----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:45:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.316235240102547 0.000000000000000 0.000000000000000 b 0.000000000000000 9.220062990000002 0.000000000000000 c -1.131378159658373 0.000000000000000 5.929588482940986 Atomic positions (fractional): *1 Na 0.25680393012545 0.24035587124968 0.53599846892325 22.990 2 Na 0.74319606987455 0.74035587124968 0.96400153107675 22.990 3 Na 0.74319606987455 0.75964412875032 0.46400153107675 22.990 4 Na 0.25680393012545 0.25964412875032 0.03599846892325 22.990 *5 Sr 0.75383992261762 0.41397970901222 0.28536579485922 87.620 6 Sr 0.24616007738238 0.91397970901223 0.21463420514078 87.620 7 Sr 0.24616007738238 0.58602029098777 0.71463420514078 87.620 8 Sr 0.75383992261762 0.08602029098777 0.78536579485922 87.620 *9 B 0.24743427034732 0.91937276244007 0.73847165238595 10.811 10 B 0.24743427034732 0.58062723755993 0.23847165238595 10.811 11 B 0.75256572965268 0.41937276244007 0.76152834761405 10.811 12 B 0.75256572965268 0.08062723755993 0.26152834761405 10.811 *13 O 0.72532857112261 0.93884237386429 0.18485364169569 15.999 *14 O 0.03903308363480 0.65832517462561 0.28318740506820 15.999 15 O 0.27467142887739 0.06115762613571 0.81514635830431 15.999 *16 O 0.57269820817751 0.14466807592218 0.36900171464591 15.999 17 O 0.42730179182249 0.64466807592218 0.13099828535409 15.999 18 O 0.57269820817751 0.35533192407782 0.86900171464591 15.999 19 O 0.42730179182249 0.85533192407782 0.63099828535409 15.999 20 O 0.72532857112261 0.56115762613571 0.68485364169569 15.999 21 O 0.96096691636520 0.34167482537439 0.71681259493180 15.999 22 O 0.96096691636520 0.15832517462561 0.21681259493180 15.999 23 O 0.03903308363480 0.84167482537439 0.78318740506820 15.999 24 O 0.27467142887739 0.43884237386429 0.31514635830431 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.316235240102547 0.000000000000000 0.000000000000000 b 0.000000000000000 9.220062990000002 0.000000000000000 c -1.131378159658373 0.000000000000000 5.929588482940986 Atomic positions (fractional): *1 Na 0.25680393012545 0.24035587124968 0.53599846892325 22.990 > 1 2 Na 0.74319606987455 0.74035587124968 0.96400153107675 22.990 > 2 3 Na 0.74319606987455 0.75964412875032 0.46400153107675 22.990 > 3 4 Na 0.25680393012545 0.25964412875032 0.03599846892325 22.990 > 4 *5 Sr 0.75383992261762 0.41397970901222 0.28536579485922 87.620 > 5 6 Sr 0.24616007738238 0.91397970901223 0.21463420514078 87.620 > 6 7 Sr 0.24616007738238 0.58602029098777 0.71463420514078 87.620 > 7 8 Sr 0.75383992261762 0.08602029098777 0.78536579485922 87.620 > 8 *9 B 0.24743427034732 0.91937276244007 0.73847165238595 10.811 > 9 10 B 0.24743427034732 0.58062723755993 0.23847165238595 10.811 > 10 11 B 0.75256572965268 0.41937276244007 0.76152834761405 10.811 > 11 12 B 0.75256572965268 0.08062723755993 0.26152834761405 10.811 > 12 *13 O 0.72532857112261 0.93884237386429 0.18485364169569 15.999 > 13 *14 O 0.03903308363480 0.65832517462561 0.28318740506820 15.999 > 14 15 O 0.27467142887739 0.06115762613571 0.81514635830431 15.999 > 15 *16 O 0.57269820817751 0.14466807592218 0.36900171464591 15.999 > 16 17 O 0.42730179182249 0.64466807592218 0.13099828535409 15.999 > 17 18 O 0.57269820817751 0.35533192407782 0.86900171464591 15.999 > 18 19 O 0.42730179182249 0.85533192407782 0.63099828535409 15.999 > 19 20 O 0.72532857112261 0.56115762613571 0.68485364169569 15.999 > 20 21 O 0.96096691636520 0.34167482537439 0.71681259493180 15.999 > 21 22 O 0.96096691636520 0.15832517462561 0.21681259493180 15.999 > 22 23 O 0.03903308363480 0.84167482537439 0.78318740506820 15.999 > 23 24 O 0.27467142887739 0.43884237386429 0.31514635830431 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.632470480205095 0.000000000000000 0.000000000000000 b 0.000000000000000 9.220062990000002 0.000000000000000 c -2.262756319316746 0.000000000000000 11.859176965881971 Atomic positions (fractional): *1 Na 0.12840196506273 0.24035587124968 0.26799923446163 22.990 > 1 2 Na 0.62840196506273 0.24035587124968 0.26799923446163 22.990 > 1 3 Na 0.12840196506273 0.24035587124968 0.76799923446163 22.990 > 1 4 Na 0.62840196506273 0.24035587124968 0.76799923446163 22.990 > 1 5 Na 0.37159803493727 0.74035587124968 0.48200076553837 22.990 > 2 6 Na 0.87159803493727 0.74035587124968 0.48200076553837 22.990 > 2 7 Na 0.37159803493727 0.74035587124968 0.98200076553837 22.990 > 2 8 Na 0.87159803493727 0.74035587124968 0.98200076553837 22.990 > 2 9 Na 0.37159803493727 0.75964412875032 0.23200076553837 22.990 > 3 10 Na 0.87159803493727 0.75964412875032 0.23200076553837 22.990 > 3 11 Na 0.37159803493727 0.75964412875032 0.73200076553837 22.990 > 3 12 Na 0.87159803493727 0.75964412875032 0.73200076553837 22.990 > 3 13 Na 0.12840196506273 0.25964412875032 0.01799923446163 22.990 > 4 14 Na 0.62840196506273 0.25964412875032 0.01799923446163 22.990 > 4 15 Na 0.12840196506273 0.25964412875032 0.51799923446163 22.990 > 4 16 Na 0.62840196506273 0.25964412875032 0.51799923446163 22.990 > 4 *17 Sr 0.37691996130881 0.41397970901222 0.14268289742961 87.620 > 5 18 Sr 0.87691996130881 0.41397970901222 0.14268289742961 87.620 > 5 19 Sr 0.37691996130881 0.41397970901222 0.64268289742961 87.620 > 5 20 Sr 0.87691996130881 0.41397970901222 0.64268289742961 87.620 > 5 21 Sr 0.12308003869119 0.91397970901223 0.10731710257039 87.620 > 6 22 Sr 0.62308003869119 0.91397970901223 0.10731710257039 87.620 > 6 23 Sr 0.12308003869119 0.91397970901223 0.60731710257039 87.620 > 6 24 Sr 0.62308003869119 0.91397970901223 0.60731710257039 87.620 > 6 25 Sr 0.12308003869119 0.58602029098777 0.35731710257039 87.620 > 7 26 Sr 0.62308003869119 0.58602029098777 0.35731710257039 87.620 > 7 27 Sr 0.12308003869119 0.58602029098777 0.85731710257039 87.620 > 7 28 Sr 0.62308003869119 0.58602029098777 0.85731710257039 87.620 > 7 29 Sr 0.37691996130881 0.08602029098777 0.39268289742961 87.620 > 8 30 Sr 0.87691996130881 0.08602029098777 0.39268289742961 87.620 > 8 31 Sr 0.37691996130881 0.08602029098777 0.89268289742961 87.620 > 8 32 Sr 0.87691996130881 0.08602029098777 0.89268289742961 87.620 > 8 *33 B 0.12371713517366 0.91937276244007 0.36923582619298 10.811 > 9 34 B 0.62371713517366 0.91937276244007 0.36923582619298 10.811 > 9 35 B 0.12371713517366 0.91937276244007 0.86923582619298 10.811 > 9 36 B 0.62371713517366 0.91937276244007 0.86923582619298 10.811 > 9 37 B 0.12371713517366 0.58062723755993 0.11923582619298 10.811 > 10 38 B 0.62371713517366 0.58062723755993 0.11923582619298 10.811 > 10 39 B 0.12371713517366 0.58062723755993 0.61923582619298 10.811 > 10 40 B 0.62371713517366 0.58062723755993 0.61923582619298 10.811 > 10 41 B 0.37628286482634 0.41937276244007 0.38076417380702 10.811 > 11 42 B 0.87628286482634 0.41937276244007 0.38076417380702 10.811 > 11 43 B 0.37628286482634 0.41937276244007 0.88076417380702 10.811 > 11 44 B 0.87628286482634 0.41937276244007 0.88076417380702 10.811 > 11 45 B 0.37628286482634 0.08062723755993 0.13076417380703 10.811 > 12 46 B 0.87628286482634 0.08062723755993 0.13076417380703 10.811 > 12 47 B 0.37628286482634 0.08062723755993 0.63076417380702 10.811 > 12 48 B 0.87628286482634 0.08062723755993 0.63076417380702 10.811 > 12 *49 O 0.36266428556130 0.93884237386429 0.09242682084784 15.999 > 13 50 O 0.86266428556130 0.93884237386429 0.09242682084784 15.999 > 13 51 O 0.36266428556130 0.93884237386429 0.59242682084784 15.999 > 13 52 O 0.86266428556130 0.93884237386429 0.59242682084784 15.999 > 13 *53 O 0.01951654181740 0.65832517462561 0.14159370253410 15.999 > 14 54 O 0.51951654181740 0.65832517462561 0.14159370253410 15.999 > 14 55 O 0.01951654181740 0.65832517462561 0.64159370253410 15.999 > 14 56 O 0.51951654181740 0.65832517462561 0.64159370253410 15.999 > 14 57 O 0.13733571443870 0.06115762613571 0.40757317915216 15.999 > 15 58 O 0.63733571443870 0.06115762613571 0.40757317915216 15.999 > 15 59 O 0.13733571443870 0.06115762613571 0.90757317915216 15.999 > 15 60 O 0.63733571443870 0.06115762613571 0.90757317915216 15.999 > 15 *61 O 0.28634910408876 0.14466807592218 0.18450085732296 15.999 > 16 62 O 0.78634910408876 0.14466807592218 0.18450085732296 15.999 > 16 63 O 0.28634910408876 0.14466807592218 0.68450085732296 15.999 > 16 64 O 0.78634910408876 0.14466807592218 0.68450085732296 15.999 > 16 65 O 0.21365089591124 0.64466807592218 0.06549914267704 15.999 > 17 66 O 0.71365089591124 0.64466807592218 0.06549914267704 15.999 > 17 67 O 0.21365089591124 0.64466807592218 0.56549914267704 15.999 > 17 68 O 0.71365089591124 0.64466807592218 0.56549914267704 15.999 > 17 69 O 0.28634910408876 0.35533192407782 0.43450085732296 15.999 > 18 70 O 0.78634910408876 0.35533192407782 0.43450085732296 15.999 > 18 71 O 0.28634910408876 0.35533192407782 0.93450085732296 15.999 > 18 72 O 0.78634910408876 0.35533192407782 0.93450085732296 15.999 > 18 73 O 0.21365089591124 0.85533192407782 0.31549914267704 15.999 > 19 74 O 0.71365089591124 0.85533192407782 0.31549914267704 15.999 > 19 75 O 0.21365089591124 0.85533192407782 0.81549914267704 15.999 > 19 76 O 0.71365089591124 0.85533192407782 0.81549914267704 15.999 > 19 77 O 0.36266428556130 0.56115762613571 0.34242682084784 15.999 > 20 78 O 0.86266428556130 0.56115762613571 0.34242682084784 15.999 > 20 79 O 0.36266428556130 0.56115762613571 0.84242682084784 15.999 > 20 80 O 0.86266428556130 0.56115762613571 0.84242682084784 15.999 > 20 81 O 0.48048345818260 0.34167482537439 0.35840629746590 15.999 > 21 82 O 0.98048345818260 0.34167482537439 0.35840629746590 15.999 > 21 83 O 0.48048345818260 0.34167482537439 0.85840629746590 15.999 > 21 84 O 0.98048345818260 0.34167482537439 0.85840629746590 15.999 > 21 85 O 0.48048345818260 0.15832517462561 0.10840629746590 15.999 > 22 86 O 0.98048345818260 0.15832517462561 0.10840629746590 15.999 > 22 87 O 0.48048345818260 0.15832517462561 0.60840629746590 15.999 > 22 88 O 0.98048345818260 0.15832517462561 0.60840629746590 15.999 > 22 89 O 0.01951654181740 0.84167482537439 0.39159370253410 15.999 > 23 90 O 0.51951654181740 0.84167482537439 0.39159370253410 15.999 > 23 91 O 0.01951654181740 0.84167482537439 0.89159370253410 15.999 > 23 92 O 0.51951654181740 0.84167482537439 0.89159370253410 15.999 > 23 93 O 0.13733571443870 0.43884237386429 0.15757317915216 15.999 > 24 94 O 0.63733571443870 0.43884237386429 0.15757317915216 15.999 > 24 95 O 0.13733571443870 0.43884237386429 0.65757317915216 15.999 > 24 96 O 0.63733571443870 0.43884237386429 0.65757317915216 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0353628 0.0000000 -0.0833497 0.0000000 3.0358785 0.0000000 -0.0833500 0.0000000 2.9164472 -------------------------- Born effective charges -------------------------- 1 Na 1.1458405 -0.0263377 0.0249338 -0.0213733 1.1246169 -0.0068835 0.0002380 -0.0024500 1.0422471 2 Na 1.1458405 0.0263377 0.0249338 0.0213733 1.1246169 0.0068835 0.0002380 0.0024500 1.0422471 3 Na 1.1458405 -0.0263377 0.0249338 -0.0213733 1.1246169 -0.0068835 0.0002380 -0.0024500 1.0422471 4 Na 1.1458405 0.0263377 0.0249338 0.0213733 1.1246169 0.0068835 0.0002380 0.0024500 1.0422471 5 Sr 2.4220291 -0.0129030 0.0093129 -0.0515341 2.3993151 0.0423223 0.0568413 0.1014473 2.4837586 6 Sr 2.4220291 0.0129030 0.0093129 0.0515341 2.3993151 -0.0423223 0.0568413 -0.1014473 2.4837586 7 Sr 2.4220291 -0.0129030 0.0093129 -0.0515341 2.3993151 0.0423223 0.0568413 0.1014473 2.4837586 8 Sr 2.4220291 0.0129030 0.0093129 0.0515341 2.3993151 -0.0423223 0.0568413 -0.1014473 2.4837586 9 B 2.0099486 0.1820753 -0.7094310 0.1676132 2.0226721 0.5686682 -0.8651153 0.6105481 0.8426041 10 B 2.0099486 -0.1820753 -0.7094310 -0.1676132 2.0226721 -0.5686682 -0.8651153 -0.6105481 0.8426041 11 B 2.0099486 -0.1820753 -0.7094310 -0.1676132 2.0226721 -0.5686682 -0.8651153 -0.6105481 0.8426041 12 B 2.0099486 0.1820753 -0.7094310 0.1676132 2.0226721 0.5686682 -0.8651153 0.6105481 0.8426041 13 O -1.7386270 -0.0592755 0.0685571 -0.0879608 -2.0602194 -0.2958285 0.1177936 -0.2449811 -1.3581014 14 O -1.9901408 0.2162019 0.2198848 0.1910306 -1.8119255 0.0113317 0.2395746 0.0430797 -1.3418846 15 O -1.7386270 -0.0592755 0.0685571 -0.0879608 -2.0602194 -0.2958285 0.1177936 -0.2449811 -1.3581014 16 O -1.8490504 0.1369024 0.3867425 0.1320182 -1.6744591 -0.2294984 0.4506678 -0.2407816 -1.6686239 17 O -1.8490504 -0.1369024 0.3867425 -0.1320182 -1.6744591 0.2294984 0.4506678 0.2407816 -1.6686239 18 O -1.8490504 -0.1369024 0.3867425 -0.1320182 -1.6744591 0.2294984 0.4506678 0.2407816 -1.6686239 19 O -1.8490504 0.1369024 0.3867425 0.1320182 -1.6744591 -0.2294984 0.4506678 -0.2407816 -1.6686239 20 O -1.7386270 0.0592755 0.0685571 0.0879608 -2.0602194 0.2958285 0.1177936 0.2449811 -1.3581014 21 O -1.9901408 0.2162019 0.2198848 0.1910306 -1.8119255 0.0113317 0.2395746 0.0430797 -1.3418846 22 O -1.9901408 -0.2162019 0.2198848 -0.1910306 -1.8119255 -0.0113317 0.2395746 -0.0430797 -1.3418846 23 O -1.9901408 -0.2162019 0.2198848 -0.1910306 -1.8119255 -0.0113317 0.2395746 -0.0430797 -1.3418846 24 O -1.7386270 0.0592755 0.0685571 0.0879608 -2.0602194 0.2958285 0.1177936 0.2449811 -1.3581014 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.725 Solver_block: 200 / 720 - Time: 0.653 Solver_block: 300 / 720 - Time: 0.652 Solver_block: 400 / 720 - Time: 0.660 Solver_block: 500 / 720 - Time: 0.652 Solver_block: 600 / 720 - Time: 0.656 Solver_block: 700 / 720 - Time: 0.654 Solver_block: 720 / 720 - Time: 0.225 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.982 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 19), data: (576, 31) @ (31, 19) |-- (76, 68), data: True |-- (250, 239), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:45:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:45:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.316235240102547 0.000000000000000 0.000000000000000 b 0.000000000000000 9.220062990000002 0.000000000000000 c -1.131378159658373 0.000000000000000 5.929588482940986 Atomic positions (fractional): 1 Na 0.25680393012545 0.24035587124968 0.53599846892325 22.990 2 Na 0.74319606987455 0.74035587124968 0.96400153107675 22.990 3 Na 0.74319606987455 0.75964412875032 0.46400153107675 22.990 4 Na 0.25680393012545 0.25964412875032 0.03599846892325 22.990 5 Sr 0.75383992261762 0.41397970901222 0.28536579485922 87.620 6 Sr 0.24616007738238 0.91397970901223 0.21463420514078 87.620 7 Sr 0.24616007738238 0.58602029098777 0.71463420514078 87.620 8 Sr 0.75383992261762 0.08602029098777 0.78536579485922 87.620 9 B 0.24743427034732 0.91937276244007 0.73847165238595 10.811 10 B 0.24743427034732 0.58062723755993 0.23847165238595 10.811 11 B 0.75256572965268 0.41937276244007 0.76152834761405 10.811 12 B 0.75256572965268 0.08062723755993 0.26152834761405 10.811 13 O 0.72532857112261 0.93884237386429 0.18485364169569 15.999 14 O 0.03903308363480 0.65832517462561 0.28318740506820 15.999 15 O 0.27467142887739 0.06115762613571 0.81514635830431 15.999 16 O 0.57269820817751 0.14466807592218 0.36900171464591 15.999 17 O 0.42730179182249 0.64466807592218 0.13099828535409 15.999 18 O 0.57269820817751 0.35533192407782 0.86900171464591 15.999 19 O 0.42730179182249 0.85533192407782 0.63099828535409 15.999 20 O 0.72532857112261 0.56115762613571 0.68485364169569 15.999 21 O 0.96096691636520 0.34167482537439 0.71681259493180 15.999 22 O 0.96096691636520 0.15832517462561 0.21681259493180 15.999 23 O 0.03903308363480 0.84167482537439 0.78318740506820 15.999 24 O 0.27467142887739 0.43884237386429 0.31514635830431 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.632470480205095 0.000000000000000 0.000000000000000 b 0.000000000000000 9.220062990000002 0.000000000000000 c -2.262756319316746 0.000000000000000 11.859176965881971 Atomic positions (fractional): 1 Na 0.12840196506273 0.24035587124968 0.26799923446163 22.990 > 1 2 Na 0.62840196506273 0.24035587124968 0.26799923446163 22.990 > 1 3 Na 0.12840196506273 0.24035587124968 0.76799923446163 22.990 > 1 4 Na 0.62840196506273 0.24035587124968 0.76799923446163 22.990 > 1 5 Na 0.37159803493727 0.74035587124968 0.48200076553837 22.990 > 5 6 Na 0.87159803493727 0.74035587124968 0.48200076553837 22.990 > 5 7 Na 0.37159803493727 0.74035587124968 0.98200076553837 22.990 > 5 8 Na 0.87159803493727 0.74035587124968 0.98200076553837 22.990 > 5 9 Na 0.37159803493727 0.75964412875032 0.23200076553837 22.990 > 9 10 Na 0.87159803493727 0.75964412875032 0.23200076553837 22.990 > 9 11 Na 0.37159803493727 0.75964412875032 0.73200076553837 22.990 > 9 12 Na 0.87159803493727 0.75964412875032 0.73200076553837 22.990 > 9 13 Na 0.12840196506273 0.25964412875032 0.01799923446163 22.990 > 13 14 Na 0.62840196506273 0.25964412875032 0.01799923446163 22.990 > 13 15 Na 0.12840196506273 0.25964412875032 0.51799923446163 22.990 > 13 16 Na 0.62840196506273 0.25964412875032 0.51799923446163 22.990 > 13 17 Sr 0.37691996130881 0.41397970901222 0.14268289742961 87.620 > 17 18 Sr 0.87691996130881 0.41397970901222 0.14268289742961 87.620 > 17 19 Sr 0.37691996130881 0.41397970901222 0.64268289742961 87.620 > 17 20 Sr 0.87691996130881 0.41397970901222 0.64268289742961 87.620 > 17 21 Sr 0.12308003869119 0.91397970901223 0.10731710257039 87.620 > 21 22 Sr 0.62308003869119 0.91397970901223 0.10731710257039 87.620 > 21 23 Sr 0.12308003869119 0.91397970901223 0.60731710257039 87.620 > 21 24 Sr 0.62308003869119 0.91397970901223 0.60731710257039 87.620 > 21 25 Sr 0.12308003869119 0.58602029098777 0.35731710257039 87.620 > 25 26 Sr 0.62308003869119 0.58602029098777 0.35731710257039 87.620 > 25 27 Sr 0.12308003869119 0.58602029098777 0.85731710257039 87.620 > 25 28 Sr 0.62308003869119 0.58602029098777 0.85731710257039 87.620 > 25 29 Sr 0.37691996130881 0.08602029098777 0.39268289742961 87.620 > 29 30 Sr 0.87691996130881 0.08602029098777 0.39268289742961 87.620 > 29 31 Sr 0.37691996130881 0.08602029098777 0.89268289742961 87.620 > 29 32 Sr 0.87691996130881 0.08602029098777 0.89268289742961 87.620 > 29 33 B 0.12371713517366 0.91937276244007 0.36923582619298 10.811 > 33 34 B 0.62371713517366 0.91937276244007 0.36923582619298 10.811 > 33 35 B 0.12371713517366 0.91937276244007 0.86923582619298 10.811 > 33 36 B 0.62371713517366 0.91937276244007 0.86923582619298 10.811 > 33 37 B 0.12371713517366 0.58062723755993 0.11923582619298 10.811 > 37 38 B 0.62371713517366 0.58062723755993 0.11923582619298 10.811 > 37 39 B 0.12371713517366 0.58062723755993 0.61923582619298 10.811 > 37 40 B 0.62371713517366 0.58062723755993 0.61923582619298 10.811 > 37 41 B 0.37628286482634 0.41937276244007 0.38076417380702 10.811 > 41 42 B 0.87628286482634 0.41937276244007 0.38076417380702 10.811 > 41 43 B 0.37628286482634 0.41937276244007 0.88076417380702 10.811 > 41 44 B 0.87628286482634 0.41937276244007 0.88076417380702 10.811 > 41 45 B 0.37628286482634 0.08062723755993 0.13076417380703 10.811 > 45 46 B 0.87628286482634 0.08062723755993 0.13076417380703 10.811 > 45 47 B 0.37628286482634 0.08062723755993 0.63076417380702 10.811 > 45 48 B 0.87628286482634 0.08062723755993 0.63076417380702 10.811 > 45 49 O 0.36266428556130 0.93884237386429 0.09242682084784 15.999 > 49 50 O 0.86266428556130 0.93884237386429 0.09242682084784 15.999 > 49 51 O 0.36266428556130 0.93884237386429 0.59242682084784 15.999 > 49 52 O 0.86266428556130 0.93884237386429 0.59242682084784 15.999 > 49 53 O 0.01951654181740 0.65832517462561 0.14159370253410 15.999 > 53 54 O 0.51951654181740 0.65832517462561 0.14159370253410 15.999 > 53 55 O 0.01951654181740 0.65832517462561 0.64159370253410 15.999 > 53 56 O 0.51951654181740 0.65832517462561 0.64159370253410 15.999 > 53 57 O 0.13733571443870 0.06115762613571 0.40757317915216 15.999 > 57 58 O 0.63733571443870 0.06115762613571 0.40757317915216 15.999 > 57 59 O 0.13733571443870 0.06115762613571 0.90757317915216 15.999 > 57 60 O 0.63733571443870 0.06115762613571 0.90757317915216 15.999 > 57 61 O 0.28634910408876 0.14466807592218 0.18450085732296 15.999 > 61 62 O 0.78634910408876 0.14466807592218 0.18450085732296 15.999 > 61 63 O 0.28634910408876 0.14466807592218 0.68450085732296 15.999 > 61 64 O 0.78634910408876 0.14466807592218 0.68450085732296 15.999 > 61 65 O 0.21365089591124 0.64466807592218 0.06549914267704 15.999 > 65 66 O 0.71365089591124 0.64466807592218 0.06549914267704 15.999 > 65 67 O 0.21365089591124 0.64466807592218 0.56549914267704 15.999 > 65 68 O 0.71365089591124 0.64466807592218 0.56549914267704 15.999 > 65 69 O 0.28634910408876 0.35533192407782 0.43450085732296 15.999 > 69 70 O 0.78634910408876 0.35533192407782 0.43450085732296 15.999 > 69 71 O 0.28634910408876 0.35533192407782 0.93450085732296 15.999 > 69 72 O 0.78634910408876 0.35533192407782 0.93450085732296 15.999 > 69 73 O 0.21365089591124 0.85533192407782 0.31549914267704 15.999 > 73 74 O 0.71365089591124 0.85533192407782 0.31549914267704 15.999 > 73 75 O 0.21365089591124 0.85533192407782 0.81549914267704 15.999 > 73 76 O 0.71365089591124 0.85533192407782 0.81549914267704 15.999 > 73 77 O 0.36266428556130 0.56115762613571 0.34242682084784 15.999 > 77 78 O 0.86266428556130 0.56115762613571 0.34242682084784 15.999 > 77 79 O 0.36266428556130 0.56115762613571 0.84242682084784 15.999 > 77 80 O 0.86266428556130 0.56115762613571 0.84242682084784 15.999 > 77 81 O 0.48048345818260 0.34167482537439 0.35840629746590 15.999 > 81 82 O 0.98048345818260 0.34167482537439 0.35840629746590 15.999 > 81 83 O 0.48048345818260 0.34167482537439 0.85840629746590 15.999 > 81 84 O 0.98048345818260 0.34167482537439 0.85840629746590 15.999 > 81 85 O 0.48048345818260 0.15832517462561 0.10840629746590 15.999 > 85 86 O 0.98048345818260 0.15832517462561 0.10840629746590 15.999 > 85 87 O 0.48048345818260 0.15832517462561 0.60840629746590 15.999 > 85 88 O 0.98048345818260 0.15832517462561 0.60840629746590 15.999 > 85 89 O 0.01951654181740 0.84167482537439 0.39159370253410 15.999 > 89 90 O 0.51951654181740 0.84167482537439 0.39159370253410 15.999 > 89 91 O 0.01951654181740 0.84167482537439 0.89159370253410 15.999 > 89 92 O 0.51951654181740 0.84167482537439 0.89159370253410 15.999 > 89 93 O 0.13733571443870 0.43884237386429 0.15757317915216 15.999 > 93 94 O 0.63733571443870 0.43884237386429 0.15757317915216 15.999 > 93 95 O 0.13733571443870 0.43884237386429 0.65757317915216 15.999 > 93 96 O 