 1.331 22.269 ( 2.263 -1.276 -0.267) 2.611 25.094 ( 0.249 0.147 -0.011) 0.290 25.104 ( 0.427 -0.142 0.004) 0.450 25.785 ( -1.076 0.359 0.014) 1.135 25.860 ( 0.491 -0.832 0.132) 0.975 39.525 ( 0.673 -0.005 0.863) 1.094 39.640 ( 2.992 -3.377 -0.742) 4.572 42.538 ( -0.365 0.193 -0.207) 0.462 42.557 ( 0.181 -0.081 0.212) 0.291 48.238 ( 4.258 6.409 0.284) 7.700 48.333 ( 4.101 3.375 -0.021) 5.311 49.001 ( 19.824 11.241 -0.353) 22.792 49.022 ( 17.440 9.733 -0.031) 19.972 ======================= Grid point 313 (163/180) ======================= q-point: (-0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -7.647 31.556 -1.517) 32.505 2.710 ( -6.156 16.614 4.236) 18.217 2.915 ( -16.710 7.377 -5.069) 18.956 3.216 ( -15.478 6.873 2.480) 17.116 3.310 ( 1.032 -4.398 1.375) 4.722 3.504 ( -2.723 -5.468 5.446) 8.183 3.734 ( -10.215 10.157 0.532) 14.415 3.944 ( -6.340 -0.603 -0.016) 6.369 4.018 ( -6.246 -2.040 2.585) 7.061 4.096 ( -9.283 -4.138 0.599) 10.182 4.263 ( -8.378 -2.212 -1.016) 8.724 4.538 ( -4.027 -1.046 -3.620) 5.515 4.697 ( 0.438 0.698 -13.042) 13.068 4.910 ( -1.902 -5.012 4.846) 7.226 4.930 ( 5.869 -11.245 -2.847) 13.000 5.163 ( -3.122 0.467 7.463) 8.103 5.428 ( -10.684 1.324 5.634) 12.151 5.622 ( -6.603 0.706 1.573) 6.824 6.058 ( -5.917 3.785 -7.815) 10.508 6.397 ( -5.090 -5.326 -0.755) 7.406 6.582 ( -1.356 0.664 -3.786) 4.076 6.879 ( -5.146 -1.942 0.202) 5.504 6.961 ( 5.258 -5.166 0.662) 7.401 7.099 ( -0.130 -2.352 0.953) 2.541 7.491 ( 1.729 -2.517 2.006) 3.654 7.761 ( -1.079 -0.792 -0.649) 1.488 10.393 ( 0.024 0.778 0.456) 0.902 10.497 ( 0.544 -0.830 0.629) 1.175 13.953 ( -0.073 -0.005 -0.472) 0.478 13.985 ( 0.181 -0.742 0.218) 0.794 14.864 ( -7.543 1.038 -0.920) 7.670 15.016 ( -5.349 -3.610 0.986) 6.528 16.746 ( -0.586 1.423 -0.614) 1.657 16.810 ( 0.271 -0.172 0.337) 0.466 22.244 ( 1.824 0.432 0.284) 1.896 22.319 ( 2.569 -1.500 -0.250) 2.986 25.100 ( 0.326 0.190 -0.040) 0.379 25.113 ( 0.415 -0.145 0.050) 0.442 25.765 ( -0.865 0.683 0.072) 1.104 25.867 ( 0.188 -0.940 0.163) 0.972 39.548 ( 1.470 0.563 1.319) 2.054 39.704 ( 3.139 -4.288 -1.028) 5.412 42.529 ( -0.409 0.302 -0.233) 0.559 42.560 ( 0.094 -0.196 0.223) 0.312 48.364 ( 7.530 5.577 1.111) 9.436 48.454 ( 7.445 2.918 -0.843) 8.041 49.412 ( 20.584 13.444 0.115) 24.585 49.470 ( 24.673 13.088 -0.782) 27.940 ======================= Grid point 314 (164/180) ======================= q-point: (-0.21 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -8.273 27.475 3.387) 28.892 2.530 ( -19.214 8.515 -9.783) 23.182 2.608 ( -6.201 19.873 9.379) 22.833 2.896 ( -12.088 12.401 -1.167) 17.357 3.293 ( -3.075 -3.332 -2.756) 5.306 3.443 ( -4.324 -2.058 3.081) 5.694 3.557 ( -6.623 17.414 0.805) 18.648 3.781 ( -8.351 -0.149 -1.566) 8.498 3.828 ( -10.468 -7.590 1.371) 13.003 3.978 ( -3.827 1.277 5.442) 6.774 4.069 ( -9.217 -4.437 -2.759) 10.595 4.444 ( -4.292 1.385 -1.962) 4.918 4.659 ( -2.196 2.598 -11.996) 12.469 4.813 ( -7.316 -4.045 3.860) 9.208 4.992 ( -4.984 -11.776 1.645) 12.892 5.076 ( -3.846 0.459 5.769) 6.949 5.244 ( -5.658 4.656 3.300) 8.036 5.465 ( -9.278 1.479 0.136) 9.396 5.929 ( -5.125 4.467 -3.412) 7.606 6.307 ( -3.631 -7.093 4.210) 9.012 6.558 ( -1.192 0.538 -7.467) 7.581 6.686 ( -10.437 -0.469 -2.923) 10.849 7.064 ( 3.181 -2.506 2.919) 4.992 7.184 ( 7.162 -2.283 1.165) 7.607 7.579 ( 5.254 -9.960 2.435) 11.521 7.806 ( 6.953 -1.781 -3.377) 7.932 10.400 ( 0.557 1.086 0.618) 1.368 10.505 ( 0.208 -0.544 0.820) 1.006 13.952 ( -0.032 -0.189 -0.438) 0.478 13.990 ( 0.259 -1.194 -0.089) 1.225 14.687 ( -9.292 1.142 -0.854) 9.401 14.872 ( -8.625 -4.971 0.678) 9.978 16.731 ( -0.710 1.465 -0.609) 1.738 16.817 ( 0.392 -0.445 0.601) 0.844 22.283 ( 1.832 0.814 0.604) 2.094 22.373 ( 2.578 -1.760 -0.296) 3.136 25.106 ( 0.313 0.200 -0.078) 0.380 25.121 ( 0.300 -0.140 0.105) 0.348 25.752 ( -0.281 0.859 0.152) 0.917 25.868 ( -0.048 -0.999 0.128) 1.008 39.587 ( 2.100 0.899 1.976) 3.020 39.764 ( 2.721 -5.129 -1.428) 5.979 42.521 ( -0.327 0.432 -0.246) 0.595 42.561 ( -0.075 -0.301 0.220) 0.380 48.535 ( 8.462 5.172 2.254) 10.170 48.626 ( 8.893 2.714 -1.892) 9.488 49.854 ( 21.770 16.671 1.027) 27.439 50.002 ( 26.446 13.580 -2.508) 29.834 ======================= Grid point 315 (165/180) ======================= q-point: (-0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -18.212 12.403 2.409) 22.165 2.123 ( -20.161 8.641 -2.540) 22.081 2.456 ( -5.247 21.187 8.181) 23.310 2.801 ( -0.220 16.109 -2.972) 16.382 3.194 ( -5.790 -2.039 -7.943) 10.039 3.277 ( -11.618 3.965 -0.162) 12.277 3.460 ( -3.484 17.695 3.424) 18.357 3.615 ( -6.981 -1.693 -2.964) 7.771 3.703 ( -0.606 6.339 -1.564) 6.557 3.878 ( -3.996 -8.347 -1.108) 9.320 3.976 ( -0.054 1.040 3.267) 3.428 4.326 ( -8.502 2.485 6.083) 10.746 4.596 ( -5.059 -0.515 -2.725) 5.770 4.654 ( -5.547 1.277 0.177) 5.695 4.798 ( -8.302 -4.364 -4.654) 10.470 4.985 ( -7.535 1.945 0.886) 7.833 5.161 ( -4.471 5.470 1.771) 7.283 5.239 ( -12.297 2.438 1.182) 12.592 5.866 ( -0.652 3.152 2.200) 3.899 6.256 ( -2.005 -7.725 7.843) 11.190 6.471 ( -8.991 -0.469 -4.167) 9.921 6.511 ( -2.935 -1.360 -10.472) 10.960 7.160 ( 5.473 -0.083 5.440) 7.717 7.312 ( 4.689 0.101 2.120) 5.147 7.699 ( 6.688 -9.371 4.373) 12.315 8.024 ( 12.751 -10.524 -9.447) 19.042 10.416 ( 0.955 1.291 0.845) 1.815 10.506 ( -0.190 -0.178 0.737) 0.782 13.951 ( 0.072 -0.270 -0.380) 0.472 13.995 ( 0.267 -1.648 -0.291) 1.695 14.493 ( -8.848 1.072 -0.747) 8.944 14.668 ( -10.798 -5.111 0.353) 11.952 16.720 ( -0.199 1.590 0.187) 1.613 16.824 ( 0.088 -0.557 0.310) 0.643 22.321 ( 1.754 1.075 1.295) 2.431 22.420 ( 1.964 -2.044 -0.570) 2.892 25.112 ( 0.292 0.176 -0.113) 0.359 25.126 ( 0.130 -0.135 0.133) 0.231 25.755 ( 0.594 0.813 0.309) 1.054 25.864 ( -0.353 -0.999 -0.061) 1.061 39.638 ( 2.540 0.677 2.816) 3.852 39.809 ( 1.720 -5.704 -1.991) 6.281 42.517 ( -0.024 0.524 -0.245) 0.578 42.557 ( -0.365 -0.306 0.214) 0.522 48.704 ( 7.346 5.086 3.069) 9.447 48.799 ( 7.611 2.436 -2.574) 8.395 50.291 ( 19.684 18.355 3.613) 27.155 50.525 ( 23.660 12.161 -6.629) 27.416 ======================= Grid point 316 (166/180) ======================= q-point: (-0.07 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -14.934 9.290 2.748) 17.801 1.722 ( -15.735 7.787 -3.419) 17.887 2.437 ( 1.439 20.107 14.280) 24.704 2.795 ( 0.063 10.281 -2.636) 10.613 3.008 ( -11.013 -2.149 -2.284) 11.451 3.067 ( -6.978 7.505 -12.260) 15.978 3.407 ( -1.908 4.943 3.932) 6.598 3.500 ( -3.482 -2.649 -5.373) 6.929 3.766 ( 4.350 13.490 -1.372) 14.241 3.852 ( 0.519 -6.574 -3.376) 7.409 4.050 ( 7.251 9.492 1.756) 12.073 4.141 ( -7.867 3.874 7.304) 11.413 4.391 ( -9.996 -0.485 6.161) 11.752 4.652 ( -7.179 5.761 -4.540) 10.264 4.676 ( 3.202 4.072 -1.919) 5.524 4.824 ( -4.812 2.338 -2.154) 5.767 4.982 ( -11.381 1.656 1.140) 11.558 5.038 ( -7.545 9.701 0.033) 12.290 5.901 ( 3.244 0.426 6.403) 7.191 6.233 ( -1.144 -7.263 9.955) 12.376 6.297 ( -7.010 -0.333 -7.030) 9.933 6.456 ( -1.304 -2.645 -11.590) 11.960 7.271 ( 4.264 1.092 6.815) 8.113 7.380 ( 1.718 1.505 2.887) 3.681 7.860 ( 7.553 -10.435 7.181) 14.748 8.236 ( 7.302 -16.126 -14.588) 22.939 10.439 ( 1.161 1.338 1.188) 2.133 10.498 ( -0.612 0.204 0.219) 0.681 13.957 ( 0.555 -0.415 -0.113) 0.702 13.997 ( -0.205 -1.845 -0.370) 1.893 14.346 ( -4.678 0.689 -0.600) 4.767 14.452 ( -9.348 -3.291 0.359) 9.917 16.729 ( 0.979 1.394 1.314) 2.152 16.818 ( -0.683 -0.350 -0.558) 0.949 22.359 ( 1.805 0.732 2.119) 2.878 22.447 ( 0.570 -2.080 -1.214) 2.475 25.118 ( 0.299 0.099 -0.112) 0.334 25.126 ( -0.071 -0.103 0.107) 0.165 25.776 ( 1.322 0.496 0.634) 1.548 25.851 ( -0.952 -0.823 -0.413) 1.324 39.693 ( 2.427 -0.424 3.776) 4.509 39.828 ( 0.282 -5.684 -2.846) 6.363 42.521 ( 0.429 0.453 -0.204) 0.656 42.546 ( -0.681 -0.108 0.189) 0.715 48.832 ( 4.516 4.993 3.520) 7.597 48.920 ( 4.111 2.282 -2.986) 5.569 50.639 ( 12.519 18.063 7.998) 23.387 50.919 ( 14.184 9.707 -12.639) 21.334 ======================= Grid point 317 (167/180) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -1.750 6.288 3.220) 7.278 1.670 ( 1.072 0.826 -2.860) 3.165 2.761 ( 1.873 4.834 4.080) 6.597 2.824 ( 0.145 -2.152 -2.308) 3.160 3.054 ( 1.212 14.655 3.475) 15.110 3.174 ( -3.015 11.887 -8.186) 14.745 3.299 ( -0.245 -5.511 3.432) 6.497 3.392 ( -1.964 -6.107 -5.951) 8.750 3.701 ( 0.307 -5.791 3.008) 6.533 3.734 ( 1.568 -6.635 -0.278) 6.824 4.143 ( 1.170 2.310 2.349) 3.496 4.182 ( -0.005 -1.373 -1.252) 1.858 4.569 ( -6.257 2.727 2.161) 7.159 4.588 ( -1.211 2.141 0.606) 2.533 4.765 ( 1.197 1.801 -1.636) 2.711 4.802 ( 3.472 -1.040 -4.537) 5.807 5.127 ( 3.201 10.244 1.846) 10.890 5.148 ( -1.499 8.608 -0.162) 8.740 6.047 ( 4.618 5.358 10.002) 12.251 6.117 ( 0.293 -0.988 9.786) 9.840 6.260 ( -3.059 4.258 -8.379) 9.884 6.368 ( -1.078 -4.046 -12.366) 13.055 7.370 ( 1.431 1.591 9.248) 9.493 7.413 ( -0.026 -1.009 8.031) 8.094 7.754 ( -0.007 -4.030 -2.118) 4.552 7.896 ( -2.142 -15.056 -13.186) 20.129 10.484 ( 0.187 0.843 1.030) 1.344 10.493 ( 0.050 -0.008 0.123) 0.133 13.959 ( 0.234 -0.320 0.033) 0.397 13.962 ( -0.333 -0.602 -0.244) 0.729 14.308 ( -0.598 0.011 0.363) 0.699 14.313 ( 0.434 -0.469 -0.155) 0.657 16.777 ( 0.714 0.861 0.898) 1.434 16.792 ( -0.387 -0.502 -0.582) 0.861 22.399 ( 0.432 0.517 0.801) 1.046 22.415 ( -0.312 -0.928 -0.717) 1.214 25.123 ( -0.086 0.019 0.020) 0.091 25.124 ( 0.085 -0.029 -0.032) 0.095 25.808 ( 0.301 0.314 0.619) 0.757 25.817 ( -0.354 -0.495 -0.290) 0.674 39.717 ( 0.178 0.180 1.381) 1.405 39.743 ( -0.175 -2.317 -1.218) 2.623 42.535 ( -0.229 0.127 0.062) 0.269 42.536 ( 0.208 0.032 -0.038) 0.214 48.964 ( 0.168 2.360 1.296) 2.697 48.986 ( -0.130 0.264 -0.890) 0.938 51.053 ( 0.005 8.353 3.415) 9.024 51.142 ( -0.128 -0.105 -5.598) 5.600 ======================= Grid