0.63733571443870 0.43884237386429 0.65757317915216 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0353628 0.0000000 -0.0833497 0.0000000 3.0358785 0.0000000 -0.0833500 0.0000000 2.9164472 -------------------------- Born effective charges -------------------------- 1 Na 1.1458405 -0.0263377 0.0249338 -0.0213733 1.1246169 -0.0068835 0.0002380 -0.0024500 1.0422471 2 Na 1.1458405 0.0263377 0.0249338 0.0213733 1.1246169 0.0068835 0.0002380 0.0024500 1.0422471 3 Na 1.1458405 -0.0263377 0.0249338 -0.0213733 1.1246169 -0.0068835 0.0002380 -0.0024500 1.0422471 4 Na 1.1458405 0.0263377 0.0249338 0.0213733 1.1246169 0.0068835 0.0002380 0.0024500 1.0422471 5 Sr 2.4220291 -0.0129030 0.0093129 -0.0515341 2.3993151 0.0423223 0.0568413 0.1014473 2.4837586 6 Sr 2.4220291 0.0129030 0.0093129 0.0515341 2.3993151 -0.0423223 0.0568413 -0.1014473 2.4837586 7 Sr 2.4220291 -0.0129030 0.0093129 -0.0515341 2.3993151 0.0423223 0.0568413 0.1014473 2.4837586 8 Sr 2.4220291 0.0129030 0.0093129 0.0515341 2.3993151 -0.0423223 0.0568413 -0.1014473 2.4837586 9 B 2.0099486 0.1820753 -0.7094310 0.1676132 2.0226721 0.5686682 -0.8651153 0.6105481 0.8426041 10 B 2.0099486 -0.1820753 -0.7094310 -0.1676132 2.0226721 -0.5686682 -0.8651153 -0.6105481 0.8426041 11 B 2.0099486 -0.1820753 -0.7094310 -0.1676132 2.0226721 -0.5686682 -0.8651153 -0.6105481 0.8426041 12 B 2.0099486 0.1820753 -0.7094310 0.1676132 2.0226721 0.5686682 -0.8651153 0.6105481 0.8426041 13 O -1.7386270 -0.0592755 0.0685571 -0.0879608 -2.0602194 -0.2958285 0.1177936 -0.2449811 -1.3581014 14 O -1.9901408 0.2162019 0.2198848 0.1910306 -1.8119255 0.0113317 0.2395746 0.0430797 -1.3418846 15 O -1.7386270 -0.0592755 0.0685571 -0.0879608 -2.0602194 -0.2958285 0.1177936 -0.2449811 -1.3581014 16 O -1.8490504 0.1369024 0.3867425 0.1320182 -1.6744591 -0.2294984 0.4506678 -0.2407816 -1.6686239 17 O -1.8490504 -0.1369024 0.3867425 -0.1320182 -1.6744591 0.2294984 0.4506678 0.2407816 -1.6686239 18 O -1.8490504 -0.1369024 0.3867425 -0.1320182 -1.6744591 0.2294984 0.4506678 0.2407816 -1.6686239 19 O -1.8490504 0.1369024 0.3867425 0.1320182 -1.6744591 -0.2294984 0.4506678 -0.2407816 -1.6686239 20 O -1.7386270 0.0592755 0.0685571 0.0879608 -2.0602194 0.2958285 0.1177936 0.2449811 -1.3581014 21 O -1.9901408 0.2162019 0.2198848 0.1910306 -1.8119255 0.0113317 0.2395746 0.0430797 -1.3418846 22 O -1.9901408 -0.2162019 0.2198848 -0.1910306 -1.8119255 -0.0113317 0.2395746 -0.0430797 -1.3418846 23 O -1.9901408 -0.2162019 0.2198848 -0.1910306 -1.8119255 -0.0113317 0.2395746 -0.0430797 -1.3418846 24 O -1.7386270 0.0592755 0.0685571 0.0879608 -2.0602194 0.2958285 0.1177936 0.2449811 -1.3581014 ---------------------------------------------------------------------------- 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 17, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 53, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:46:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:46:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.316235240102547 0.000000000000000 0.000000000000000 b 0.000000000000000 9.220062990000002 0.000000000000000 c -1.131378159658373 0.000000000000000 5.929588482940986 Atomic positions (fractional): 1 Na 0.25680393012545 0.24035587124968 0.53599846892325 22.990 2 Na 0.74319606987455 0.74035587124968 0.96400153107675 22.990 3 Na 0.74319606987455 0.75964412875032 0.46400153107675 22.990 4 Na 0.25680393012545 0.25964412875032 0.03599846892325 22.990 5 Sr 0.75383992261762 0.41397970901222 0.28536579485922 87.620 6 Sr 0.24616007738238 0.91397970901223 0.21463420514078 87.620 7 Sr 0.24616007738238 0.58602029098777 0.71463420514078 87.620 8 Sr 0.75383992261762 0.08602029098777 0.78536579485922 87.620 9 B 0.24743427034732 0.91937276244007 0.73847165238595 10.811 10 B 0.24743427034732 0.58062723755993 0.23847165238595 10.811 11 B 0.75256572965268 0.41937276244007 0.76152834761405 10.811 12 B 0.75256572965268 0.08062723755993 0.26152834761405 10.811 13 O 0.72532857112261 0.93884237386429 0.18485364169569 15.999 14 O 0.03903308363480 0.65832517462561 0.28318740506820 15.999 15 O 0.27467142887739 0.06115762613571 0.81514635830431 15.999 16 O 0.57269820817751 0.14466807592218 0.36900171464591 15.999 17 O 0.42730179182249 0.64466807592218 0.13099828535409 15.999 18 O 0.57269820817751 0.35533192407782 0.86900171464591 15.999 19 O 0.42730179182249 0.85533192407782 0.63099828535409 15.999 20 O 0.72532857112261 0.56115762613571 0.68485364169569 15.999 21 O 0.96096691636520 0.34167482537439 0.71681259493180 15.999 22 O 0.96096691636520 0.15832517462561 0.21681259493180 15.999 23 O 0.03903308363480 0.84167482537439 0.78318740506820 15.999 24 O 0.27467142887739 0.43884237386429 0.31514635830431 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.632470480205095 0.000000000000000 0.000000000000000 b 0.000000000000000 9.220062990000002 0.000000000000000 c -2.262756319316746 0.000000000000000 11.859176965881971 Atomic positions (fractional): 1 Na 0.12840196506273 0.24035587124968 0.26799923446163 22.990 > 1 2 Na 0.62840196506273 0.24035587124968 0.26799923446163 22.990 > 1 3 Na 0.12840196506273 0.24035587124968 0.76799923446163 22.990 > 1 4 Na 0.62840196506273 0.24035587124968 0.76799923446163 22.990 > 1 5 Na 0.37159803493727 0.74035587124968 0.48200076553837 22.990 > 5 6 Na 0.87159803493727 0.74035587124968 0.48200076553837 22.990 > 5 7 Na 0.37159803493727 0.74035587124968 0.98200076553837 22.990 > 5 8 Na 0.87159803493727 0.74035587124968 0.98200076553837 22.990 > 5 9 Na 0.37159803493727 0.75964412875032 0.23200076553837 22.990 > 9 10 Na 0.87159803493727 0.75964412875032 0.23200076553837 22.990 > 9 11 Na 0.37159803493727 0.75964412875032 0.73200076553837 22.990 > 9 12 Na 0.87159803493727 0.75964412875032 0.73200076553837 22.990 > 9 13 Na 0.12840196506273 0.25964412875032 0.01799923446163 22.990 > 13 14 Na 0.62840196506273 0.25964412875032 0.01799923446163 22.990 > 13 15 Na 0.12840196506273 0.25964412875032 0.51799923446163 22.990 > 13 16 Na 0.62840196506273 0.25964412875032 0.51799923446163 22.990 > 13 17 Sr 0.37691996130881 0.41397970901222 0.14268289742961 87.620 > 17 18 Sr 0.87691996130881 0.41397970901222 0.14268289742961 87.620 > 17 19 Sr 0.37691996130881 0.41397970901222 0.64268289742961 87.620 > 17 20 Sr 0.87691996130881 0.41397970901222 0.64268289742961 87.620 > 17 21 Sr 0.12308003869119 0.91397970901223 0.10731710257039 87.620 > 21 22 Sr 0.62308003869119 0.91397970901223 0.10731710257039 87.620 > 21 23 Sr 0.12308003869119 0.91397970901223 0.60731710257039 87.620 > 21 24 Sr 0.62308003869119 0.91397970901223 0.60731710257039 87.620 > 21 25 Sr 0.12308003869119 0.58602029098777 0.35731710257039 87.620 > 25 26 Sr 0.62308003869119 0.58602029098777 0.35731710257039 87.620 > 25 27 Sr 0.12308003869119 0.58602029098777 0.85731710257039 87.620 > 25 28 Sr 0.62308003869119 0.58602029098777 0.85731710257039 87.620 > 25 29 Sr 0.37691996130881 0.08602029098777 0.39268289742961 87.620 > 29 30 Sr 0.87691996130881 0.08602029098777 0.39268289742961 87.620 > 29 31 Sr 0.37691996130881 0.08602029098777 0.89268289742961 87.620 > 29 32 Sr 0.87691996130881 0.08602029098777 0.89268289742961 87.620 > 29 33 B 0.12371713517366 0.91937276244007 0.36923582619298 10.811 > 33 34 B 0.62371713517366 0.91937276244007 0.36923582619298 10.811 > 33 35 B 0.12371713517366 0.91937276244007 0.86923582619298 10.811 > 33 36 B 0.62371713517366 0.91937276244007 0.86923582619298 10.811 > 33 37 B 0.12371713517366 0.58062723755993 0.11923582619298 10.811 > 37 38 B 0.62371713517366 0.58062723755993 0.11923582619298 10.811 > 37 39 B 0.12371713517366 0.58062723755993 0.61923582619298 10.811 > 37 40 B 0.62371713517366 0.58062723755993 0.61923582619298 10.811 > 37 41 B 0.37628286482634 0.41937276244007 0.38076417380702 10.811 > 41 42 B 0.87628286482634 0.41937276244007 0.38076417380702 10.811 > 41 43 B 0.37628286482634 0.41937276244007 0.88076417380702 10.811 > 41 44 B 0.87628286482634 0.41937276244007 0.88076417380702 10.811 > 41 45 B 0.37628286482634 0.08062723755993 0.13076417380703 10.811 > 45 46 B 0.87628286482634 0.08062723755993 0.13076417380703 10.811 > 45 47 B 0.37628286482634 0.08062723755993 0.63076417380702 10.811 > 45 48 B 0.87628286482634 0.08062723755993 0.63076417380702 10.811 > 45 49 O 0.36266428556130 0.93884237386429 0.09242682084784 15.999 > 49 50 O 0.86266428556130 0.93884237386429 0.09242682084784 15.999 > 49 51 O 0.36266428556130 0.93884237386429 0.59242682084784 15.999 > 49 52 O 0.86266428556130 0.93884237386429 0.59242682084784 15.999 > 49 53 O 0.01951654181740 0.65832517462561 0.14159370253410 15.999 > 53 54 O 0.51951654181740 0.65832517462561 0.14159370253410 15.999 > 53 55 O 0.01951654181740 0.65832517462561 0.64159370253410 15.999 > 53 56 O 0.51951654181740 0.65832517462561 0.64159370253410 15.999 > 53 57 O 0.13733571443870 0.06115762613571 0.40757317915216 15.999 > 57 58 O 0.63733571443870 0.06115762613571 0.40757317915216 15.999 > 57 59 O 0.13733571443870 0.06115762613571 0.90757317915216 15.999 > 57 60 O 0.63733571443870 0.06115762613571 0.90757317915216 15.999 > 57 61 O 0.28634910408876 0.14466807592218 0.18450085732296 15.999 > 61 62 O 0.78634910408876 0.14466807592218 0.18450085732296 15.999 > 61 63 O 0.28634910408876 0.14466807592218 0.68450085732296 15.999 > 61 64 O 0.78634910408876 0.14466807592218 0.68450085732296 15.999 > 61 65 O 0.21365089591124 0.64466807592218 0.06549914267704 15.999 > 65 66 O 0.71365089591124 0.64466807592218 0.06549914267704 15.999 > 65 67 O 0.21365089591124 0.64466807592218 0.56549914267704 15.999 > 65 68 O 0.71365089591124 0.64466807592218 0.56549914267704 15.999 > 65 69 O 0.28634910408876 0.35533192407782 0.43450085732296 15.999 > 69 70 O 0.78634910408876 0.35533192407782 0.43450085732296 15.999 > 69 71 O 0.28634910408876 0.35533192407782 0.93450085732296 15.999 > 69 72 O 0.78634910408876 0.35533192407782 0.93450085732296 15.999 > 69 73 O 0.21365089591124 0.85533192407782 0.31549914267704 15.999 > 73 74 O 0.71365089591124 0.85533192407782 0.31549914267704 15.999 > 73 75 O 0.21365089591124 0.85533192407782 0.81549914267704 15.999 > 73 76 O 0.71365089591124 0.85533192407782 0.81549914267704 15.999 > 73 77 O 0.36266428556130 0.56115762613571 0.34242682084784 15.999 > 77 78 O 0.86266428556130 0.56115762613571 0.34242682084784 15.999 > 77 79 O 0.36266428556130 0.56115762613571 0.84242682084784 15.999 > 77 80 O 0.86266428556130 0.56115762613571 0.84242682084784 15.999 > 77 81 O 0.48048345818260 0.34167482537439 0.35840629746590 15.999 > 81 82 O 0.98048345818260 0.34167482537439 0.35840629746590 15.999 > 81 83 O 0.48048345818260 0.34167482537439 0.85840629746590 15.999 > 81 84 O 0.98048345818260 0.34167482537439 0.85840629746590 15.999 > 81 85 O 0.48048345818260 0.15832517462561 0.10840629746590 15.999 > 85 86 O 0.98048345818260 0.15832517462561 0.10840629746590 15.999 > 85 87 O 0.48048345818260 0.15832517462561 0.60840629746590 15.999 > 85 88 O 0.98048345818260 0.15832517462561 0.60840629746590 15.999 > 85 89 O 0.01951654181740 0.84167482537439 0.39159370253410 15.999 > 89 90 O 0.51951654181740 0.84167482537439 0.39159370253410 15.999 > 89 91 O 0.01951654181740 0.84167482537439 0.89159370253410 15.999 > 89 92 O 0.51951654181740 0.84167482537439 0.89159370253410 15.999 > 89 93 O 0.13733571443870 0.43884237386429 0.15757317915216 15.999 > 93 94 O 0.63733571443870 0.43884237386429 0.15757317915216 15.999 > 93 95 O 0.13733571443870 0.43884237386429 0.65757317915216 15.999 > 93 96 O 0.63733571443870 0.43884237386429 0.65757317915216 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0353628 0.0000000 -0.0833497 0.0000000 3.0358785 0.0000000 -0.0833500 0.0000000 2.9164472 -------------------------- Born effective charges -------------------------- 1 Na 1.1458405 -0.0263377 0.0249338 -0.0213733 1.1246169 -0.0068835 0.0002380 -0.0024500 1.0422471 2 Na 1.1458405 0.0263377 0.0249338 0.0213733 1.1246169 0.0068835 0.0002380 0.0024500 1.0422471 3 Na 1.1458405 -0.0263377 0.0249338 -0.0213733 1.1246169 -0.0068835 0.0002380 -0.0024500 1.0422471 4 Na 1.1458405 0.0263377 0.0249338 0.0213733 1.1246169 0.0068835 0.0002380 0.0024500 1.0422471 5 Sr 2.4220291 -0.0129030 0.0093129 -0.0515341 2.3993151 0.0423223 0.0568413 0.1014473 2.4837586 6 Sr 2.4220291 0.0129030 0.0093129 0.0515341 2.3993151 -0.0423223 0.0568413 -0.1014473 2.4837586 7 Sr 2.4220291 -0.0129030 0.0093129 -0.0515341 2.3993151 0.0423223 0.0568413 0.1014473 2.4837586 8 Sr 2.4220291 0.0129030 0.0093129 0.0515341 2.3993151 -0.0423223 0.0568413 -0.1014473 2.4837586 9 B 2.0099486 0.1820753 -0.7094310 0.1676132 2.0226721 0.5686682 -0.8651153 0.6105481 0.8426041 10 B 2.0099486 -0.1820753 -0.7094310 -0.1676132 2.0226721 -0.5686682 -0.8651153 -0.6105481 0.8426041 11 B 2.0099486 -0.1820753 -0.7094310 -0.1676132 2.0226721 -0.5686682 -0.8651153 -0.6105481 0.8426041 12 B 2.0099486 0.1820753 -0.7094310 0.1676132 2.0226721 0.5686682 -0.8651153 0.6105481 0.8426041 13 O -1.7386270 -0.0592755 0.0685571 -0.0879608 -2.0602194 -0.2958285 0.1177936 -0.2449811 -1.3581014 14 O -1.9901408 0.2162019 0.2198848 0.1910306 -1.8119255 0.0113317 0.2395746 0.0430797 -1.3418846 15 O -1.7386270 -0.0592755 0.0685571 -0.0879608 -2.0602194 -0.2958285 0.1177936 -0.2449811 -1.3581014 16 O -1.8490504 0.1369024 0.3867425 0.1320182 -1.6744591 -0.2294984 0.4506678 -0.2407816 -1.6686239 17 O -1.8490504 -0.1369024 0.3867425 -0.1320182 -1.6744591 0.2294984 0.4506678 0.2407816 -1.6686239 18 O -1.8490504 -0.1369024 0.3867425 -0.1320182 -1.6744591 0.2294984 0.4506678 0.2407816 -1.6686239 19 O -1.8490504 0.1369024 0.3867425 0.1320182 -1.6744591 -0.2294984 0.4506678 -0.2407816 -1.6686239 20 O -1.7386270 0.0592755 0.0685571 0.0879608 -2.0602194 0.2958285 0.1177936 0.2449811 -1.3581014 21 O -1.9901408 0.2162019 0.2198848 0.1910306 -1.8119255 0.0113317 0.2395746 0.0430797 -1.3418846 22 O -1.9901408 -0.2162019 0.2198848 -0.1910306 -1.8119255 -0.0113317 0.2395746 -0.0430797 -1.3418846 23 O -1.9901408 -0.2162019 0.2198848 -0.1910306 -1.8119255 -0.0113317 0.2395746 -0.0430797 -1.3418846 24 O -1.7386270 0.0592755 0.0685571 0.0879608 -2.0602194 0.2958285 0.1177936 0.2449811 -1.3581014 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) 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 ... [ 10 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.355 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.086 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.348 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 0.000) 0.000 7.532 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.682 ( 0.000 0.000 0.000) 0.000 8.709 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 16.640 ( 0.000 0.000 0.000) 0.000 16.698 ( 0.000 0.000 0.000) 0.000 16.924 ( 0.000 0.000 0.000) 0.000 16.978 ( 0.000 0.000 0.000) 0.000 17.295 ( 0.000 0.000 0.000) 0.000 17.296 ( 0.000 0.000 0.000) 0.000 17.359 ( 0.000 0.000 0.000) 0.000 17.675 ( 0.000 0.000 0.000) 0.000 22.329 ( 0.000 0.000 0.000) 0.000 22.358 ( 0.000 0.000 0.000) 0.000 22.493 ( 0.000 0.000 0.000) 0.000 22.499 ( 0.000 0.000 0.000) 0.000 27.192 ( 0.000 0.000 0.000) 0.000 27.292 ( 0.000 0.000 0.000) 0.000 27.396 ( 0.000 0.000 0.000) 0.000 27.420 ( 0.000 0.000 0.000) 0.000 36.862 ( 0.000 0.000 0.000) 0.000 36.883 ( 0.000 0.000 0.000) 0.000 37.145 ( 0.000 0.000 0.000) 0.000 37.308 ( 0.000 0.000 0.000) 0.000 37.502 ( 0.000 0.000 0.000) 0.000 37.656 ( 0.000 0.000 0.000) 0.000 37.918 ( 0.000 0.000 0.000) 0.000 39.443 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 27.174 0.000 17.581) 32.366 0.681 ( 36.310 0.000 -2.957) 36.431 1.182 ( 61.810 0.000 -9.590) 62.549 2.659 ( -8.214 0.000 -3.624) 8.978 2.674 ( 2.727 0.000 -4.156) 4.971 2.875 ( 2.100 0.000 1.568) 2.621 2.979 ( 6.669 0.000 1.074) 6.755 3.134 ( 0.698 0.000 0.601) 0.921 3.195 ( 3.484 0.000 -0.525) 3.524 3.262 ( 2.685 0.000 3.738) 4.603 3.656 ( 0.992 0.000 6.753) 6.825 3.885 ( 0.982 0.000 -10.172) 10.219 4.007 ( 4.476 0.000 -1.818) 4.831 4.191 ( -6.882 0.000 -2.747) 7.410 4.266 ( -1.985 0.000 -4.008) 4.473 4.517 ( 3.102 0.000 2.405) 3.925 4.561 ( 10.982 0.000 0.540) 10.996 4.749 ( 7.025 0.000 0.190) 7.027 5.037 ( -3.596 0.000 7.768) 8.560 5.060 ( -12.494 0.000 -11.223) 16.794 5.196 ( 2.134 0.000 -5.666) 6.055 5.597 ( -5.893 0.000 3.934) 7.086 5.617 ( 9.168 0.000 -0.757) 9.199 5.761 ( 3.351 0.000 -18.021) 18.330 5.792 ( 1.822 0.000 1.097) 2.127 6.065 ( 5.002 0.000 -3.769) 6.263 6.104 ( -3.452 0.000 11.317) 11.831 6.349 ( -1.264 0.000 -0.398) 1.325 6.454 ( 10.172 0.000 -8.197) 13.063 6.507 ( 7.994 0.000 1.755) 8.184 6.603 ( 7.332 0.000 4.267) 8.483 6.655 ( -2.117 0.000 1.639) 2.677 7.042 ( -16.510 0.000 94.292) 95.726 7.114 ( 2.539 0.000 -0.705) 2.635 7.362 ( -4.938 0.000 0.422) 4.956 7.449 ( -8.953 0.000 -4.921) 10.216 7.520 ( -2.606 0.000 6.420) 6.929 7.587 ( -0.962 0.000 3.875) 3.993 7.723 ( 7.246 0.000 -10.420) 12.691 7.786 ( 1.521 0.000 -9.609) 9.728 8.053 ( 4.486 0.000 0.034) 4.486 8.078 ( -4.211 0.000 7.645) 8.728 8.323 ( 3.021 0.000 -2.938) 4.214 8.444 ( 1.732 0.000 -0.698) 1.868 8.661 ( -2.167 0.000 1.341) 2.548 8.671 ( -4.190 0.000 1.049) 4.320 8.881 ( -7.860 0.000 1.820) 8.068 10.554 ( -3.420 0.000 -23.000) 23.253 16.643 ( 0.018 0.000 0.924) 0.925 16.708 ( 1.391 0.000 -1.513) 2.055 16.944 ( -1.413 0.000 0.070) 1.414 16.975 ( -0.276 0.000 -0.002) 0.276 17.299 ( 0.200 0.000 1.251) 1.267 17.384 ( 2.441 0.000 -0.086) 2.442 17.478 ( 3.771 0.000 -7.942) 8.791 17.699 ( 2.601 0.000 -0.329) 2.622 22.334 ( 0.392 0.000 0.270) 0.476 22.459 ( -3.249 0.000 13.667) 14.048 22.494 ( 0.049 0.000 0.079) 0.093 22.506 ( -0.079 0.000 3.666) 3.667 27.200 ( 0.835 0.000 -0.239) 0.868 27.281 ( -1.056 0.000 -0.159) 1.068 27.384 ( -0.911 0.000 -1.664) 1.897 27.418 ( -0.330 0.000 0.370) 0.496 36.864 ( 0.369 0.000 -0.855) 0.931 36.897 ( 1.013 0.000 0.648) 1.202 37.176 ( 3.308 0.000 -1.927) 3.829 37.514 ( 1.680 0.000 -1.022) 1.967 37.672 ( 0.877 0.000 3.523) 3.630 37.928 ( 0.943 0.000 1.844) 2.071 39.116 ( 24.770 0.000 -125.646) 128.064 39.392 ( -7.990 0.000 9.140) 12.140 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 26.836 0.000 16.159) 31.325 1.333 ( 33.808 0.000 -3.626) 34.002 2.159 ( 40.736 0.000 -12.483) 42.605 2.491 ( -7.783 0.000 -2.368) 8.135 2.753 ( 10.935 0.000 -3.656) 11.530 2.948 ( 3.855 0.000 4.015) 5.566 3.063 ( 2.047 0.000 -1.032) 2.293 3.148 ( 0.777 0.000 0.172) 0.796 3.307 ( 5.179 0.000 2.452) 5.730 3.335 ( 5.196 0.000 3.663) 6.357 3.662 ( -1.354 0.000 2.151) 2.542 3.838 ( -3.734 0.000 -9.320) 10.040 4.015 ( -9.160 0.000 -7.761) 12.006 4.143 ( 11.642 0.000 1.408) 11.726 4.195 ( -3.574 0.000 -5.015) 6.158 4.607 ( 5.247 0.000 0.681) 5.291 4.833 ( -5.714 0.000 -6.371) 8.558 4.879 ( 20.835 0.000 -1.801) 20.913 4.936 ( 10.422 0.000 -1.154) 10.486 5.029 ( -0.005 0.000 9.710) 9.710 5.214 ( 2.604 0.000 -6.216) 6.739 5.460 ( -9.378 0.000 3.978) 10.187 5.705 ( 1.705 0.000 -4.972) 5.256 5.769 ( 2.315 0.000 -4.904) 5.423 5.828 ( 1.457 0.000 -3.805) 4.075 6.068 ( -2.461 0.000 6.723) 7.160 6.150 ( 4.994 0.000 -3.087) 5.871 6.305 ( -1.996 0.000 -0.868) 2.176 6.615 ( -1.723 0.000 0.870) 1.930 6.675 ( 11.858 0.000 -0.195) 11.859 6.698 ( 8.796 0.000 3.620) 9.512 6.810 ( 11.101 0.000 9.385) 14.537 7.071 ( -6.893 0.000 39.206) 39.807 7.160 ( 2.045 0.000 0.592) 2.128 7.166 ( -13.278 0.000 2.623) 13.535 7.316 ( -4.834 0.000 -1.805) 5.160 7.504 ( -0.613 0.000 2.048) 2.138 7.598 ( 2.376 0.000 -1.012) 2.583 7.777 ( 0.947 0.000 -7.953) 8.009 7.837 ( 7.575 0.000 -10.908) 13.280 8.000 ( -6.774 0.000 10.155) 12.207 8.134 ( 3.937 0.000 -1.523) 4.221 8.375 ( 1.759 0.000 -2.901) 3.393 8.474 ( 2.197 0.000 -1.584) 2.708 8.563 ( -7.533 0.000 1.595) 7.700 8.627 ( -1.819 0.000 2.856) 3.386 8.723 ( -7.272 0.000 2.175) 7.590 10.336 ( -14.641 0.000 -3.634) 15.085 16.642 ( -0.663 0.000 1.446) 1.591 16.737 ( 2.292 0.000 -2.445) 3.351 16.914 ( -1.499 0.000 -0.589) 1.610 16.969 ( -0.367 0.000 0.150) 0.397 17.313 ( 0.832 0.000 1.584) 1.789 17.435 ( 2.830 0.000 -0.926) 2.978 17.539 ( 4.689 0.000 -3.187) 5.670 17.768 ( 4.545 0.000 -0.154) 4.548 22.344 ( 0.485 0.000 0.322) 0.582 22.445 ( -1.611 0.000 4.648) 4.919 22.496 ( 0.194 0.000 0.212) 0.288 22.519 ( 0.054 0.000 3.318) 3.318 27.219 ( 1.171 0.000 -0.418) 1.243 27.257 ( -1.249 0.000 -0.130) 1.256 27.355 ( -1.230 0.000 -2.632) 2.906 27.409 ( -0.917 0.000 0.514) 1.051 36.869 ( 0.626 0.000 -1.823) 1.928 36.907 ( -0.604 0.000 1.000) 1.169 37.234 ( 3.144 0.000 -2.882) 4.265 37.565 ( 4.315 0.000 -1.708) 4.641 37.704 ( 0.166 0.000 6.799) 6.801 37.979 ( 3.836 0.000 2.888) 4.802 39.131 ( 11.530 0.000 -58.203) 59.335 39.247 ( -8.381 0.000 2.197) 8.664 ======================= Grid point 3 (4/126) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 25.351 0.000 14.046) 28.982 1.900 ( 27.327 0.000 -7.123) 28.240 2.377 ( -3.603 0.000 3.350) 4.920 2.480 ( 5.800 0.000 -10.873) 12.324 2.996 ( 3.043 0.000 -2.861) 4.177 3.017 ( 1.587 0.000 2.861) 3.272 3.062 ( -1.092 0.000 -1.453) 1.818 3.324 ( 21.481 0.000 -0.085) 21.481 3.391 ( 3.613 0.000 4.395) 5.689 3.428 ( 0.882 0.000 0.956) 1.301 3.604 ( -6.228 0.000 -2.620) 6.757 3.755 ( 0.909 0.000 -4.154) 4.252 3.829 ( -6.333 0.000 -9.176) 11.149 4.106 ( -3.604 0.000 -4.774) 5.982 4.405 ( 13.374 0.000 2.944) 13.694 4.703 ( 4.911 0.000 -2.894) 5.700 4.763 ( 0.689 0.000 -3.388) 3.457 5.093 ( 3.294 0.000 8.914) 9.504 5.132 ( 7.590 0.000 -0.354) 7.598 5.240 ( 14.909 0.000 -3.605) 15.339 5.289 ( 9.281 0.000 -3.910) 10.071 5.294 ( -8.824 0.000 3.483) 9.487 5.698 ( 0.995 0.000 -3.928) 4.052 5.800 ( -1.468 0.000 -6.289) 6.459 5.836 ( 6.476 0.000 -0.661) 6.510 6.090 ( 3.106 0.000 0.922) 3.240 6.222 ( 3.944 0.000 -4.893) 6.285 6.294 ( 1.592 0.000 -1.123) 1.948 6.589 ( -1.531 0.000 1.628) 2.235 6.784 ( -4.039 0.000 2.971) 5.014 6.821 ( 1.469 0.000 4.653) 4.879 6.909 ( -9.766 0.000 9.187) 13.408 7.029 ( 7.036 0.000 10.375) 12.536 7.132 ( -2.699 0.000 22.131) 22.295 7.206 ( 3.117 0.000 0.397) 3.142 7.225 ( -2.461 0.000 -5.541) 6.063 7.497 ( -0.882 0.000 -1.711) 1.925 7.692 ( 7.334 0.000 -4.466) 8.587 7.776 ( 3.141 0.000 -6.855) 7.540 7.816 ( -8.130 0.000 8.895) 12.050 7.956 ( -1.989 0.000 -5.667) 6.006 8.169 ( -1.629 0.000 1.350) 2.116 8.349 ( 1.157 0.000 -0.691) 1.348 8.443 ( -1.893 0.000 -3.487) 3.968 8.549 ( 5.457 0.000 -4.068) 6.806 8.625 ( 0.486 0.000 4.285) 4.312 8.681 ( 