point 318 (168/180) ======================= q-point: ( 0.07 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 14.071 8.065 2.868) 16.470 1.857 ( 15.936 -1.703 -2.026) 16.155 2.872 ( 7.908 2.601 1.442) 8.449 2.883 ( 5.365 1.385 -3.811) 6.724 3.063 ( -1.086 14.578 -0.881) 14.644 3.186 ( 5.614 11.246 0.498) 12.579 3.326 ( 2.799 -6.850 1.948) 7.652 3.373 ( 0.567 -8.020 -0.997) 8.102 3.716 ( 2.383 -0.767 0.322) 2.524 3.802 ( 3.899 -6.637 -1.001) 7.762 4.193 ( 0.400 5.362 5.541) 7.721 4.256 ( 5.706 -1.379 1.006) 5.956 4.495 ( 0.690 1.618 0.206) 1.771 4.540 ( 0.506 -2.374 1.000) 2.626 4.844 ( 1.519 7.858 -3.308) 8.660 4.902 ( 6.318 0.956 -2.587) 6.894 5.094 ( 1.827 9.260 -1.058) 9.497 5.235 ( 4.049 0.541 -0.524) 4.118 6.091 ( -1.837 3.185 -1.614) 4.016 6.133 ( 0.862 -0.193 8.890) 8.934 6.269 ( 4.919 4.969 -0.851) 7.043 6.378 ( 2.797 -3.882 -8.683) 9.914 7.351 ( -4.489 0.337 4.800) 6.581 7.379 ( -3.751 -0.711 6.700) 7.711 7.692 ( -5.432 -4.710 -1.176) 7.285 7.810 ( -4.171 -12.111 -7.434) 14.810 10.477 ( -0.632 1.358 0.362) 1.541 10.499 ( 0.249 -0.599 0.184) 0.675 13.953 ( -0.380 -0.042 -0.160) 0.414 13.961 ( -0.036 -0.810 0.146) 0.824 14.361 ( 5.682 1.457 0.284) 5.872 14.398 ( 7.040 -2.084 0.230) 7.346 16.781 ( -0.422 0.763 -0.742) 1.145 16.794 ( 0.568 -0.475 0.361) 0.824 22.395 ( -1.221 -0.045 -0.509) 1.324 22.399 ( -0.801 -0.443 0.347) 0.979 25.120 ( -0.164 0.187 0.011) 0.249 25.124 ( -0.022 -0.182 -0.018) 0.184 25.799 ( -0.673 0.952 0.086) 1.169 25.822 ( 0.382 -1.055 0.298) 1.160 39.706 ( -1.305 0.170 0.838) 1.561 39.732 ( -0.819 -2.253 -0.705) 2.499 42.530 ( -0.129 0.577 0.036) 0.593 42.541 ( 0.274 -0.432 0.023) 0.512 48.923 ( -4.198 2.105 1.141) 4.833 48.939 ( -4.229 0.527 -0.874) 4.350 50.928 ( -12.092 8.196 2.719) 14.859 51.005 ( -12.309 0.915 -4.232) 13.048 ======================= Grid point 319 (169/180) ======================= q-point: ( 0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 21.702 8.431 2.134) 23.380 2.258 ( 21.537 -2.301 -2.116) 21.763 2.981 ( 4.297 8.495 -7.530) 12.138 3.048 ( 4.965 7.868 -2.510) 9.636 3.082 ( 6.505 5.649 3.225) 9.199 3.318 ( 2.759 -3.517 2.614) 5.178 3.419 ( 10.299 -3.347 -0.623) 10.847 3.477 ( 8.506 -3.257 3.314) 9.692 3.808 ( 6.009 2.709 1.013) 6.669 3.887 ( 4.626 -2.623 -1.079) 5.426 4.157 ( -2.724 10.640 7.759) 13.447 4.319 ( 0.175 -5.684 9.362) 10.953 4.567 ( 0.654 6.884 -1.929) 7.179 4.645 ( 8.543 -1.350 -2.774) 9.083 4.845 ( 4.086 7.011 -8.493) 11.746 5.022 ( 4.133 -3.936 -2.922) 6.412 5.208 ( 7.153 4.024 0.954) 8.263 5.328 ( 6.168 -4.445 -1.564) 7.762 6.051 ( -1.336 3.927 -5.616) 6.982 6.147 ( 1.046 -5.582 1.321) 5.831 6.398 ( 5.289 3.818 3.803) 7.550 6.460 ( 5.951 -0.774 -0.971) 6.079 7.212 ( -8.534 -1.068 0.651) 8.626 7.257 ( -7.802 -4.461 1.939) 9.194 7.587 ( -3.605 1.489 0.249) 3.908 7.728 ( -3.296 -8.838 -0.460) 9.444 10.462 ( -0.779 1.953 -0.028) 2.102 10.500 ( -0.188 -1.398 -0.068) 1.412 13.948 ( -0.088 0.242 -0.003) 0.258 13.960 ( -0.001 -0.921 0.221) 0.947 14.521 ( 9.219 2.275 0.272) 9.500 14.579 ( 9.892 -3.245 0.444) 10.420 16.773 ( -0.211 1.513 -0.871) 1.759 16.803 ( 0.242 -1.246 0.002) 1.269 22.359 ( -2.049 0.445 -0.753) 2.228 22.374 ( -1.708 -0.954 0.462) 2.011 25.117 ( -0.214 0.286 0.002) 0.357 25.122 ( -0.166 -0.262 -0.012) 0.310 25.788 ( -0.321 1.796 0.044) 1.825 25.829 ( 0.251 -1.799 0.296) 1.840 39.670 ( -2.064 0.750 0.218) 2.207 39.706 ( -1.621 -2.614 -0.134) 3.079 42.530 ( 0.081 0.815 0.023) 0.819 42.546 ( 0.218 -0.704 0.058) 0.739 48.800 ( -7.495 2.222 0.734) 7.852 48.817 ( -7.216 0.498 -0.627) 7.260 50.585 ( -20.488 8.287 1.203) 22.133 50.651 ( -21.024 2.142 -1.923) 21.220 ======================= Grid point 320 (170/180) ======================= q-point: ( 0.21 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 20.492 8.633 2.520) 22.379 2.679 ( 18.247 2.047 -3.153) 18.630 3.068 ( 5.269 8.261 -5.575) 11.274 3.140 ( 5.444 13.103 0.617) 14.202 3.218 ( 4.700 -3.638 -2.019) 6.277 3.384 ( 4.769 -6.574 -0.623) 8.145 3.657 ( 9.335 0.134 3.860) 10.102 3.686 ( 11.431 -3.791 0.761) 12.067 3.922 ( 4.040 8.594 2.675) 9.866 4.013 ( 7.922 -0.586 0.209) 7.946 4.163 ( 3.655 7.606 3.863) 9.281 4.325 ( 0.174 -6.814 8.558) 10.940 4.486 ( -5.559 12.746 3.377) 14.310 4.764 ( 0.048 -9.639 -2.835) 10.048 4.971 ( 5.959 0.626 -10.224) 11.850 5.097 ( 5.279 -8.279 -6.543) 11.799 5.368 ( 8.371 5.743 1.909) 10.330 5.488 ( 8.401 -4.188 0.320) 9.393 6.034 ( 0.297 5.688 -4.620) 7.334 6.190 ( 3.113 -8.890 -3.547) 10.065 6.473 ( 2.285 4.736 6.019) 7.992 6.600 ( 5.948 -4.642 5.287) 9.213 7.039 ( -6.710 0.735 -0.875) 6.807 7.124 ( -3.961 -4.790 -2.726) 6.787 7.547 ( -0.496 4.781 1.361) 4.996 7.681 ( -1.053 -6.128 1.087) 6.312 10.446 ( -0.726 2.167 -0.275) 2.302 10.492 ( -0.557 -1.891 -0.316) 1.997 13.949 ( 0.126 0.392 0.129) 0.432 13.962 ( 0.173 -0.860 0.247) 0.911 14.718 ( 9.275 2.567 0.292) 9.628 14.783 ( 9.261 -3.568 0.444) 9.935 16.771 ( 0.128 1.691 -0.627) 1.808 16.805 ( 0.003 -1.364 -0.295) 1.396 22.312 ( -2.375 0.672 -0.511) 2.521 22.332 ( -2.279 -1.174 0.280) 2.579 25.111 ( -0.290 0.293 -0.017) 0.413 25.117 ( -0.318 -0.264 -0.005) 0.413 25.787 ( 0.177 2.081 0.030) 2.089 25.833 ( 0.187 -2.056 0.174) 2.072 39.625 ( -2.250 1.122 -0.051) 2.515 39.666 ( -2.187 -2.740 0.082) 3.506 42.533 ( 0.222 0.818 0.022) 0.848 42.550 ( 0.149 -0.736 0.059) 0.753 48.629 ( -8.702 2.593 0.491) 9.093 48.652 ( -8.316 0.292 -0.505) 8.337 50.119 ( -23.972 7.567 0.364) 25.141 50.166 ( -25.043 3.215 -0.562) 25.255 ======================= Grid point 321 (171/180) ======================= q-point: ( 0.29 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 9.233 16.162 3.959) 19.030 3.023 ( 15.121 3.657 -2.525) 15.761 3.125 ( 0.913 13.641 -1.244) 13.728 3.283 ( 4.172 -4.555 -4.072) 7.399 3.340 ( 10.633 0.146 -3.951) 11.344 3.490 ( 4.955 -6.538 -1.613) 8.360 3.802 ( 4.933 0.777 2.604) 5.632 3.880 ( 6.339 -5.637 2.636) 8.883 4.037 ( 7.932 9.491 -0.248) 12.372 4.173 ( 6.242 -1.491 0.024) 6.418 4.260 ( 2.859 7.603 -2.055) 8.379 4.374 ( 4.912 -3.518 5.110) 7.913 4.420 ( 0.212 3.243 11.227) 11.688 4.655 ( -8.235 -15.082 -2.278) 17.334 5.058 ( 3.404 3.255 -8.686) 9.880 5.182 ( 2.245 -6.926 -5.271) 8.988 5.545 ( 7.896 3.613 1.181) 8.763 5.644 ( 6.164 -4.290 2.052) 7.785 6.058 ( 2.359 8.006 -1.723) 8.523 6.255 ( 3.124 -9.193 -3.139) 10.204 6.538 ( 4.278 3.845 5.383) 7.878 6.674 ( 0.821 -8.571 5.707) 10.330 6.982 ( 1.256 4.899 -1.767) 5.357 7.089 ( 0.180 -4.391 -3.576) 5.666 7.569 ( 2.529 5.966 0.680) 6.516 7.691 ( 1.915 -4.620 0.835) 5.071 10.433 ( -0.492 1.981 -0.397) 2.080 10.477 ( -0.742 -1.999 -0.447) 2.179 13.953 ( 0.243 0.546 0.189) 0.626 13.967 ( 0.276 -0.783 0.198) 0.853 14.890 ( 7.204 2.402 0.332) 7.601 14.949 ( 6.663 -3.134 0.278) 7.369 16.776 ( 0.353 1.499 -0.336) 1.576 16.804 ( -0.011 -1.040 -0.349) 1.098 22.263 ( -2.255 0.703 -0.261) 2.377 22.284 ( -2.315 -1.199 0.164) 2.613 25.105 ( -0.351 0.244 -0.032) 0.429 25.110 ( -0.418 -0.221 0.006) 0.472 25.794 ( 0.462 1.863 0.006) 1.920 25.836 ( 0.070 -1.899 0.062) 1.902 39.580 ( -2.031 1.103 -0.155) 2.316 39.619 ( -2.336 -2.523 0.144) 3.441 42.538 ( 0.246 0.685 0.034) 0.729 42.553 ( 0.075 -0.618 0.032) 0.624 48.459 ( -7.351 3.051 0.346) 7.967 48.490 ( -7.013 0.099 -0.414) 7.026 49.623 ( -23.504 5.895 0.097) 24.232 49.645 ( -24.747 3.940 -0.072) 25.059 ======================= Grid point 322 (172/180) ======================= q-point: ( 0.36 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 4.203 22.420 6.062) 23.602 3.123 ( 1.427 9.574 -3.150) 10.180 3.256 ( 4.948 -3.413 0.030) 6.011 3.383 ( 6.927 -3.054 -7.954) 10.981 3.495 ( 3.685 -1.918 -4.100) 5.837 3.578 ( 3.248 -10.604 2.630) 11.398 3.881 ( 3.214 3.714 -0.438) 4.931 3.989 ( 4.820 -3.678 0.219) 6.067 4.185 ( 0.198 3.411 -2.481) 4.223 4.232 ( 5.894 4.723 -1.648) 7.731 4.337 ( 4.534 -1.462 0.314) 4.774 4.457 ( -0.996 -8.582 -1.201) 8.723 4.504 ( 3.529 -0.532 10.383) 10.979 4.526 ( 1.737 -3.408 4.202) 5.682 5.100 ( 1.608 3.120 -7.762) 8.519 5.180 ( -1.636 -3.177 -2.733) 4.498 5.682 ( 5.437 -0.071 0.285) 5.445 5.739 ( 2.812 -4.420 4.780) 7.091 6.128 ( 4.529 8.561 0.620) 9.705 6.314 ( 2.983 -7.612 1.108) 8.250 6.650 ( 5.265 0.299 0.652) 5.314 6.681 ( -0.211 -2.708 1.011) 2.899 7.037 ( 3.130 2.021 0.448) 3.753 7.100 ( 0.887 -3.280 -2.725) 4.355 7.649 ( 4.847 5.773 -0.098) 7.539 7.750 ( 3.248 -3.360 0.366) 4.687 10.426 ( -0.167 1.454 -0.397) 1.517 10.461 ( -0.773 -1.722 -0.471) 1.945 13.959 ( 0.318 0.628 0.211) 0.734 13.973 ( 0.224 -0.647 0.097) 0.692 15.012 ( 4.545 1.871 0.373) 4.929 15.056 ( 3.731 -2.282 0.071) 4.374 16.784 ( 0.432 1.212 -0.149) 1.295 16.804 ( 0.032 -0.584 -0.247) 0.635 22.222 ( -1.673 0.566 -0.106) 1.769 22.239 ( -1.936 -1.050 0.096) 2.205 25.097 ( -0.318 0.167 -0.036) 0.361 25.101 ( -0.400 -0.159 0.013) 0.431 25.804 ( 0.494 1.328 -0.003) 1.417 25.836 ( -0.134 -1.473 -0.000) 1.479 39.543 ( -1.459 0.742 -0.160) 1.644 39.573 ( -2.049 -2.023 0.127) 2.882 42.543 ( 0.200 0.502 0.054) 0.543 42.553 ( -0.001 -0.442 -0.007) 0.442 48.343 ( -3.586 3.505 0.221) 5.019 48.378 ( -3.455 0.140 -0.283) 3.470 49.166 ( -20.958 4.210 -0.032) 21.377 49.169 ( -20.328 3.835 0.101) 20.687 ======================= Grid point 323 (173/180) ======================= q-point: ( 0.43 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 2.481 10.463 1.894) 10.918 3.176 ( 2.827 11.118 2.143) 11.670 3.272 ( -2.141 -4.252 -3.251) 5.765 3.437 ( -2.418 -8.770 -0.039) 9.098 3.580 ( 5.905 0.843 -3.803) 7.074 3.633 ( 2.327 -5.137 0.270) 5.646 3.948 ( 3.040 5.246 -1.351) 6.211 4.066 ( 2.558 -1.114 -0.795) 2.902 4.147 ( -1.787 -2.341 -3.141) 4.306 4.223 ( -5.752 -8.552 -1.843) 10.470 4.458 ( 7.641 3.601 -0.101) 8.447 4.520 ( 5.564 -1.732 3.037) 6.572 4.557 ( 0.845 1.640 4.545) 4.905 4.597 ( 2.460 -2.130 1.982) 3.811 5.115 ( -0.256 1.355 -4.274) 4.490 5.130 ( -1.802 0.377 -3.391) 3.859 5.771 ( 1.404 -2.265 4.463) 5.198 5.778 ( 2.359 -3.178 2.404) 4.631 6.245 ( 6.378 6.503 1.748) 9.275 6.381 ( 2.991 -5.046 2.785) 6.494 6.658 ( -1.931 1.602 -1.055) 2.722 6.717 ( 0.750 -3.134 -2.453) 4.050 7.095 ( 2.128 0.309 1.273) 2.499 7.122 ( 1.447 -1.898 -1.796) 2.987 7.748 ( 4.321 3.904 -0.353) 5.834 7.805 ( 1.681 -1.324 0.033) 2.140 10.425 ( 0.121 0.694 -0.260) 0.751 10.445 ( -0.696 -1.127 -0.432) 1.393 13.966 ( 0.304 0.532 0.232) 0.655 13.976 ( 0.053 -0.394 -0.013) 0.398 15.081 ( 2.252 1.120 0.426) 2.551 15.107 ( 1.361 -1.320 -0.108) 1.899 16.793 ( 0.391 0.882 -0.040) 0.966 16.804 ( -0.043 -0.110 -0.161) 0.200 22.196 ( -0.767 0.234 -0.020) 0.802 22.206 ( -1.215 -0.701 0.028) 1.403 25.092 ( -0.169 0.076 -0.030) 0.187 25.094 ( -0.262 -0.087 0.010) 0.277 25.814 ( 0.435 0.631 0.011) 0.767 25.831 ( -0.316 -0.876 -0.025) 0.932 39.521 ( -0.601 0.127 -0.083) 0.620 39.537 ( -1.364 -1.321 0.047) 1.899 42.547 ( 0.145 0.306 0.078) 0.348 42.553 ( -0.062 -0.249 -0.045) 0.261 48.321 ( 1.391 3.890 0.149) 4.134 48.353 ( 0.952 0.795 -0.132) 1.248 48.793 ( -14.421 3.723 -0.034) 14.894 48.809 ( -14.155 2.141 0.032) 14.316 ======================= Grid point 324 (174/180) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 1.998 -1.041 -0.298) 2.272 3.173 ( -4.468 -1.766 -1.608) 5.066 3.253 ( 2.716 7.923 8.081) 11.638 3.363 ( -4.272 1.686 0.446) 4.614 3.622 ( -1.463 0.230 -0.605) 1.600 3.703 ( 3.211 -4.778 -5.903) 8.245 3.982 ( -0.486 3.787 4.283) 5.737 4.088 ( -0.071 -0.737 -6.207) 6.251 4.116 ( -3.256 -6.686 0.354) 7.445 4.151 ( 2.976 -4.821 -3.020) 6.420 4.504 ( -3.579 2.562 6.636) 7.963 4.556 ( -1.972 -1.664 5.013) 5.638 4.641 ( 5.984 1.330 -5.723) 8.386 4.668 ( 4.646 -0.342 -4.801) 6.690 5.059 ( -3.401 3.832 2.056) 5.520 5.128 ( 0.280 -2.217 -5.186) 5.647 5.765 ( -1.628 0.209 6.660) 6.860 5.825 ( 1.028 -5.181 0.888) 5.356 6.374 ( 5.141 3.279 1.994) 6.415 6.407 ( -1.310 1.825 -1.425) 2.660 6.627 ( -0.339 -0.751 2.348) 2.488 6.689 ( -2.218 -4.935 -3.696) 6.552 7.117 ( -0.250 0.608 1.242) 1.405 7.141 ( 0.118 -1.445 -1.277) 1.932 7.808 ( -1.354 1.414 -0.087) 1.960 7.811 ( 1.369 1.166 -0.377) 1.837 10.428 ( -0.125 0.056 0.149) 0.203 10.434 ( -0.085 -0.551 -0.493) 0.744 13.971 ( 0.179 0.260 0.250) 0.403 13.975 ( -0.155 -0.064 -0.096) 0.194 15.109 ( 0.326 0.313 0.532) 0.698 15.117 ( -0.311 -0.444 -0.285) 0.613 16.799 ( 0.011 0.559 0.101) 0.568 16.802 ( -0.008 0.260 -0.240) 0.354 22.189 ( -0.102 -0.060 0.174) 0.210 22.193 ( 0.118 -0.396 -0.186) 0.453 25.091 ( -0.047 0.003 0.004) 0.047 25.091 ( 0.046 -0.022 -0.021) 0.055 25.822 ( 0.091 -0.064 0.093) 0.146 25.824 ( -0.116 -0.221 -0.077) 0.262 39.516 ( -0.260 -0.297 0.297) 0.494 39.522 ( 0.252 -0.862 -0.322) 0.954 42.549 ( 0.083 0.115 0.107) 0.178 42.551 ( -0.079 -0.061 -0.084) 0.130 48.368 ( 0.090 3.432 0.443) 3.462 48.374 ( -0.244 2.880 -0.166) 2.895 48.628 ( -0.232 2.079 0.065) 2.093 48.632 ( 0.396 1.713 -0.340) 1.791 ======================= Grid point 325 (175/180) ======================= q-point: (-0.43 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( -3.193 5.695 1.040) 6.611 3.182 ( 0.461 -0.207 2.589) 2.638 3.260 ( -5.667 6.853 1.089) 8.959 3.322 ( 2.024 -2.277 7.573) 8.163 3.549 ( -5.044 4.497 -2.825) 7.325 3.697 ( -3.574 -5.243 -2.162) 6.704 3.956 ( -0.901 -2.262 -1.563) 2.893 4.048 ( -2.623 -8.178 -0.320) 8.595 4.130 ( 2.750 3.930 -1.843) 5.139 4.214 ( 1.652 -3.705 -0.730) 4.122 4.401 ( -5.845 2.975 3.596) 7.480 4.489 ( -4.079 -4.326 2.921) 6.624 4.719 ( 1.950 2.065 -9.374) 9.795 4.743 ( 2.751 -0.593 -7.908) 8.394 4.990 ( -3.355 5.478 5.900) 8.722 5.122 ( -0.595 -5.779 -1.077) 5.908 5.720 ( -3.203 2.449 5.484) 6.807 5.814 ( -2.403 -5.640 2.704) 6.700 6.328 ( -4.562 5.869 -6.447) 9.840 6.436 ( -0.470 -2.731 -1.588) 3.194 6.629 ( 0.341 -1.612 2.594) 3.073 6.666 ( 0.029 -3.262 1.368) 3.538 7.089 ( -2.385 1.028 1.411) 2.955 7.120 ( -1.888 -1.794 -1.214) 2.874 7.745 ( -4.405 4.288 -0.006) 6.147 7.809 ( -1.591 -1.587 -0.282) 2.265 10.421 ( -0.316 0.681 0.148) 0.766 10.441 ( 0.499 -1.128 -0.021) 1.234 13.970 ( -0.295 0.235 -0.145) 0.404 13.974 ( 0.006 -0.102 0.238) 0.258 15.087 ( -2.227 0.617 -0.080) 2.312 15.103 ( -1.342 -0.818 0.290) 1.599 16.793 ( -0.389 0.829 -0.048) 0.918 16.803 ( 0.003 -0.096 -0.109) 0.146 22.195 ( 0.758 0.372 0.069) 0.847 22.208 ( 1.251 -0.829 -0.114) 1.505 25.092 ( 0.169 0.100 -0.005) 0.196 25.094 ( 0.260 -0.109 -0.009) 0.282 25.814 ( -0.465 0.593 0.021) 0.754 25.830 ( 0.297 -0.841 0.055) 0.894 39.518 ( 0.525 0.485 0.230) 0.751 39.541 ( 1.423 -1.659 -0.231) 2.198 42.548 ( -0.143 0.184 -0.046) 0.238 42.551 ( 0.069 -0.130 0.061) 0.159 48.321 ( -1.399 3.726 0.163) 3.983 48.350 ( -1.013 0.960 0.154) 1.404 48.794 ( 14.509 3.764 -0.166) 