1.330 0.000 -0.226) 1.349 9.983 ( -22.890 0.000 4.814) 23.391 16.627 ( -1.439 0.000 1.287) 1.931 16.773 ( 2.396 0.000 -2.625) 3.554 16.888 ( -1.024 0.000 -0.381) 1.093 16.965 ( -0.050 0.000 0.424) 0.427 17.343 ( 1.676 0.000 1.282) 2.110 17.478 ( 2.140 0.000 -1.318) 2.513 17.620 ( 4.371 0.000 -1.276) 4.553 17.855 ( 4.393 0.000 0.078) 4.393 22.352 ( 0.313 0.000 0.187) 0.364 22.433 ( -0.981 0.000 2.046) 2.269 22.503 ( 0.332 0.000 0.314) 0.457 22.531 ( 0.112 0.000 2.297) 2.299 27.236 ( 0.724 0.000 -0.583) 0.930 27.239 ( -0.434 0.000 0.086) 0.442 27.326 ( -0.705 0.000 -2.473) 2.572 27.386 ( -1.625 0.000 0.352) 1.663 36.876 ( 1.013 0.000 -2.438) 2.640 36.880 ( -2.316 0.000 0.684) 2.415 37.261 ( 0.696 0.000 -2.148) 2.258 37.656 ( 5.579 0.000 -1.553) 5.791 37.711 ( -2.507 0.000 8.105) 8.484 38.088 ( 6.118 0.000 2.361) 6.558 39.092 ( -1.733 0.000 -13.443) 13.554 39.162 ( 2.778 0.000 -19.181) 19.382 ======================= Grid point 4 (5/126) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 20.428 0.000 10.697) 23.059 2.201 ( 6.428 0.000 -9.564) 11.524 2.457 ( 9.924 0.000 8.141) 12.836 2.504 ( 1.271 0.000 -5.903) 6.038 2.960 ( -2.637 0.000 -1.252) 2.919 3.034 ( -0.960 0.000 -1.042) 1.417 3.043 ( -0.027 0.000 2.172) 2.172 3.345 ( -10.513 0.000 -8.419) 13.469 3.372 ( -4.595 0.000 -1.867) 4.960 3.477 ( 3.421 0.000 6.697) 7.520 3.710 ( -3.837 0.000 -9.117) 9.892 3.735 ( 12.019 0.000 2.105) 12.202 3.804 ( 3.375 0.000 -1.215) 3.587 4.038 ( -2.409 0.000 -1.657) 2.923 4.616 ( 7.159 0.000 4.134) 8.267 4.757 ( 2.411 0.000 -5.340) 5.859 4.831 ( 6.972 0.000 -0.931) 7.034 5.126 ( -4.643 0.000 -3.315) 5.705 5.175 ( 1.884 0.000 6.722) 6.982 5.185 ( -6.307 0.000 4.425) 7.704 5.421 ( 6.440 0.000 -2.710) 6.987 5.527 ( 15.309 0.000 -2.920) 15.585 5.680 ( -2.552 0.000 -2.835) 3.814 5.858 ( 9.302 0.000 -2.064) 9.528 5.985 ( 8.106 0.000 -3.715) 8.917 6.171 ( 5.651 0.000 -3.790) 6.804 6.247 ( -0.172 0.000 -3.912) 3.915 6.364 ( 6.512 0.000 -1.252) 6.631 6.560 ( -2.372 0.000 2.314) 3.314 6.657 ( -6.372 0.000 9.099) 11.108 6.762 ( -9.012 0.000 5.499) 10.557 6.825 ( -4.346 0.000 2.925) 5.239 7.082 ( -5.305 0.000 4.330) 6.848 7.105 ( -2.667 0.000 5.674) 6.270 7.244 ( 2.782 0.000 2.176) 3.532 7.267 ( 2.592 0.000 -0.344) 2.614 7.452 ( -2.235 0.000 -0.134) 2.239 7.724 ( 0.456 0.000 -7.043) 7.058 7.726 ( -3.526 0.000 8.839) 9.516 7.839 ( -5.894 0.000 -3.399) 6.804 7.897 ( 6.675 0.000 -2.660) 7.185 8.066 ( -8.292 0.000 8.258) 11.703 8.450 ( 7.236 0.000 -3.712) 8.133 8.571 ( 18.381 0.000 -12.938) 22.477 8.601 ( 0.925 0.000 1.111) 1.445 8.678 ( 3.408 0.000 -0.074) 3.408 8.720 ( 2.078 0.000 -0.388) 2.114 9.524 ( -28.001 0.000 9.535) 29.580 16.604 ( -1.133 0.000 0.700) 1.331 16.803 ( 1.563 0.000 -1.948) 2.498 16.873 ( -0.489 0.000 0.131) 0.506 16.968 ( 0.092 0.000 0.402) 0.412 17.378 ( 1.446 0.000 0.724) 1.617 17.505 ( 1.114 0.000 -0.875) 1.417 17.684 ( 2.572 0.000 -0.447) 2.610 17.922 ( 2.515 0.000 0.091) 2.517 22.357 ( 0.120 0.000 0.056) 0.133 22.424 ( -0.488 0.000 0.825) 0.959 22.510 ( 0.265 0.000 0.239) 0.357 22.539 ( 0.081 0.000 1.165) 1.168 27.240 ( 0.036 0.000 -0.577) 0.578 27.242 ( 0.590 0.000 0.252) 0.641 27.313 ( 0.012 0.000 -1.316) 1.317 27.353 ( -1.804 0.000 0.048) 1.805 36.839 ( -1.920 0.000 0.266) 1.939 36.889 ( 1.082 0.000 -1.928) 2.210 37.255 ( -0.369 0.000 -0.986) 1.053 37.674 ( -3.492 0.000 5.557) 6.563 37.745 ( 3.774 0.000 -0.800) 3.857 38.200 ( 4.461 0.000 1.136) 4.603 39.044 ( -0.131 0.000 -2.946) 2.949 39.147 ( 1.473 0.000 -12.728) 12.813 ======================= Grid point 5 (6/126) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 0.000 0.000 0.000) 0.000 2.438 ( -0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 -0.000) 0.000 2.594 ( 0.000 0.000 -0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 -0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 -0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 -0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 -0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.983 ( -0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.536 ( -0.000 0.000 0.000) 0.000 6.546 ( -0.000 0.000 -0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 -0.000) 0.000 6.779 ( -0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 -0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.759 ( 0.000 0.000 -0.000) 0.000 7.933 ( -0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 -0.000) 0.000 8.519 ( -0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.737 ( 0.000 0.000 0.000) 0.000 8.906 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 -0.000) 0.000 16.594 ( 0.000 0.000 0.000) 0.000 16.815 ( 0.000 0.000 0.000) 0.000 16.869 ( 0.000 0.000 0.000) 0.000 16.970 ( 0.000 0.000 0.000) 0.000 17.394 ( 0.000 0.000 0.000) 0.000 17.514 ( 0.000 0.000 0.000) 0.000 17.708 ( 0.000 0.000 -0.000) 0.000 17.946 ( 0.000 0.000 0.000) 0.000 22.358 ( 0.000 0.000 0.000) 0.000 22.421 ( 0.000 0.000 0.000) 0.000 22.513 ( 0.000 0.000 0.000) 0.000 22.542 ( 0.000 0.000 -0.000) 0.000 27.239 ( 0.000 0.000 0.000) 0.000 27.252 ( 0.000 0.000 0.000) 0.000 27.312 ( 0.000 0.000 -0.000) 0.000 27.332 ( 0.000 0.000 0.000) 0.000 36.820 ( 0.000 0.000 -0.000) 0.000 36.897 ( 0.000 0.000 0.000) 0.000 37.249 ( 0.000 0.000 0.000) 0.000 37.646 ( 0.000 0.000 -0.000) 0.000 37.780 ( 0.000 0.000 -0.000) 0.000 38.246 ( 0.000 0.000 0.000) 0.000 39.044 ( 0.000 0.000 0.000) 0.000 39.134 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/126) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 0.000 24.820 0.000) 24.820 0.822 ( 0.000 36.710 0.000) 36.710 1.226 ( 0.000 50.183 0.000) 50.183 2.311 ( 0.000 -18.078 0.000) 18.078 2.667 ( 0.000 -15.598 0.000) 15.598 2.834 ( 0.000 3.937 0.000) 3.937 3.036 ( 0.000 -1.552 0.000) 1.552 3.067 ( 0.000 6.223 0.000) 6.223 3.193 ( 0.000 0.216 0.000) 0.216 3.459 ( 0.000 15.989 0.000) 15.989 3.527 ( 0.000 -4.301 0.000) 4.301 3.900 ( 0.000 -0.884 0.000) 0.884 3.985 ( 0.000 3.469 0.000) 3.469 4.250 ( 0.000 -3.340 0.000) 3.340 4.433 ( 0.000 -1.274 0.000) 1.274 4.475 ( 0.000 0.700 0.000) 0.700 4.770 ( 0.000 6.499 0.000) 6.499 5.005 ( 0.000 3.479 0.000) 3.479 5.022 ( 0.000 0.339 0.000) 0.339 5.147 ( 0.000 2.103 0.000) 2.103 5.203 ( 0.000 2.322 0.000) 2.322 5.341 ( 0.000 -5.583 0.000) 5.583 5.366 ( 0.000 1.204 0.000) 1.204 5.630 ( 0.000 -5.168 0.000) 5.168 6.027 ( 0.000 -3.885 0.000) 3.885 6.050 ( 0.000 -2.119 0.000) 2.119 6.098 ( 0.000 -6.351 0.000) 6.351 6.164 ( 0.000 -2.600 0.000) 2.600 6.246 ( 0.000 -6.717 0.000) 6.717 6.430 ( 0.000 -0.283 0.000) 0.283 6.523 ( 0.000 0.290 0.000) 0.290 6.674 ( 0.000 -1.126 0.000) 1.126 6.749 ( 0.000 1.125 0.000) 1.125 7.237 ( 0.000 2.142 0.000) 2.142 7.447 ( 0.000 -13.932 0.000) 13.932 7.504 ( 0.000 9.023 0.000) 9.023 7.547 ( 0.000 -11.147 0.000) 11.147 7.593 ( 0.000 4.353 0.000) 4.353 7.625 ( 0.000 3.177 0.000) 3.177 7.650 ( 0.000 0.112 0.000) 0.112 7.926 ( 0.000 3.417 0.000) 3.417 8.076 ( 0.000 -5.635 0.000) 5.635 8.382 ( 0.000 3.956 0.000) 3.956 8.609 ( 0.000 -3.215 0.000) 3.215 8.640 ( 0.000 2.997 0.000) 2.997 8.694 ( 0.000 -1.515 0.000) 1.515 9.114 ( 0.000 19.519 0.000) 19.519 10.477 ( 0.000 -10.810 0.000) 10.810 16.733 ( 0.000 3.026 0.000) 3.026 16.774 ( 0.000 1.575 0.000) 1.575 16.907 ( 0.000 -1.473 0.000) 1.473 16.961 ( 0.000 -1.550 0.000) 1.550 17.297 ( 0.000 0.089 0.000) 0.089 17.322 ( 0.000 -0.876 0.000) 0.876 17.398 ( 0.000 2.648 0.000) 2.648 17.642 ( 0.000 -2.940 0.000) 2.940 22.356 ( 0.000 0.059 0.000) 0.059 22.358 ( 0.000 0.019 0.000) 0.019 22.493 ( 0.000 0.015 0.000) 0.015 22.498 ( 0.000 -0.085 0.000) 0.085 27.212 ( 0.000 1.764 0.000) 1.764 27.305 ( 0.000 1.134 0.000) 1.134 27.383 ( 0.000 -1.404 0.000) 1.404 27.403 ( 0.000 -1.379 0.000) 1.379 36.896 ( 0.000 2.968 0.000) 2.968 37.124 ( 0.000 -1.905 0.000) 1.905 37.152 ( 0.000 1.437 0.000) 1.437 37.292 ( 0.000 -1.454 0.000) 1.454 37.675 ( 0.000 1.775 0.000) 1.775 37.887 ( 0.000 -2.699 0.000) 2.699 39.444 ( 0.000 0.069 0.000) 0.069 39.445 ( 0.000 0.039 0.000) 0.039 ======================= Grid point 12 (8/126) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 18.134 16.350 0.490) 24.422 1.023 ( 20.079 24.955 -1.451) 32.063 1.711 ( 41.805 34.043 -2.550) 53.973 2.309 ( 0.045 -16.256 -1.749) 16.350 2.717 ( 3.995 -13.403 -1.777) 14.098 2.824 ( 0.085 4.714 -0.877) 4.795 3.015 ( -2.671 -1.180 -0.818) 3.032 3.086 ( 3.148 3.416 2.018) 5.064 3.224 ( 2.788 0.361 1.175) 3.047 3.447 ( 0.938 11.631 3.928) 12.312 3.652 ( 5.681 -2.139 -0.331) 6.080 3.917 ( 3.797 3.313 -10.303) 11.469 4.001 ( 1.452 1.143 3.053) 3.569 4.197 ( -4.317 -1.835 -4.370) 6.411 4.351 ( -12.615 1.839 0.323) 12.752 4.487 ( 5.995 -0.834 -3.882) 7.191 4.641 ( 2.694 6.586 -1.177) 7.212 4.889 ( 3.636 9.712 0.053) 10.370 5.080 ( -9.449 1.381 -9.608) 13.546 5.106 ( -2.046 4.109 4.453) 6.395 5.207 ( 1.169 1.616 -2.343) 3.077 5.396 ( 7.943 -8.323 -1.063) 11.553 5.566 ( 7.637 -4.752 1.367) 9.098 5.667 ( 1.843 -3.999 3.439) 5.588 5.941 ( -1.446 -5.807 -1.143) 6.092 6.044 ( -1.405 5.845 -3.123) 6.775 6.072 ( -4.259 -8.562 -2.617) 9.915 6.248 ( 4.913 -7.116 3.411) 9.295 6.346 ( 10.232 -4.260 -1.385) 11.170 6.477 ( 3.679 -2.249 4.259) 6.061 6.593 ( 8.087 -0.213 2.062) 8.349 6.692 ( 0.932 2.229 0.852) 2.561 6.897 ( 2.745 -5.127 31.991) 32.516 7.178 ( -4.833 3.630 4.530) 7.553 7.394 ( -6.360 -7.927 3.596) 10.780 7.450 ( -4.475 3.933 0.726) 6.002 7.520 ( -3.153 -2.808 3.638) 5.573 7.583 ( -1.850 -2.399 2.852) 4.161 7.665 ( 3.962 4.289 -2.025) 6.181 7.704 ( 7.323 -1.519 -10.424) 12.829 7.976 ( 5.246 2.584 -6.232) 8.546 8.148 ( 4.392 -4.645 3.629) 7.351 8.326 ( -3.615 3.695 1.923) 5.516 8.576 ( -3.384 -4.335 0.977) 5.585 8.628 ( -3.179 2.331 0.961) 4.057 8.664 ( -0.720 -1.838 -1.677) 2.590 9.031 ( -8.514 19.713 1.909) 21.558 10.405 ( -6.126 -11.986 -5.752) 14.638 16.672 ( -4.166 3.339 1.053) 5.442 16.745 ( -0.183 2.104 -0.716) 2.230 16.906 ( -0.944 -2.261 -0.175) 2.456 16.966 ( -0.324 -1.896 -0.761) 2.069 17.304 ( 0.793 0.354 0.584) 1.047 17.361 ( 2.898 -1.747 -0.243) 3.393 17.477 ( 6.492 1.822 -2.801) 7.301 17.686 ( 4.064 -1.991 -0.512) 4.554 22.343 ( 0.154 0.641 -0.020) 0.660 22.407 ( 0.697 -2.291 6.686) 7.102 22.495 ( 0.082 0.050 0.406) 0.418 22.502 ( 0.278 -0.166 0.748) 0.815 27.218 ( 0.641 1.633 -0.044) 1.755 27.294 ( -1.008 1.134 -0.271) 1.541 27.373 ( -0.838 -1.109 -1.230) 1.856 27.400 ( -0.231 -1.521 -0.156) 1.546 36.823 ( -4.215 2.118 -0.502) 4.744 37.053 ( -3.348 1.519 3.176) 4.859 37.201 ( 5.836 3.358 -3.250) 7.477 37.461 ( 8.836 -3.397 -2.332) 9.750 37.698 ( 1.320 2.084 3.818) 4.545 37.901 ( 1.230 -2.379 2.168) 3.446 39.257 ( 0.430 6.019 -58.171) 58.483 39.385 ( -7.627 -0.572 5.196) 9.247 ======================= Grid point 13 (9/126) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 25.847 4.170 4.694) 26.598 1.451 ( 24.106 10.093 -1.695) 26.189 2.307 ( 0.737 -11.060 -0.318) 11.089 2.477 ( 32.023 18.609 -8.400) 37.978 2.754 ( 5.682 -1.169 -0.863) 5.865 2.882 ( 4.240 -3.163 0.578) 5.321 2.970 ( -1.050 -3.350 0.347) 3.528 3.175 ( 5.931 3.065 1.883) 6.936 3.300 ( 3.923 -0.842 2.829) 4.910 3.505 ( 3.033 11.072 2.421) 11.733 3.677 ( -0.607 -0.590 -2.210) 2.367 3.877 ( -4.723 3.513 -9.263) 10.975 3.987 ( -6.508 -1.889 -4.753) 8.277 4.143 ( -2.529 0.068 -1.589) 2.987 4.256 ( 8.239 3.426 -2.132) 9.174 4.575 ( 4.053 -1.956 -3.595) 5.760 4.782 ( 6.010 -0.360 -3.405) 6.917 4.955 ( 1.573 2.857 -2.775) 4.282 5.040 ( 12.973 7.441 -0.591) 14.967 5.120 ( 1.767 5.958 5.162) 8.079 5.226 ( 1.841 2.441 0.495) 3.097 5.411 ( -2.230 -4.489 0.439) 5.031 5.662 ( -1.443 -7.221 -1.844) 7.592 5.683 ( 1.758 2.093 -3.416) 4.375 5.896 ( -2.749 -12.173 5.380) 13.590 6.033 ( 2.254 10.343 -5.053) 11.730 6.098 ( 6.733 -7.846 -5.538) 11.729 6.279 ( -0.144 -1.964 0.516) 2.036 6.516 ( 5.519 -6.546 2.054) 8.805 6.605 ( 7.856 -5.679 3.574) 10.331 6.712 ( 2.765 2.908 -1.389) 4.246 6.819 ( 9.597 1.518 11.679) 15.192 6.990 ( -2.157 -5.637 26.974) 27.641 7.145 ( -0.134 -0.009 -0.111) 0.174 7.255 ( -8.834 1.859 4.764) 10.207 7.338 ( -6.670 0.803 -0.205) 6.721 7.498 ( 0.069 -0.749 -0.817) 1.111 7.567 ( -1.175 -4.472 2.556) 5.283 7.702 ( 2.283 4.015 -6.325) 7.832 7.842 ( 9.421 -2.762 -9.192) 13.449 8.043 ( 2.807 3.581 -4.854) 6.653 8.143 ( -5.300 3.495 9.057) 11.061 8.385 ( 8.499 -5.557 -2.195) 10.389 8.449 ( -11.385 -3.366 5.648) 13.147 8.559 ( -1.244 -1.833 -3.874) 4.462 8.678 ( 0.877 -1.618 -1.836) 2.600 8.851 ( -10.006 21.606 4.323) 24.199 10.211 ( -13.566 -11.272 0.493) 17.645 16.629 ( -1.425 0.336 1.205) 1.897 16.740 ( -0.100 0.419 -1.051) 1.136 16.882 ( -1.263 -2.178 -0.492) 2.566 16.945 ( -1.269 -2.772 -0.206) 3.056 17.333 ( 1.992 1.334 0.455) 2.440 17.418 ( 3.204 -1.322 -0.883) 3.577 17.587 ( 5.975 3.776 -1.774) 7.287 17.774 ( 5.298 -0.083 -0.495) 5.322 22.350 ( 0.417 0.564 0.377) 0.796 22.424 ( -0.588 -1.583 3.719) 4.084 22.499 ( 0.185 0.168 0.427) 0.495 22.514 ( 0.355 -0.358 2.026) 2.088 27.232 ( 0.660 1.184 0.022) 1.355 27.271 ( -1.116 1.146 -0.609) 1.711 27.347 ( -1.115 -0.742 -2.168) 2.548 27.392 ( -0.623 -1.401 0.067) 1.535 36.773 ( -1.180 -1.058 -1.500) 2.182 37.005 ( -3.150 -0.273 0.747) 3.248 37.305 ( 5.333 6.568 -2.441) 8.805 37.576 ( 5.055 0.390 -1.175) 5.204 37.740 ( 0.994 3.028 6.752) 7.467 37.958 ( 3.856 -1.958 3.434) 5.522 39.138 ( 5.498 0.704 -44.577) 44.921 39.233 ( -8.339 -1.239 -0.432) 8.442 ======================= Grid point 14 (10/126) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 25.635 -1.502 6.625) 26.520 1.864 ( 19.754 -1.128 -5.445) 20.522 2.358 ( 4.215 -0.509 5.855) 7.232 2.633 ( 1.549 6.887 -7.605) 10.376 2.856 ( -1.106 -7.013 -2.392) 7.491 2.963 ( 1.643 -3.154 3.161) 4.758 3.061 ( 4.192 1.026 1.988) 4.752 3.369 ( 2.244 -2.364 3.030) 4.450 3.425 ( 17.353 6.844 -3.774) 19.031 3.534 ( -2.226 6.096 -1.883) 6.757 3.640 ( -0.754 4.397 -0.672) 4.512 3.752 ( -2.962 0.543 -5.379) 6.164 3.837 ( -4.931 0.829 -6.720) 8.376 4.089 ( -1.219 -2.499 -3.800) 4.709 4.465 ( 10.334 2.671 -1.518) 10.781 4.623 ( 2.749 -2.816 -3.245) 5.101 4.807 ( 1.994 3.208 -1.728) 4.154 5.036 ( 3.527 -3.921 -2.964) 6.050 5.159 ( 0.658 -0.001 5.901) 5.938 5.269 ( 1.565 3.586 4.653) 6.079 5.353 ( 11.747 3.956 0.634) 12.412 5.429 ( 8.920 7.727 -4.287) 12.556 5.632 ( 1.606 -6.174 -2.542) 6.868 5.673 ( 1.211 -3.429 -0.872) 3.739 5.896 ( 0.762 -1.821 -1.342) 2.387 6.082 ( 4.207 5.385 -2.334) 7.221 6.206 ( 5.255 -2.863 -3.874) 7.129 6.300 ( 3.524 0.639 -0.801) 3.670 6.564 ( -0.017 -3.779 1.860) 4.211 6.721 ( -1.294 -2.324 2.154) 3.423 6.758 ( 3.186 -2.677 6.638) 7.835 6.979 ( 1.590 -2.791 9.961) 10.466 7.040 ( -8.882 2.256 0.141) 9.165 7.078 ( 1.146 -3.326 17.289) 17.644 7.211 ( -0.794 0.798 6.543) 6.639 7.257 ( 2.833 1.793 -4.476) 5.593 7.486 ( -1.450 -1.956 -1.648) 2.940 7.571 ( 1.120 -2.980 -1.786) 3.651 7.707 ( 0.383 -2.067 -5.844) 6.211 7.902 ( -4.284 -5.034 -0.746) 6.652 7.995 ( -4.526 7.435 5.264) 10.172 8.161 ( 5.687 -0.118 -6.581) 8.699 8.307 ( -1.135 -0.985 -0.691) 1.654 8.512 ( 1.383 -7.344 1.465) 7.615 8.576 ( 3.572 2.068 -3.038) 5.125 8.591 ( -5.285 4.765 2.481) 7.536 8.800 ( 2.959 13.371 -0.548) 13.705 9.901 ( -20.484 -8.038 6.111) 22.837 16.611 ( -1.136 -0.767 1.210) 1.828 16.735 ( 0.066 -2.444 -1.398) 2.816 16.859 ( -0.923 -2.013 -0.370) 2.245 16.928 ( -0.479 -3.332 0.276) 3.378 17.377 ( 2.418 2.267 0.166) 3.319 17.469 ( 2.480 -0.759 -1.094) 2.815 17.685 ( 4.856 5.206 -0.833) 7.168 17.871 ( 4.848 0.928 -0.170) 4.939 22.358 ( 0.265 0.511 0.258) 0.631 22.421 ( -0.631 -0.983 1.750) 2.104 22.506 ( 0.316 0.234 0.456) 0.602 22.527 ( 0.255 -0.349 1.846) 1.896 27.237 ( -0.090 0.451 0.223) 0.512 27.255 ( -0.269 0.944 -0.865) 1.308 27.323 ( -0.437 -0.213 -2.008) 2.066 27.375 ( -1.224 -0.954 0.016) 1.552 36.758 ( 0.050 -3.147 -1.523) 3.497 36.935 ( -4.085 -1.918 -0.804) 4.584 37.364 ( 1.554 8.436 -0.476) 8.591 37.653 ( 2.772 0.158 -0.311) 2.793 37.780 ( 0.964 5.012 6.518) 8.279 38.066 ( 5.997 -2.019 2.691) 6.876 39.080 ( -1.470 -0.972 -14.499) 14.605 39.129 ( 1.465 -2.537 -15.871) 16.139 ======================= Grid point 15 (11/126) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 15.296 -5.544 -7.599) 17.957 2.133 ( 15.138 -3.325 7.976) 17.431 2.459 ( 1.026 4.182 4.371) 6.136 2.663 ( 5.075 7.863 -1.939) 9.557 2.843 ( 1.445 -6.299 0.606) 6.491 2.981 ( -0.179 -4.588 1.801) 4.932 3.072 ( -1.477 1.229 0.834) 2.095 3.327 ( -11.997 -1.384 -7.660) 14.301 3.417 ( 0.136 -0.084 0.820) 0.836 3.487 ( -1.666 4.924 1.610) 5.442 3.656 ( -4.299 -2.985 -8.428) 9.921 3.805 ( 2.053 0.528 -2.447) 3.238 3.850 ( 10.301 7.088 2.769) 12.807 4.063 ( -0.459 -0.428 -3.105) 3.167 4.587 ( 3.981 -4.989 -0.029) 6.382 4.660 ( 1.962 -1.275 -2.462) 3.397 4.859 ( 2.421 0.196 -0.347) 2.453 5.029 ( -2.559 -3.431 -1.188) 4.442 5.156 ( -1.051 0.249 1.861) 2.152 5.337 ( 4.170 7.169 2.598) 8.691 5.503 ( 2.466 2.277 -2.067) 3.942 5.557 ( 7.600 1.784 1.388) 7.929 5.690 ( 2.046 -3.106 -2.218) 4.330 5.809 ( 9.286 3.789 1.435) 10.131 5.960 ( 8.076 -3.523 -3.363) 9.431 6.137 ( 3.076 5.768 -4.710) 8.057 6.298 ( 7.244 -1.335 -1.594) 7.536 6.407 ( 7.050 2.517 -2.457) 7.878 6.560 ( -0.789 -1.815 2.317) 3.047 6.630 ( -8.142 -0.324 3.117) 8.724 6.779 ( -7.203 -2.158 4.430) 8.727 6.842 ( -6.587 2.508 5.747) 9.095 6.999 ( -3.331 -1.487 0.502) 3.682 7.108 ( 0.595 -4.704 7.858) 9.177 7.268 ( 1.556 5.127 3.528) 6.415 7.349 ( 5.036 2.460 -0.045) 5.605 7.446 ( -1.387 -0.679 -0.073) 1.546 7.537 ( -3.343 -5.624 -3.507) 7.423 7.671 ( -3.289 -8.423 -1.008) 9.099 7.768 ( -5.755 -4.058 3.919) 8.059 8.001 ( 3.304 5.423 -0.826) 6.403 8.227 ( -2.059 9.457 1.469) 9.789 8.356 ( 8.437 -7.162 -8.770) 14.120 8.495 ( 1.895 1.257 -0.986) 2.479 8.536 ( -0.291 -6.447 2.405) 6.887 8.700 ( 4.890 0.644 -0.927) 5.018 8.888 ( 7.359 10.717 -3.846) 13.557 9.502 ( -23.873 -2.990 9.142) 25.737 16.594 ( -0.924 -0.581 0.758) 1.329 16.735 ( 0.431 -4.780 -1.057) 4.914 16.845 ( -0.486 -2.056 -0.113) 2.116 16.926 ( -0.012 -3.496 0.300) 3.509 17.418 ( 1.627 2.618 0.059) 3.082 17.501 ( 1.304 -0.295 -0.721) 1.518 17.757 ( 2.768 5.827 -0.303) 6.458 17.944 ( 2.776 1.450 -0.024) 3.132 22.362 ( 0.094 0.467 0.096) 0.485 22.415 ( -0.362 -0.724 0.713) 1.079 22.513 ( 0.249 0.253 0.312) 0.473 22.536 ( 0.137 -0.305 1.014) 1.068 27.238 ( 0.162 0.061 -0.029) 0.175 27.248 ( -0.114 0.251 -0.394) 0.481 27.316 ( 0.164 0.279 -1.035) 1.084 27.349 ( -1.371 -0.343 -0.144) 1.421 36.763 ( 0.999 -3.930 -0.772) 4.128 36.858 ( -3.495 -3.464 -1.111) 5.044 37.374 ( -0.027 8.738 0.130) 8.739 37.661 ( -1.631 -0.225 2.359) 2.877 37.832 ( 2.434 6.268 1.858) 6.976 38.177 ( 4.379 -2.176 1.319) 5.065 39.031 ( -0.075 -0.952 -3.755) 3.875 39.113 ( 1.448 -2.840 -11.544) 11.976 ======================= Grid point 16 (12/126) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.000 -0.719 0.000) 0.719 2.357 ( 0.000 -7.855 0.000) 7.855 2.441 ( 0.000 2.017 0.000) 2.017 2.731 ( 0.000 7.206 -0.000) 7.206 2.899 ( 0.000 -2.477 -0.000) 2.477 2.989 ( 0.000 -2.624 -0.000) 2.624 3.049 ( 0.000 1.467 0.000) 1.467 3.137 ( 0.000 -3.977 0.000) 3.977 3.406 ( 0.000 6.360 -0.000) 6.360 3.500 ( -0.000 -3.853 -0.000) 3.853 3.578 ( 0.000 -1.900 0.000) 1.900 3.818 ( 0.000 -0.969 0.000) 0.969 3.955 ( 0.000 6.093 -0.000) 6.093 4.051 ( 0.000 0.452 0.000) 0.452 4.630 ( 0.000 -9.059 0.000) 9.059 4.674 ( 0.000 -1.307 0.000) 1.307 4.875 ( 0.000 -4.013 0.000) 4.013 4.992 ( 0.000 1.033 0.000) 1.033 5.153 ( 0.000 3.987 0.000) 3.987 5.388 ( 0.000 9.905 0.000) 9.905 5.513 ( 0.000 0.047 0.000) 0.047 5.650 ( 0.000 -5.390 0.000) 5.390 5.695 ( 0.000 1.544 -0.000) 1.544 5.950 ( -0.000 -2.232 -0.000) 2.232 5.980 ( 0.000 4.422 0.000) 4.422 6.236 ( 0.000 2.101 0.000) 2.101 6.410 ( 0.000 5.213 0.000) 5.213 6.462 ( 0.000 -3.205 0.000) 3.205 6.542 ( -0.000 -0.782 0.000) 0.782 6.543 ( 0.000 -0.623 -0.000) 0.623 6.637 ( 0.000 1.657 0.000) 1.657 6.803 ( 0.000 1.660 0.000) 1.660 6.963 ( 0.000 -0.417 0.000) 0.417 7.136 ( 0.000 -6.482 0.000) 6.482 7.266 ( 0.000 10.575 -0.000) 10.575 7.393 ( 0.000 3.242 0.000) 3.242 7.450 ( 0.000 1.022 0.000) 1.022 7.505 ( 0.000 -11.190 0.000) 11.190 7.610 ( 0.000 -6.625 -0.000) 6.625 7.731 ( 0.000 -4.690 -0.000) 4.690 8.050 ( 0.000 3.783 0.000) 3.783 8.168 ( 0.000 11.502 -0.000) 11.502 8.482 ( -0.000 -2.352 0.000) 2.352 8.489 ( 0.000 -8.177 -0.000) 8.177 8.568 ( 0.000 -7.472 0.000) 7.472 8.742 ( 0.000 0.426 0.000) 0.426 9.045 ( 0.000 7.069 0.000) 7.069 9.169 ( -0.000 3.573 0.000) 3.573 16.586 ( 0.000 -0.440 0.000) 0.440 16.738 ( 0.000 -5.461 0.000) 5.461 16.840 ( 0.000 -2.167 0.000) 2.167 16.927 ( 0.000 -3.563 0.000) 3.563 17.434 ( 0.000 2.655 0.000) 2.655 17.512 ( 0.000 -0.118 0.000) 0.118 17.783 ( 0.000 5.999 -0.000) 5.999 17.971 ( 0.000 1.632 0.000) 1.632 22.363 ( 0.000 0.450 0.000) 0.450 22.413 ( 0.000 -0.651 0.000) 0.651 22.516 ( 0.000 0.254 0.000) 0.254 22.539 ( 0.000 -0.287 -0.000) 0.287 27.239 ( 0.000 0.010 0.000) 0.010 27.250 ( 0.000 -0.219 0.000) 0.219 27.317 ( 0.000 0.387 0.000) 0.387 27.333 ( 0.000 0.074 0.000) 0.074 36.782 ( 0.000 -2.893 0.000) 2.893 36.811 ( 0.000 -5.366 0.000) 5.366 37.373 ( 0.000 8.706 0.000) 8.706 37.645 ( 0.000 0.130 0.000) 0.130 37.861 ( 0.000 6.300 -0.000) 6.300 38.223 ( 0.000 -2.237 0.000) 2.237 39.030 ( 0.000 -1.087 0.000) 1.087 39.103 ( 0.000 -2.602 -0.000) 2.602 ======================= Grid point 22 (13/126) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 0.000 24.831 0.000) 24.831 1.572 ( 0.000 31.993 0.000) 31.993 1.578 ( 0.000 -18.426 0.000) 18.426 2.191 ( 0.000 -23.633 0.000) 23.633 2.528 ( 0.000 33.903 0.000) 33.903 2.927 ( 0.000 3.202 0.000) 3.202 3.018 ( 0.000 -0.982 0.000) 0.982 3.154 ( 0.000 2.539 0.000) 2.539 3.175 ( 0.000 -4.907 0.000) 4.907 3.250 ( 0.000 -18.458 0.000) 18.458 3.797 ( 0.000 13.567 0.000) 13.567 3.929 ( 0.000 1.894 0.000) 1.894 4.033 ( 0.000 0.605 0.000) 0.605 4.114 ( 0.000 -8.108 0.000) 8.108 4.457 ( 0.000 2.321 0.000) 2.321 4.486 ( 0.000 -0.105 0.000) 0.105 4.916 ( 0.000 6.849 0.000) 6.849 5.048 ( 0.000 -2.909 0.000) 2.909 5.090 ( 0.000 3.907 0.000) 3.907 5.152 ( 0.000 -0.488 0.000) 0.488 5.263 ( 0.000 2.595 0.000) 2.595 5.303 ( 0.000 4.637 0.000) 4.637 5.432 ( 0.000 5.898 0.000) 5.898 5.512 ( 0.000 -4.274 0.000) 4.274 5.746 ( 0.000 -18.047 0.000) 18.047 5.756 ( 0.000 -13.874 0.000) 13.874 6.089 ( 0.000 0.532 0.000) 0.532 6.095 ( 0.000 0.426 0.000) 0.426 6.323 ( 0.000 5.022 0.000) 5.022 6.403 ( 0.000 -2.266 0.000) 2.266 6.544 ( 0.000 1.864 0.000) 1.864 6.609 ( 0.000 -3.804 0.000) 3.804 6.853 ( 0.000 8.131 0.000) 8.131 7.092 ( 0.000 -14.008 0.000) 14.008 7.298 ( 0.000 3.758 0.000) 3.758 7.402 ( 0.000 -5.622 0.000) 5.622 7.653 ( 0.000 1.764 0.000) 1.764 7.665 ( 0.000 0.423 0.000) 0.423 7.752 ( 0.000 8.407 0.000) 8.407 7.759 ( 0.000 11.435 0.000) 11.435 7.925 ( 0.000 -7.632 0.000) 7.632 7.951 ( 0.000 -3.666 0.000) 3.666 8.453 ( 0.000 2.513 0.000) 2.513 8.524 ( 0.000 -4.128 0.000) 4.128 8.608 ( 0.000 -0.681 0.000) 0.681 8.645 ( 0.000 -2.735 0.000) 2.735 9.646 ( 0.000 25.298 0.000) 25.298 10.142 ( 0.000 -19.701 0.000) 19.701 16.806 ( 0.000 2.988 0.000) 2.988 16.829 ( 0.000 3.664 0.000) 3.664 16.864 ( 0.000 -2.416 0.000) 2.416 16.909 ( 0.000 -3.241 0.000) 3.241 17.300 ( 0.000 0.245 0.000) 0.245 17.308 ( 0.000 -0.483 0.000) 0.483 17.469 ( 0.000 3.848 0.000) 3.848 17.560 ( 0.000 -4.303 0.000) 4.303 22.357 ( 0.000 0.064 0.000) 0.064 22.358 ( 0.000 -0.016 0.000) 0.016 22.494 ( 0.000 0.065 0.000) 0.065 22.496 ( 0.000 -0.109 0.000) 0.109 27.265 ( 0.000 2.968 0.000) 2.968 27.332 ( 0.000 -3.021 0.000) 3.021 27.336 ( 0.000 1.654 0.000) 1.654 27.372 ( 0.000 -1.529 0.000) 1.529 36.978 ( 0.000 4.213 0.000) 4.213 37.064 ( 0.000 -3.532 0.000) 3.532 37.194 ( 0.000 2.389 0.000) 2.389 37.248 ( 0.000 -2.409 0.000) 2.409 37.731 ( 0.000 3.315 0.000) 3.315 37.812 ( 0.000 -3.900 0.000) 3.900 39.446 ( 0.000 0.044 0.000) 0.044 39.446 ( 0.000 0.021 0.000) 0.021 ======================= Grid point 23 (14/126) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 7.910 21.419 -2.050) 22.924 1.489 ( 2.063 3.180 -3.226) 4.978 1.868 ( 17.770 3.662 -2.833) 18.363 2.286 ( 8.949 -20.907 -3.013) 22.941 2.631 ( 11.000 26.860 2.620) 29.143 2.910 ( -1.376 -0.030 0.512) 1.469 3.028 ( 2.868 5.477 -1.660) 6.402 3.164 ( 1.531 3.062 1.927) 3.929 3.214 ( 2.003 -1.386 1.775) 3.014 3.361 ( 10.062 -17.488 -0.738) 20.190 3.777 ( -1.638 11.438 -0.163) 11.556 3.971 ( 0.928 -4.559 -1.901) 5.026 4.042 ( 2.335 5.316 -5.038) 7.687 4.145 ( 3.729 -3.074 -0.607) 4.871 4.378 ( -9.449 2.876 0.350) 9.884 4.456 ( 1.178 -2.902 -2.736) 4.159 4.849 ( -2.786 12.022 -2.609) 12.613 5.048 ( -2.694 -0.626 -5.894) 6.510 5.101 ( 2.896 1.615 -0.349) 3.334 5.137 ( -2.109 -0.350 -1.739) 2.756 5.270 ( 5.047 2.953 0.528) 5.871 5.384 ( 2.157 9.234 0.276) 9.487 5.417 ( 5.729 -8.788 0.415) 10.499 5.585 ( 2.749 -0.085 2.738) 3.881 5.699 ( -3.443 -16.995 -1.616) 17.415 5.754 ( 1.185 -11.575 -2.261) 11.854 6.145 ( 4.010 1.406 2.248) 4.807 6.168 ( 4.808 -0.326 3.624) 6.030 6.349 ( 2.647 3.252 2.666) 4.969 6.427 ( 0.924 -2.926 5.728) 6.498 6.608 ( 7.193 1.987 -1.247) 7.566 6.677 ( 5.260 -3.570 2.342) 6.775 6.911 ( 3.642 6.180 6.164) 9.458 7.112 ( 0.699 -11.805 4.709) 12.729 7.278 ( -1.992 4.555 -0.588) 5.006 7.393 ( -0.628 -5.700 -0.171) 5.737 7.552 ( -7.807 4.138 1.777) 9.013 7.613 ( -4.524 -0.997 -0.262) 4.640 7.789 ( 4.269 8.035 -0.859) 9.139 7.826 ( 4.652 9.175 -6.001) 11.910 7.971 ( 3.676 -6.824 2.978) 8.303 8.001 ( 5.805 -5.182 -4.946) 9.220 8.425 ( -4.312 3.775 3.904) 6.934 8.494 ( -4.419 -3.157 3.997) 6.743 8.591 ( -0.740 -2.115 -3.407) 4.078 8.606 ( -2.402 -2.184 -1.581) 3.611 9.561 ( -8.844 25.080 2.869) 26.748 10.056 ( -8.545 -19.935 1.687) 21.755 16.771 ( -4.805 5.020 0.678) 6.982 16.793 ( -1.373 2.300 -0.280) 2.693 16.855 ( -0.838 -2.230 -0.470) 2.428 16.894 ( -1.659 -4.399 -0.553) 4.734 17.314 ( 1.606 0.558 0.263) 1.721 17.330 ( 2.369 -1.013 0.162) 2.582 17.540 ( 6.657 3.547 -1.068) 7.619 17.621 ( 5.904 -3.635 -0.613) 6.960 22.357 ( 0.275 0.701 0.509) 0.909 22.375 ( 0.660 -0.974 2.163) 2.462 22.496 ( 0.154 0.074 0.425) 0.458 22.499 ( 0.200 -0.122 0.414) 0.475 27.267 ( 0.122 2.720 0.341) 2.744 27.320 ( -1.123 -0.194 -0.119) 1.146 27.337 ( -0.026 -0.823 -0.519) 0.973 27.364 ( -0.379 -1.627 -1.389) 2.172 36.905 ( -5.295 4.703 0.241) 7.087 37.006 ( -4.284 -4.153 1.271) 6.101 37.292 ( 8.939 4.319 -3.131) 10.410 37.382 ( 10.533 -3.950 -2.797) 11.592 37.757 ( 1.869 3.305 3.653) 5.269 37.834 ( 1.752 -3.561 2.964) 4.953 39.336 ( -5.883 2.101 -19.292) 20.279 39.368 ( -7.049 -1.039 -3.803) 8.077 ======================= Grid point 24 (15/126) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 15.621 13.179 -2.247) 20.561 1.598 ( 10.176 -3.278 -4.564) 11.624 2.152 ( 13.054 4.543 1.449) 13.898 2.438 ( 7.547 -15.937 -2.022) 17.749 2.852 ( 5.653 5.442 1.708) 8.030 2.912 ( 0.522 -0.399 2.007) 2.112 3.108 ( 5.344 13.486 -1.703) 14.606 3.250 ( 3.069 -1.143 3.471) 4.772 3.289 ( 12.189 6.946 -1.358) 14.095 3.551 ( 9.579 -10.588 -4.725) 15.039 3.746 ( -0.935 9.921 -0.820) 9.999 3.917 ( -4.232 -5.209 -4.241) 7.939 3.991 ( -5.446 6.485 -6.140) 10.460 4.128 ( -8.528 -4.092 -2.868) 9.885 4.334 ( 7.682 6.838 -1.045) 10.337 4.512 ( 4.917 -6.194 -3.705) 8.733 4.843 ( 2.823 6.874 -3.004) 8.016 4.991 ( -0.491 -1.996 -4.177) 4.655 5.103 ( -0.810 0.079 0.787) 1.132 5.173 ( 4.193 -4.180 0.728) 5.965 5.362 ( 3.185 9.039 5.381) 10.991 5.422 ( 4.897 7.896 -2.172) 9.542 5.562 ( 0.022 0.535 -2.701) 2.753 5.615 ( 6.295 -10.988 2.394) 12.888 5.694 ( 3.779 -2.634 1.834) 4.958 5.836 ( 9.952 -13.593 -4.580) 17.458 6.217 ( 2.721 5.369 0.565) 6.045 6.252 ( 3.054 0.039 2.822) 4.158 6.429 ( 3.902 -0.971 3.134) 5.098 6.488 ( 3.967 -4.801 3.640) 7.214 6.741 ( 6.459 1.182 -5.382) 8.490 6.811 ( 7.963 -4.652 2.145) 9.468 6.973 ( -1.356 5.591 13.822) 14.972 7.127 ( -3.696 -8.102 13.002) 15.759 7.218 ( -3.717 6.657 -0.102) 7.625 7.371 ( -1.888 -5.152 -4.091) 6.845 7.442 ( -2.480 3.164 -0.502) 4.051 7.533 ( -2.860 -3.100 -0.389) 4.236 7.847 ( -0.581 7.436 -5.594) 9.323 7.872 ( 2.842 4.679 -0.940) 5.555 8.046 ( 4.548 -2.741 -4.078) 6.695 8.112 ( 3.133 -7.400 6.068) 10.070 8.332 ( -4.154 2.574 1.740) 5.188 8.382 ( -7.721 -2.031 4.517) 9.173 8.561 ( 1.862 1.312 -6.175) 6.582 8.614 ( 2.532 -3.293 -4.088) 5.828 9.375 ( -11.470 24.468 5.809) 27.640 9.866 ( -12.514 -19.955 4.867) 24.052 16.685 ( -4.237 4.252 0.983) 6.083 16.748 ( -3.283 -0.357 -0.051) 3.303 16.837 ( -0.719 -1.476 -0.543) 1.729 16.860 ( -1.216 -3.965 -0.348) 4.162 17.361 ( 3.152 1.244 -0.305) 3.402 17.388 ( 3.512 -1.313 -0.564) 3.792 17.675 ( 7.460 3.961 -0.844) 8.488 17.747 ( 7.128 -2.429 -0.664) 7.560 22.367 ( 0.343 0.935 0.804) 1.280 22.391 ( 0.197 -1.322 1.928) 2.346 22.503 ( 0.281 0.171 0.682) 0.757 22.507 ( 0.382 -0.246 1.035) 1.130 27.267 ( -0.471 1.859 0.508) 1.984 27.294 ( -1.326 0.232 -0.784) 1.558 27.330 ( -0.276 -0.173 -1.212) 1.255 27.355 ( -0.060 -1.817 -1.209) 2.183 36.818 ( -3.768 4.348 -0.931) 5.829 36.929 ( -4.218 -5.234 -0.168) 6.724 37.451 ( 7.940 6.004 -2.435) 10.248 37.551 ( 7.565 -3.000 -1.709) 8.316 37.819 ( 2.573 3.875 6.269) 7.806 37.899 ( 3.587 -3.342 4.897) 6.930 39.163 ( -3.120 1.520 -22.922) 23.184 39.199 ( -7.225 -1.728 -8.494) 11.284 ======================= Grid point 25 (16/126) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 19.510 4.314 -0.907) 20.002 1.812 ( 13.446 -4.772 -2.976) 14.575 2.399 ( 12.059 5.345 4.962) 14.093 2.569 ( 6.991 -8.751 0.803) 11.229 2.850 ( -3.238 3.333 -1.992) 5.056 2.910 ( -1.671 -2.140 1.178) 2.959 3.158 ( -0.054 6.374 3.524) 7.284 3.285 ( 0.132 -5.055 3.910) 6.392 3.556 ( 8.351 3.886 -7.652) 11.975 3.589 ( -3.840 0.296 -9.086) 9.868 3.782 ( 5.232 5.140 -1.315) 7.451 3.815 ( -3.873 4.031 -3.763) 6.738 3.873 ( -2.415 3.453 -3.156) 5.264 3.997 ( -2.874 -5.663 -3.131) 7.081 4.450 ( 4.674 0.831 -2.740) 5.481 4.578 ( 2.490 -6.891 -2.045) 7.607 4.884 ( 2.338 4.869 -3.700) 6.547 4.993 ( 1.527 -3.256 -3.791) 5.225 5.124 ( 3.413 3.405 2.546) 5.452 5.277 ( 5.346 -7.446 1.692) 9.321 5.410 ( 1.183 6.596 3.432) 7.529 5.520 ( 4.211 -2.771 -0.412) 5.058 5.642 ( 8.583 5.210 -0.065) 10.041 5.671 ( 2.084 4.163 6.452) 7.956 5.870 ( 13.020 0.961 -6.604) 14.631 6.039 ( 10.701 -11.159 -2.921) 15.735 6.248 ( 0.384 6.969 1.136) 7.071 6.325 ( 4.197 0.307 1.345) 4.418 6.500 ( 2.699 0.164 3.124) 4.132 6.589 ( 5.269 -6.300 2.176) 8.497 6.799 ( 0.849 2.864 -6.310) 6.981 6.909 ( -0.621 -6.360 -3.123) 7.113 7.005 ( 0.170 0.917 10.311) 10.353 7.039 ( -6.502 -0.912 16.777) 18.016 7.196 ( 0.837 2.815 2.167) 3.650 7.320 ( -0.558 -3.634 -2.097) 4.233 7.438 ( 0.900 1.184 -0.473) 1.560 7.514 ( 1.028 -3.934 -2.801) 4.937 7.741 ( -9.336 4.737 -0.422) 10.477 7.819 ( -8.958 -2.255 4.845) 10.431 8.102 ( -0.574 1.519 0.644) 1.747 8.128 ( 4.058 -1.971 -3.522) 5.723 8.309 ( 1.107 1.028 -1.800) 2.350 8.362 ( 3.555 -4.290 -2.580) 6.140 8.620 ( 5.505 1.877 -3.960) 7.037 8.643 ( 1.230 0.195 -1.863) 2.241 9.201 ( -8.600 20.825 6.204) 23.370 9.625 ( -15.303 -16.997 7.492) 24.067 16.626 ( -2.431 2.258 0.962) 3.454 16.684 ( -2.999 -2.473 0.015) 3.887 16.823 ( -0.594 -0.752 -0.424) 1.048 16.848 ( -0.252 -3.098 -0.062) 3.109 17.420 ( 3.075 1.619 -0.567) 3.521 17.449 ( 3.013 -1.078 -0.801) 3.299 17.800 ( 5.856 4.635 -0.495) 7.485 17.869 ( 5.797 -1.534 -0.414) 6.011 22.374 ( 0.137 0.909 0.541) 1.067 22.396 ( -0.130 -1.148 1.101) 1.596 22.511 ( 0.346 0.297 0.741) 0.869 22.519 ( 0.367 -0.366 1.171) 1.281 27.254 ( -0.817 0.914 0.139) 1.234 27.268 ( -1.087 -0.087 -0.824) 1.366 27.325 ( 0.224 0.644 -1.220) 1.397 27.349 ( -0.296 -1.338 -0.746) 1.561 36.756 ( -2.363 2.604 -1.387) 3.780 36.846 ( -4.243 -5.033 -1.010) 6.660 37.544 ( 2.160 6.868 0.356) 7.208 37.641 ( 2.142 -2.087 0.269) 3.003 37.897 ( 3.513 5.357 5.277) 8.300 38.000 ( 5.255 -3.996 3.728) 7.581 39.062 ( -1.232 -0.320 -14.538) 14.593 39.077 ( -0.945 -1.784 -12.213) 12.379 ======================= Grid point 26 (17/126) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 15.775 -1.469 -2.458) 16.032 2.061 ( 12.553 -2.837 2.003) 13.025 2.583 ( 2.046 6.157 3.408) 7.329 2.698 ( 4.522 -4.151 2.535) 6.641 2.813 ( 4.066 2.647 -0.098) 4.853 2.881 ( 0.273 -4.079 0.238) 4.095 3.132 ( -4.137 4.980 2.332) 6.882 3.254 ( -6.734 -5.268 0.549) 8.568 3.440 ( -4.149 3.000 -6.052) 7.928 3.520 ( -4.500 -3.504 -7.033) 9.055 3.723 ( -2.509 9.155 -2.910) 9.929 3.851 ( -0.487 4.608 -1.452) 4.856 3.903 ( 3.496 -4.885 -1.120) 6.110 3.982 ( 0.433 -5.585 -1.479) 5.794 4.512 ( 3.009 0.747 -0.956) 3.244 4.602 ( 1.525 -5.556 -1.274) 5.900 4.910 ( 1.472 5.411 -1.832) 5.900 5.005 ( 0.633 -1.974 -1.960) 2.853 5.225 ( 5.114 6.505 0.811) 8.315 5.384 ( 5.840 -5.850 -0.805) 8.305 5.449 ( 1.536 1.503 2.479) 3.281 5.538 ( -1.774 -5.731 3.870) 7.139 5.733 ( 2.500 7.352 1.703) 7.950 5.842 ( 9.150 0.042 -0.765) 9.182 6.089 ( 11.306 5.807 -7.631) 14.824 6.189 ( 7.572 -2.916 -5.164) 9.618 6.266 ( 2.154 3.849 4.874) 6.574 6.394 ( 1.345 -4.571 2.943) 5.601 6.576 ( 3.393 4.246 3.477) 6.452 6.634 ( -4.307 -0.181 0.456) 4.335 6.735 ( -5.183 -0.067 -0.526) 5.210 6.810 ( -2.484 -4.876 -0.701) 5.517 7.006 ( -0.474 0.143 2.740) 2.785 7.036 ( -2.251 -1.312 4.776) 5.441 7.281 ( 5.338 0.210 3.735) 6.518 7.356 ( 3.843 -4.468 2.897) 6.567 7.453 ( 0.569 2.936 -0.317) 3.008 7.531 ( 1.370 -4.019 -4.548) 6.222 7.548 ( -9.388 4.361 1.064) 10.406 7.652 ( -8.531 -5.176 4.556) 10.969 8.120 ( 3.271 4.931 -3.039) 6.652 8.220 ( 7.224 -4.856 -7.493) 11.485 8.328 ( 0.057 1.673 -1.072) 1.988 8.399 ( 0.827 -4.993 -1.569) 5.298 8.623 ( -2.567 6.941 2.674) 7.869 8.706 ( 3.003 -0.945 -0.523) 3.192 9.123 ( -0.999 11.279 1.609) 11.437 9.363 ( -14.310 -9.695 7.104) 18.688 16.598 ( -1.013 1.147 0.653) 1.664 