14.990 48.811 ( 14.168 2.097 -0.182) 14.323 ======================= Grid point 326 (176/180) ======================= q-point: (-0.36 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -0.198 13.381 2.971) 13.709 3.112 ( -7.735 12.686 1.067) 14.896 3.199 ( -0.567 -3.698 5.067) 6.298 3.294 ( -6.161 -0.991 0.254) 6.245 3.437 ( -5.104 1.994 0.797) 5.537 3.570 ( -8.035 -1.992 2.139) 8.550 3.944 ( -1.083 -4.669 -4.937) 6.881 3.985 ( -3.390 -5.758 -0.597) 6.709 4.152 ( -3.060 3.171 0.629) 4.451 4.181 ( -2.681 3.442 2.418) 4.988 4.310 ( -3.572 -1.357 1.514) 4.110 4.437 ( -0.025 -8.784 0.705) 8.812 4.705 ( -1.835 3.593 -11.739) 12.413 4.758 ( -0.181 -2.031 -13.296) 13.452 4.938 ( -2.525 4.487 8.685) 10.096 5.098 ( -2.118 -8.739 5.022) 10.299 5.645 ( -4.500 4.049 3.909) 7.206 5.734 ( -5.271 -3.319 4.359) 7.603 6.225 ( -4.828 4.624 -8.187) 10.570 6.363 ( -5.474 -7.185 -3.453) 9.671 6.652 ( -0.793 0.343 0.697) 1.110 6.671 ( 2.711 -2.561 2.620) 4.557 7.031 ( -3.327 1.216 1.488) 3.842 7.072 ( -2.412 -2.480 -0.902) 3.575 7.643 ( -4.906 6.530 0.442) 8.179 7.756 ( -3.089 -3.697 -0.169) 4.821 10.418 ( 0.023 1.413 0.337) 1.453 10.453 ( 0.604 -1.705 0.310) 1.835 13.963 ( -0.304 0.399 -0.181) 0.534 13.972 ( -0.121 -0.438 0.166) 0.484 15.018 ( -4.541 1.408 -0.212) 4.759 15.053 ( -3.657 -1.833 0.391) 4.110 16.784 ( -0.448 1.065 -0.138) 1.164 16.801 ( -0.163 -0.512 -0.010) 0.538 22.220 ( 1.631 0.767 0.034) 1.803 22.242 ( 1.971 -1.220 -0.117) 2.321 25.097 ( 0.322 0.187 -0.012) 0.373 25.101 ( 0.391 -0.175 0.002) 0.429 25.804 ( -0.522 1.305 0.059) 1.407 25.835 ( 0.127 -1.456 0.099) 1.465 39.538 ( 1.369 1.254 0.306) 1.881 39.578 ( 2.123 -2.487 -0.271) 3.282 42.544 ( -0.203 0.394 -0.074) 0.450 42.552 ( 0.018 -0.340 0.079) 0.349 48.343 ( 3.519 3.321 0.268) 4.846 48.374 ( 3.493 0.333 0.026) 3.509 49.168 ( 20.756 4.224 -0.181) 21.182 49.172 ( 20.620 3.799 -0.228) 20.968 ======================= Grid point 327 (177/180) ======================= q-point: (-0.29 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -11.183 12.479 2.224) 16.904 3.026 ( -10.364 6.893 -2.264) 12.651 3.073 ( -5.709 10.150 1.944) 11.806 3.211 ( -1.365 -2.664 3.213) 4.391 3.293 ( -9.216 1.756 1.536) 9.507 3.425 ( -4.941 -3.954 4.020) 7.497 3.875 ( -4.522 -1.348 -4.437) 6.477 3.896 ( -6.383 -4.202 -0.276) 7.647 4.035 ( -5.638 9.749 -0.051) 11.262 4.152 ( -1.274 5.299 1.409) 5.629 4.201 ( -7.495 1.006 3.111) 8.177 4.470 ( 1.427 -10.126 -2.812) 10.605 4.670 ( 0.596 -0.060 -8.103) 8.125 4.731 ( -0.415 -4.620 -13.131) 13.927 4.882 ( -4.109 2.483 7.480) 8.888 5.033 ( -5.008 -10.161 9.215) 14.603 5.530 ( -7.060 6.164 3.170) 9.893 5.621 ( -6.130 -1.772 3.111) 7.099 6.104 ( -6.152 2.500 -5.279) 8.483 6.230 ( -6.645 -8.557 -0.656) 10.854 6.640 ( 0.154 4.143 -4.063) 5.805 6.754 ( 3.792 -6.883 -1.019) 7.924 6.954 ( -3.291 3.147 0.882) 4.639 7.032 ( -1.006 -3.719 1.071) 3.999 7.567 ( -2.095 6.928 0.866) 7.290 7.703 ( -1.424 -4.962 -0.273) 5.170 10.423 ( 0.405 1.913 0.551) 2.031 10.466 ( 0.634 -1.959 0.598) 2.145 13.958 ( -0.229 0.409 -0.221) 0.518 13.969 ( -0.154 -0.694 0.019) 0.711 14.897 ( -7.212 2.044 -0.262) 7.501 14.948 ( -6.552 -2.828 0.377) 7.146 16.775 ( -0.475 1.268 -0.208) 1.370 16.798 ( -0.120 -0.895 0.201) 0.925 22.260 ( 2.135 1.044 0.047) 2.377 22.287 ( 2.358 -1.463 -0.133) 2.778 25.105 ( 0.363 0.248 -0.021) 0.440 25.110 ( 0.401 -0.218 0.019) 0.457 25.793 ( -0.482 1.870 0.106) 1.934 25.835 ( -0.047 -1.917 0.138) 1.923 39.573 ( 1.943 1.798 0.446) 2.684 39.625 ( 2.413 -3.129 -0.367) 3.968 42.539 ( -0.248 0.600 -0.085) 0.654 42.552 ( -0.059 -0.542 0.076) 0.551 48.457 ( 7.148 3.031 0.555) 7.784 48.488 ( 7.194 0.135 -0.239) 7.199 49.625 ( 23.481 6.044 -0.074) 24.246 49.651 ( 24.908 3.733 -0.551) 25.192 ======================= Grid point 328 (178/180) ======================= q-point: (-0.21 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -19.013 8.000 0.595) 20.636 2.673 ( -19.722 2.889 -3.103) 20.172 2.966 ( -6.722 13.220 3.614) 15.264 3.127 ( -5.800 6.557 2.282) 9.047 3.186 ( -2.551 -3.307 1.549) 4.455 3.364 ( -1.761 -8.191 1.366) 8.489 3.708 ( -11.151 0.051 -2.508) 11.429 3.751 ( -7.020 -1.998 -4.997) 8.846 3.943 ( -4.381 5.714 0.427) 7.213 3.991 ( -11.066 -0.838 2.698) 11.421 4.184 ( 4.085 21.621 0.488) 22.009 4.458 ( -1.950 -1.508 -3.180) 4.024 4.675 ( -0.187 -0.489 -12.188) 12.199 4.722 ( -4.187 -6.362 9.333) 12.046 4.793 ( -3.545 -1.613 -3.401) 5.171 4.937 ( -2.411 -11.828 8.705) 14.882 5.373 ( -7.993 6.157 1.993) 10.284 5.468 ( -9.109 -2.138 1.757) 9.520 5.988 ( -4.182 2.454 -0.150) 4.851 6.113 ( -4.302 -9.184 3.176) 10.628 6.620 ( -2.439 4.853 -7.441) 9.212 6.710 ( -6.970 -1.139 -5.121) 8.724 7.000 ( 6.461 -0.580 3.104) 7.191 7.072 ( 5.579 -5.476 2.163) 8.111 7.563 ( 1.523 5.833 -0.054) 6.029 7.713 ( 2.636 -6.802 -1.863) 7.529 10.435 ( 0.712 2.099 0.746) 2.339 10.479 ( 0.563 -1.848 0.807) 2.094 13.953 ( -0.146 0.352 -0.266) 0.464 13.967 ( -0.090 -0.898 -0.158) 0.916 14.724 ( -9.297 2.331 -0.272) 9.589 14.784 ( -9.184 -3.455 0.290) 9.817 16.765 ( -0.421 1.647 -0.063) 1.701 16.798 ( 0.048 -1.350 0.364) 1.399 22.305 ( 2.166 1.280 0.165) 2.521 22.336 ( 2.359 -1.634 -0.162) 2.874 25.112 ( 0.308 0.270 -0.031) 0.411 25.117 ( 0.304 -0.234 0.038) 0.386 25.786 ( -0.200 2.148 0.153) 2.163 25.834 ( -0.115 -2.149 0.141) 2.157 39.617 ( 2.179 1.983 0.622) 3.012 39.673 ( 2.256 -3.464 -0.499) 4.164 42.534 ( -0.220 0.750 -0.091) 0.787 42.550 ( -0.143 -0.681 0.069) 0.699 48.623 ( 8.425 2.961 0.890) 8.974 48.655 ( 8.588 -0.044 -0.516) 8.604 50.119 ( 23.832 7.914 0.235) 25.113 50.175 ( 25.354 2.725 -1.304) 25.534 ======================= Grid point 329 (179/180) ======================= q-point: (-0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -21.171 5.970 -1.747) 22.066 2.235 ( -21.686 1.507 -0.492) 21.744 2.854 ( -4.471 14.797 4.867) 16.206 3.003 ( -6.327 2.456 1.526) 6.957 3.121 ( -3.789 1.581 -0.670) 4.160 3.341 ( -0.799 -10.672 0.185) 10.704 3.468 ( -10.798 4.914 -5.474) 13.066 3.591 ( -7.262 -4.115 -7.287) 11.080 3.780 ( -8.197 1.448 3.788) 9.145 3.851 ( -4.723 -2.301 2.495) 5.816 4.296 ( 4.384 17.648 -5.730) 19.066 4.367 ( -7.313 1.614 5.551) 9.322 4.556 ( -7.821 2.041 7.985) 11.362 4.678 ( -1.376 -4.629 -9.966) 11.075 4.730 ( 1.503 6.698 -2.694) 7.374 4.950 ( -1.059 -6.890 3.742) 7.912 5.217 ( -7.806 1.903 0.436) 8.046 5.273 ( -7.657 -1.893 3.522) 8.638 5.939 ( -0.785 3.454 4.476) 5.707 6.064 ( -0.894 -8.564 6.662) 10.887 6.525 ( -6.198 3.301 -6.011) 9.244 6.546 ( -6.678 2.558 -8.882) 11.403 7.153 ( 7.435 0.378 5.442) 9.222 7.227 ( 7.537 -6.408 4.829) 11.008 7.622 ( 4.101 4.180 -2.813) 6.496 7.800 ( 5.499 -10.768 -6.239) 13.605 10.452 ( 0.854 1.944 0.882) 2.299 10.490 ( 0.346 -1.400 0.852) 1.675 13.951 ( -0.011 0.305 -0.269) 0.407 13.966 ( 0.004 -1.070 -0.273) 1.104 14.527 ( -9.246 2.087 -0.244) 9.482 14.582 ( -9.951 -3.228 0.201) 10.464 16.759 ( -0.081 2.001 0.369) 2.036 16.799 ( 0.058 -1.662 0.284) 1.687 22.347 ( 1.838 1.430 0.412) 2.365 22.381 ( 1.864 -1.732 -0.255) 2.557 25.117 ( 0.228 0.238 -0.041) 0.332 25.122 ( 0.164 -0.213 0.046) 0.272 25.786 ( 0.260 1.982 0.221) 2.011 25.831 ( -0.153 -2.033 0.069) 2.040 39.661 ( 2.026 1.700 0.834) 2.773 39.714 ( 1.664 -3.406 -0.677) 3.851 42.531 ( -0.079 0.751 -0.088) 0.760 42.546 ( -0.231 -0.651 0.063) 0.693 48.790 ( 7.348 2.940 1.117) 7.993 48.823 ( 7.389 -0.171 -0.678) 7.422 50.582 ( 20.214 8.964 1.084) 22.139 50.665 ( 21.393 1.216 -2.793) 21.608 ======================= Grid point 330 (180/180) ======================= q-point: (-0.07 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -15.085 5.140 0.310) 15.939 1.832 ( -15.534 1.971 -1.467) 15.727 2.779 ( -3.201 9.781 5.539) 11.687 2.881 ( -5.008 -1.881 -0.453) 5.369 3.055 ( -1.804 10.869 0.098) 11.018 3.280 ( -6.579 8.972 -7.675) 13.516 3.317 ( -1.497 -8.126 1.191) 8.348 3.465 ( -4.252 -5.344 -7.851) 10.406 3.683 ( -1.224 -2.465 3.637) 4.561 3.767 ( -3.415 -6.232 2.444) 7.515 4.202 ( -6.800 2.974 4.745) 8.809 4.258 ( -6.100 -1.509 0.430) 6.299 4.531 ( 3.915 10.792 -3.623) 12.039 4.650 ( -0.629 -2.763 -7.401) 7.925 4.783 ( -0.368 6.028 1.700) 6.274 4.860 ( -5.695 -0.760 0.977) 5.828 5.064 ( -2.818 8.688 1.579) 9.269 5.205 ( -1.998 0.264 2.499) 3.210 5.962 ( 2.367 4.697 7.842) 9.443 6.082 ( 1.454 -6.155 9.613) 11.506 6.373 ( -6.615 4.980 -7.517) 11.184 6.435 ( -3.938 -0.434 -10.679) 11.390 7.293 ( 5.097 1.396 8.266) 9.811 7.360 ( 4.354 -4.106 8.532) 10.422 7.709 ( 4.086 0.659 -4.633) 6.212 7.893 ( 3.428 -14.593 -11.150) 18.682 10.470 ( 0.793 1.443 0.946) 1.899 10.494 ( 0.009 -0.686 0.641) 0.939 13.953 ( 0.230 0.149 -0.152) 0.313 13.966 ( -0.023 -1.048 -0.283) 1.085 14.366 ( -5.742 1.208 -0.171) 5.870 14.398 ( -7.218 -1.965 0.177) 7.482 16.764 ( 0.442 1.796 0.809) 2.019 16.799 ( -0.159 -1.406 -0.075) 1.417 22.380 ( 1.278 1.215 0.686) 1.892 22.409 ( 0.877 -1.538 -0.461) 1.829 25.121 ( 0.164 0.135 -0.042) 0.216 25.124 ( 0.027 -0.133 0.034) 0.140 25.796 ( 0.588 1.291 0.360) 1.463 25.826 ( -0.344 -1.441 -0.079) 1.483 39.699 ( 1.393 0.972 1.110) 2.029 39.739 ( 0.737 -2.943 -0.938) 3.176 42.531 ( 0.121 0.505 -0.067) 0.523 42.541 ( -0.299 -0.366 0.058) 0.476 48.915 ( 4.352 2.735 1.245) 5.288 48.944 ( 4.136 -0.062 -0.781) 4.210 50.923 ( 11.920 8.925 2.449) 15.091 51.018 ( 12.366 -0.046 -4.684) 13.223 =================== 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 3/30240 10.0 131.195 172.337 169.293 0.000 34.025 0.000 3/30240 20.0 39.428 47.669 41.473 0.000 8.224 0.000 3/30240 30.0 20.607 23.388 17.327 0.000 3.631 0.000 3/30240 40.0 13.672 14.775 9.939 0.000 2.098 0.000 3/30240 50.0 10.193 10.597 6.821 0.000 1.392 0.000 3/30240 60.0 8.122 8.203 5.191 0.000 1.010 0.000 3/30240 70.0 6.753 6.679 4.208 0.000 0.782 0.000 3/30240 80.0 5.785 5.632 3.554 0.000 0.634 0.000 3/30240 90.0 5.064 4.873 3.086 0.000 0.533 0.000 3/30240 100.0 4.507 4.298 2.733 0.000 0.459 0.000 3/30240 110.0 4.064 3.846 2.457 0.000 0.404 0.000 3/30240 120.0 3.704 3.483 2.234 0.000 0.361 0.000 3/30240 130.0 3.404 3.185 2.050 0.000 0.327 0.000 3/30240 140.0 3.152 2.935 1.896 0.000 0.299 0.000 3/30240 150.0 2.935 2.722 1.764 0.000 0.275 0.000 3/30240 160.0 2.748 2.539 1.650 0.000 0.255 0.000 3/30240 170.0 2.585 2.380 1.550 0.000 0.238 0.000 3/30240 180.0 2.440 2.240 1.463 0.000 0.224 0.000 3/30240 190.0 2.312 2.116 1.385 0.000 0.211 0.000 3/30240 200.0 2.197 2.006 1.316 0.000 0.199 0.000 3/30240 210.0 2.094 1.907 1.253 0.000 0.189 0.000 3/30240 220.0 2.000 1.818 1.197 0.000 0.180 0.000 3/30240 230.0 1.915 1.738 1.145 0.000 0.172 0.000 3/30240 240.0 1.838 1.664 1.098 0.000 0.164 0.000 3/30240 250.0 1.767 1.598 1.055 0.000 0.158 0.000 3/30240 260.0 1.702 1.537 1.016 0.000 0.151 0.000 3/30240 270.0 1.643 1.481 0.979 0.000 0.146 0.000 3/30240 280.0 1.588 1.429 0.946 0.000 0.141 0.000 3/30240 290.0 1.538 1.382 0.915 0.000 0.136 0.000 3/30240 300.0 1.491 1.339 0.886 0.000 0.131 0.000 3/30240 310.0 1.449 1.298 0.859 0.000 0.127 0.000 3/30240 320.0 1.409 1.261 0.833 0.000 0.123 0.000 3/30240 330.0 1.372 1.227 0.810 0.000 0.120 0.000 3/30240 340.0 1.338 1.195 0.788 0.000 0.116 0.000 3/30240 350.0 1.307 1.165 0.767 0.000 0.113 0.000 3/30240 360.0 1.278 1.138 0.748 0.000 0.110 0.000 3/30240 370.0 1.251 1.112 0.729 0.000 0.107 0.000 3/30240 380.0 1.226 1.088 0.712 0.000 0.105 0.000 3/30240 390.0 1.202 1.066 0.696 0.000 0.102 0.000 3/30240 400.0 1.180 1.045 0.680 0.000 0.100 0.000 3/30240 410.0 1.160 1.026 0.666 0.000 0.098 0.000 3/30240 420.0 1.141 1.008 0.652 0.000 0.096 0.000 3/30240 430.0 1.123 0.991 0.639 0.000 0.094 0.000 3/30240 440.0 1.107 0.975 0.626 0.000 0.092 0.000 3/30240 450.0 1.091 0.959 0.615 0.000 0.090 0.000 3/30240 460.0 1.076 0.945 0.603 0.000 0.088 0.000 3/30240 470.0 1.062 0.932 0.593 0.000 0.086 0.000 3/30240 480.0 1.049 0.919 0.582 0.000 0.085 0.000 3/30240 490.0 1.037 0.907 0.572 0.000 0.083 0.000 3/30240 500.0 1.025 0.896 0.563 0.000 0.082 0.000 3/30240 510.0 1.014 0.885 0.554 0.000 0.080 0.000 3/30240 520.0 1.004 0.874 0.545 0.000 0.079 0.000 3/30240 530.0 0.994 0.865 0.537 0.000 0.078 0.000 3/30240 540.0 0.984 0.855 0.529 0.000 0.077 0.000 3/30240 550.0 0.975 0.846 0.521 0.000 0.075 0.000 3/30240 560.0 0.966 0.838 0.514 0.000 0.074 0.000 3/30240 570.0 0.958 0.829 0.506 0.000 0.073 0.000 3/30240 580.0 0.950 0.821 0.499 0.000 0.072 0.000 3/30240 590.0 0.942 0.814 0.493 0.000 0.071 0.000 3/30240 600.0 0.934 0.806 0.486 0.000 0.070 0.000 3/30240 610.0 0.927 0.799 0.480 0.000 0.069 0.000 3/30240 620.0 0.920 0.792 0.474 0.000 0.068 0.000 3/30240 630.0 0.913 0.785 0.468 0.000 0.067 0.000 3/30240 640.0 0.906 0.779 0.462 0.000 0.066 0.000 3/30240 650.0 0.900 0.772 0.457 0.000 0.065 0.000 3/30240 660.0 0.893 0.766 0.451 0.000 0.065 0.000 3/30240 670.0 0.887 0.760 0.446 0.000 0.064 0.000 3/30240 680.0 0.881 0.754 0.441 0.000 0.063 0.000 3/30240 690.0 0.875 0.748 0.436 0.000 0.062 0.000 3/30240 700.0 0.869 0.743 0.431 0.000 0.062 0.000 3/30240 710.0 0.864 0.737 0.426 0.000 0.061 0.000 3/30240 720.0 0.858 0.732 0.422 0.000 0.060 0.000 3/30240 730.0 0.853 0.726 0.417 0.000 0.059 0.000 3/30240 740.0 0.847 0.721 0.413 0.000 0.059 0.000 3/30240 750.0 0.842 0.716 0.409 0.000 0.058 0.000 3/30240 760.0 0.837 0.711 0.405 0.000 0.057 0.000 3/30240 770.0 0.831 0.706 0.400 0.000 0.057 0.000 3/30240 780.0 0.826 0.701 0.397 0.000 0.056 0.000 3/30240 790.0 0.821 0.696 0.393 0.000 0.056 0.000 3/30240 800.0 0.816 0.692 0.389 0.000 0.055 0.000 3/30240 810.0 0.811 0.687 0.385 0.000 0.054 0.000 3/30240 820.0 0.806 0.682 0.381 0.000 0.054 0.000 3/30240 830.0 0.802 0.678 0.378 0.000 0.053 0.000 3/30240 840.0 0.797 0.673 0.374 0.000 0.053 0.000 3/30240 850.0 0.792 0.669 0.371 0.000 0.052 0.000 3/30240 860.0 0.787 0.665 0.367 0.000 0.052 0.000 3/30240 870.0 0.783 0.660 0.364 0.000 0.051 0.000 3/30240 880.0 0.778 0.656 0.361 0.000 0.051 0.000 3/30240 890.0 0.774 0.652 0.358 0.000 0.050 0.000 3/30240 900.0 0.769 0.648 0.355 0.000 0.050 0.000 3/30240 910.0 0.765 0.644 0.351 0.000 0.049 0.000 3/30240 920.0 0.760 0.640 0.348 0.000 0.049 0.000 3/30240 930.0 0.756 0.636 0.345 0.000 0.048 0.000 3/30240 940.0 0.752 0.632 0.343 0.000 0.048 0.000 3/30240 950.0 0.748 0.628 0.340 0.000 0.048 0.000 3/30240 960.0 0.743 0.624 0.337 0.000 0.047 0.000 3/30240 970.0 0.739 0.620 0.334 0.000 0.047 0.000 3/30240 980.0 0.735 0.616 0.331 0.000 0.046 0.000 3/30240 990.0 0.731 0.613 0.329 0.000 0.046 0.000 3/30240 1000.0 0.727 0.609 0.326 0.000 0.046 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m1495.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:19:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|