16.645 ( -1.172 -3.196 -0.048) 3.405 16.812 ( -0.482 -0.364 -0.238) 0.649 16.845 ( -0.131 -3.231 0.022) 3.234 17.466 ( 1.828 1.700 -0.390) 2.527 17.491 ( 1.681 -0.719 -0.537) 1.906 17.885 ( 3.181 5.065 -0.209) 5.984 17.954 ( 3.193 -1.138 -0.167) 3.394 22.376 ( 0.011 0.826 0.231) 0.857 22.396 ( -0.143 -0.966 0.465) 1.082 22.519 ( 0.237 0.354 0.481) 0.643 22.528 ( 0.213 -0.396 0.723) 0.852 27.243 ( -0.302 0.327 -0.084) 0.453 27.249 ( -0.550 -0.177 -0.375) 0.689 27.326 ( 0.171 0.577 -0.681) 0.909 27.339 ( -0.464 -0.576 -0.473) 0.878 36.722 ( -0.703 0.323 -0.966) 1.238 36.770 ( -3.215 -3.754 -0.842) 5.014 37.554 ( -0.598 6.759 1.068) 6.869 37.647 ( -1.077 -1.922 1.354) 2.586 37.977 ( 3.075 6.603 2.211) 7.612 38.102 ( 3.952 -4.705 1.758) 6.391 39.018 ( 0.313 0.116 -5.910) 5.919 39.048 ( 1.037 -2.579 -8.778) 9.208 ======================= Grid point 27 (18/126) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.000 -1.266 0.000) 1.266 2.221 ( 0.000 -3.962 0.000) 3.962 2.552 ( 0.000 7.299 0.000) 7.299 2.723 ( 0.000 -7.550 -0.000) 7.550 2.920 ( 0.000 4.648 -0.000) 4.648 3.013 ( 0.000 -4.081 0.000) 4.081 3.015 ( -0.000 4.310 -0.000) 4.310 3.093 ( 0.000 -1.524 0.000) 1.524 3.427 ( 0.000 -1.772 0.000) 1.772 3.439 ( 0.000 -2.041 -0.000) 2.041 3.694 ( 0.000 11.149 -0.000) 11.149 3.839 ( 0.000 3.736 0.000) 3.736 3.941 ( 0.000 -9.812 0.000) 9.812 3.966 ( 0.000 -5.548 0.000) 5.548 4.544 ( 0.000 1.972 0.000) 1.972 4.620 ( 0.000 -3.555 0.000) 3.555 4.921 ( 0.000 5.814 0.000) 5.814 5.006 ( 0.000 -0.908 0.000) 0.908 5.279 ( 0.000 7.244 0.000) 7.244 5.458 ( 0.000 -8.118 0.000) 8.118 5.471 ( -0.000 -0.883 0.000) 0.883 5.513 ( 0.000 -2.654 -0.000) 2.654 5.760 ( 0.000 7.290 -0.000) 7.290 5.924 ( 0.000 -4.300 -0.000) 4.300 6.170 ( 0.000 10.477 0.000) 10.477 6.314 ( -0.000 4.203 0.000) 4.203 6.318 ( 0.000 -4.141 -0.000) 4.141 6.434 ( 0.000 -6.522 0.000) 6.522 6.534 ( 0.000 0.016 -0.000) 0.016 6.539 ( 0.000 0.064 0.000) 0.064 6.705 ( 0.000 4.802 0.000) 4.802 6.818 ( 0.000 -2.816 0.000) 2.816 6.988 ( 0.000 1.944 0.000) 1.944 7.031 ( 0.000 -2.762 0.000) 2.762 7.350 ( 0.000 -0.606 -0.000) 0.606 7.413 ( 0.000 -0.685 0.000) 0.685 7.457 ( 0.000 3.458 0.000) 3.458 7.482 ( 0.000 -1.671 0.000) 1.671 7.491 ( -0.000 1.329 -0.000) 1.329 7.585 ( 0.000 -7.177 -0.000) 7.177 8.168 ( 0.000 6.551 0.000) 6.551 8.269 ( 0.000 -1.102 0.000) 1.102 8.352 ( 0.000 -3.540 -0.000) 3.540 8.378 ( 0.000 -6.085 0.000) 6.085 8.599 ( 0.000 7.924 -0.000) 7.924 8.726 ( 0.000 -2.806 0.000) 2.806 9.153 ( 0.000 3.139 0.000) 3.139 9.197 ( -0.000 -0.847 0.000) 0.847 16.590 ( 0.000 0.950 0.000) 0.950 16.635 ( 0.000 -3.466 0.000) 3.466 16.806 ( 0.000 -0.245 0.000) 0.245 16.843 ( 0.000 -3.396 0.000) 3.396 17.483 ( 0.000 1.693 0.000) 1.693 17.506 ( 0.000 -0.558 0.000) 0.558 17.915 ( 0.000 5.195 0.000) 5.195 17.984 ( 0.000 -1.028 0.000) 1.028 22.377 ( 0.000 0.790 0.000) 0.790 22.396 ( 0.000 -0.902 0.000) 0.902 22.523 ( 0.000 0.364 -0.000) 0.364 22.531 ( 0.000 -0.395 -0.000) 0.395 27.240 ( 0.000 0.135 0.000) 0.135 27.244 ( 0.000 -0.256 0.000) 0.256 27.326 ( 0.000 0.422 0.000) 0.422 27.333 ( 0.000 -0.147 -0.000) 0.147 36.725 ( 0.000 -1.754 -0.000) 1.754 36.726 ( -0.000 -2.033 0.000) 2.033 37.548 ( 0.000 6.461 0.000) 6.461 37.635 ( 0.000 -1.702 -0.000) 1.702 38.012 ( 0.000 6.985 -0.000) 6.985 38.145 ( 0.000 -4.964 0.000) 4.964 39.014 ( 0.000 0.050 0.000) 0.050 39.042 ( 0.000 -2.465 -0.000) 2.465 ======================= Grid point 55 (19/126) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -9.698 0.000 26.257) 27.991 0.639 ( -9.562 0.000 30.110) 31.592 1.164 ( -8.622 0.000 53.414) 54.105 2.645 ( -2.105 0.000 -0.950) 2.309 2.751 ( -4.211 0.000 -1.864) 4.605 2.873 ( -1.688 0.000 1.301) 2.131 2.961 ( 1.034 0.000 8.021) 8.087 3.145 ( -0.334 0.000 -2.707) 2.728 3.147 ( 0.995 0.000 2.548) 2.736 3.292 ( 2.270 0.000 5.213) 5.686 3.499 ( 5.393 0.000 -2.398) 5.902 3.853 ( -5.465 0.000 -9.828) 11.245 4.142 ( -5.037 0.000 16.148) 16.916 4.227 ( -0.439 0.000 -3.148) 3.178 4.312 ( -6.173 0.000 1.067) 6.265 4.446 ( -1.347 0.000 -2.612) 2.939 4.641 ( -0.599 0.000 6.255) 6.283 4.653 ( 0.065 0.000 -2.044) 2.045 5.017 ( -6.489 0.000 -2.399) 6.918 5.031 ( 25.040 0.000 -2.308) 25.146 5.092 ( -14.236 0.000 -15.089) 20.745 5.307 ( -2.310 0.000 7.469) 7.818 5.392 ( 6.875 0.000 -6.092) 9.186 5.639 ( 2.335 0.000 -1.023) 2.550 5.743 ( 6.620 0.000 -1.057) 6.704 6.088 ( 9.792 0.000 -2.839) 10.195 6.104 ( -3.734 0.000 7.101) 8.023 6.336 ( -3.613 0.000 0.234) 3.621 6.390 ( 2.881 0.000 -2.869) 4.066 6.516 ( 2.601 0.000 2.617) 3.690 6.603 ( -8.414 0.000 12.994) 15.480 6.657 ( 5.885 0.000 -1.367) 6.042 6.957 ( 39.027 0.000 1.608) 39.060 7.078 ( 0.062 0.000 -1.106) 1.108 7.349 ( 2.108 0.000 -11.388) 11.582 7.365 ( 1.323 0.000 -3.834) 4.056 7.437 ( -2.620 0.000 -5.819) 6.382 7.708 ( -2.079 0.000 5.741) 6.106 7.767 ( 6.018 0.000 -13.022) 14.345 7.909 ( -3.706 0.000 4.152) 5.566 8.017 ( 1.729 0.000 1.594) 2.352 8.221 ( 16.300 0.000 1.127) 16.339 8.302 ( -0.264 0.000 -0.765) 0.809 8.391 ( -0.249 0.000 -2.995) 3.005 8.684 ( 1.826 0.000 -2.314) 2.948 8.759 ( 3.101 0.000 -0.791) 3.201 9.070 ( -1.266 0.000 13.126) 13.187 10.797 ( -26.812 0.000 -5.287) 27.328 16.635 ( 1.080 0.000 -0.461) 1.174 16.694 ( 0.246 0.000 -0.354) 0.431 16.924 ( 0.407 0.000 -0.111) 0.422 16.977 ( 0.018 0.000 -0.048) 0.051 17.289 ( 1.689 0.000 -0.538) 1.772 17.296 ( -5.345 0.000 -1.444) 5.537 17.389 ( -1.599 0.000 1.973) 2.539 17.650 ( -0.037 0.000 -2.249) 2.249 22.334 ( 0.249 0.000 0.435) 0.501 22.492 ( -0.182 0.000 -0.701) 0.724 22.503 ( -0.163 0.000 0.930) 0.944 22.672 ( 16.291 0.000 -0.575) 16.301 27.199 ( -0.320 0.000 0.412) 0.522 27.285 ( -0.079 0.000 -0.577) 0.583 27.399 ( -0.754 0.000 0.252) 0.795 27.420 ( 0.483 0.000 -0.064) 0.488 36.866 ( -1.174 0.000 0.378) 1.233 36.887 ( 0.513 0.000 0.363) 0.628 37.122 ( -1.447 0.000 -1.454) 2.051 37.570 ( -2.383 0.000 5.510) 6.003 37.602 ( -22.026 0.000 -3.778) 22.348 37.756 ( -49.479 0.000 2.853) 49.562 37.981 ( 1.043 0.000 5.951) 6.042 39.772 ( -23.426 0.000 -9.147) 25.149 ======================= Grid point 56 (20/126) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 21.526 0.000 12.217) 24.751 1.038 ( 30.477 0.000 15.808) 34.333 1.503 ( 22.572 0.000 39.149) 45.190 2.629 ( -7.299 0.000 0.734) 7.336 2.643 ( 1.731 0.000 1.503) 2.292 2.891 ( 3.980 0.000 -0.077) 3.981 3.040 ( 2.795 0.000 5.191) 5.896 3.173 ( 0.499 0.000 2.822) 2.866 3.190 ( 6.678 0.000 -1.169) 6.779 3.354 ( 2.318 0.000 4.594) 5.146 3.656 ( 8.759 0.000 -3.319) 9.367 3.729 ( -3.885 0.000 -6.975) 7.984 4.096 ( -10.868 0.000 -4.775) 11.871 4.149 ( -0.335 0.000 14.595) 14.599 4.215 ( -4.355 0.000 -2.086) 4.828 4.445 ( 5.168 0.000 -5.994) 7.914 4.663 ( 3.550 0.000 7.865) 8.629 4.719 ( 7.290 0.000 -3.053) 7.903 4.842 ( -7.185 0.000 -7.791) 10.599 4.990 ( 1.946 0.000 -5.824) 6.141 5.254 ( 0.774 0.000 2.002) 2.147 5.450 ( 2.938 0.000 -12.700) 13.035 5.510 ( 15.152 0.000 -2.352) 15.333 5.683 ( 2.035 0.000 2.328) 3.093 5.774 ( -2.889 0.000 -1.339) 3.184 6.080 ( -0.383 0.000 3.963) 3.981 6.252 ( -0.480 0.000 -2.533) 2.578 6.348 ( 7.660 0.000 0.361) 7.669 6.416 ( -4.227 0.000 6.608) 7.844 6.489 ( 7.315 0.000 -2.992) 7.903 6.683 ( 0.966 0.000 1.047) 1.424 6.726 ( 12.491 0.000 7.791) 14.721 7.087 ( 1.787 0.000 -0.957) 2.027 7.279 ( -0.897 0.000 -6.439) 6.501 7.331 ( -5.575 0.000 -4.831) 7.377 7.388 ( 6.305 0.000 -15.184) 16.441 7.454 ( 5.770 0.000 -6.360) 8.587 7.621 ( -5.514 0.000 2.566) 6.082 7.759 ( -5.765 0.000 8.088) 9.932 7.938 ( 8.610 0.000 -14.559) 16.915 8.080 ( 2.692 0.000 2.442) 3.635 8.291 ( -1.075 0.000 -0.175) 1.089 8.326 ( -13.679 0.000 13.933) 19.525 8.396 ( 1.827 0.000 -3.554) 3.996 8.676 ( -2.327 0.000 -0.596) 2.402 8.758 ( -3.274 0.000 1.148) 3.469 9.036 ( -7.153 0.000 14.271) 15.963 10.327 ( -10.195 0.000 -0.589) 10.212 16.657 ( 1.146 0.000 0.376) 1.206 16.688 ( -0.479 0.000 -0.329) 0.581 16.924 ( -0.971 0.000 -1.259) 1.590 16.973 ( -0.432 0.000 -0.199) 0.475 17.322 ( 1.418 0.000 0.805) 1.631 17.323 ( 5.859 0.000 -3.853) 7.012 17.406 ( 2.556 0.000 1.264) 2.851 17.667 ( 2.968 0.000 -2.465) 3.858 22.343 ( 0.424 0.000 0.559) 0.701 22.480 ( -0.700 0.000 -0.930) 1.164 22.504 ( -0.101 0.000 0.792) 0.798 22.731 ( -5.150 0.000 3.557) 6.259 27.201 ( 0.409 0.000 0.243) 0.475 27.273 ( -0.932 0.000 -0.551) 1.082 27.369 ( -2.582 0.000 -0.076) 2.583 27.425 ( -0.045 0.000 0.265) 0.269 36.825 ( -0.685 0.000 -2.208) 2.312 36.921 ( 2.440 0.000 1.443) 2.835 37.104 ( 0.429 0.000 -3.512) 3.538 37.521 ( 32.937 0.000 -19.133) 38.091 37.571 ( 0.366 0.000 5.174) 5.187 37.763 ( 6.732 0.000 3.311) 7.502 38.027 ( 1.511 0.000 7.591) 7.739 39.429 ( -13.511 0.000 -5.647) 14.644 ======================= Grid point 57 (21/126) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 25.960 0.000 -0.556) 25.966 1.602 ( 23.239 0.000 19.040) 30.043 2.112 ( 24.651 0.000 12.473) 27.627 2.525 ( -3.772 0.000 5.236) 6.453 2.763 ( 10.958 0.000 3.670) 11.556 2.985 ( 4.601 0.000 -0.208) 4.606 3.075 ( -0.274 0.000 2.035) 2.054 3.207 ( 3.592 0.000 5.282) 6.388 3.345 ( 7.569 0.000 -0.575) 7.591 3.425 ( 3.740 0.000 5.978) 7.051 3.667 ( -2.876 0.000 -2.662) 3.919 3.707 ( -0.497 0.000 -1.643) 1.717 3.856 ( -11.128 0.000 -6.150) 12.714 4.120 ( -4.082 0.000 -2.050) 4.568 4.262 ( 8.299 0.000 9.836) 12.869 4.576 ( 7.371 0.000 -4.153) 8.460 4.749 ( -1.405 0.000 -0.375) 1.454 4.837 ( 12.721 0.000 0.249) 12.723 4.891 ( 10.957 0.000 -3.927) 11.640 5.046 ( 7.148 0.000 -3.053) 7.773 5.287 ( 1.076 0.000 6.407) 6.497 5.417 ( -1.429 0.000 -9.541) 9.647 5.668 ( -6.031 0.000 -1.374) 6.186 5.700 ( 7.752 0.000 -1.464) 7.889 5.719 ( 0.419 0.000 -1.147) 1.222 6.098 ( 0.586 0.000 -0.594) 0.834 6.176 ( -5.842 0.000 3.623) 6.874 6.292 ( -2.616 0.000 -0.433) 2.651 6.573 ( 2.359 0.000 -4.281) 4.887 6.621 ( 12.636 0.000 -5.101) 13.626 6.774 ( 7.472 0.000 2.944) 8.031 7.036 ( 13.346 0.000 9.082) 16.143 7.148 ( 5.206 0.000 0.744) 5.259 7.149 ( -7.906 0.000 -5.618) 9.699 7.234 ( -4.460 0.000 1.599) 4.738 7.448 ( -1.824 0.000 -4.563) 4.914 7.457 ( 6.350 0.000 -14.206) 15.560 7.560 ( -1.469 0.000 -2.182) 2.630 7.669 ( -4.437 0.000 3.555) 5.685 8.031 ( -17.441 0.000 22.131) 28.177 8.066 ( 7.201 0.000 -7.478) 10.381 8.138 ( -0.213 0.000 3.236) 3.243 8.258 ( -1.047 0.000 -2.556) 2.763 8.420 ( 1.770 0.000 -3.702) 4.103 8.593 ( -6.536 0.000 1.355) 6.675 8.661 ( -6.239 0.000 -0.199) 6.242 8.932 ( -8.441 0.000 14.583) 16.850 10.216 ( -5.236 0.000 -7.221) 8.919 16.672 ( -0.112 0.000 1.258) 1.263 16.690 ( 1.143 0.000 -1.536) 1.914 16.895 ( -1.289 0.000 -1.095) 1.691 16.963 ( -0.277 0.000 -0.575) 0.638 17.346 ( 0.904 0.000 1.453) 1.711 17.396 ( 3.212 0.000 -2.621) 4.146 17.494 ( 5.981 0.000 -0.618) 6.012 17.741 ( 5.371 0.000 -2.202) 5.805 22.352 ( 0.293 0.000 0.419) 0.511 22.460 ( -1.038 0.000 -0.953) 1.409 22.506 ( 0.083 0.000 0.597) 0.603 22.652 ( -4.212 0.000 5.336) 6.798 27.214 ( 0.848 0.000 -0.067) 0.851 27.252 ( -0.906 0.000 -0.238) 0.936 27.318 ( -2.283 0.000 -0.794) 2.417 27.417 ( -0.956 0.000 0.312) 1.006 36.809 ( -0.093 0.000 -3.543) 3.544 36.954 ( -0.888 0.000 3.516) 3.627 37.122 ( 3.742 0.000 -6.316) 7.342 37.616 ( 2.237 0.000 5.114) 5.582 37.844 ( 4.982 0.000 4.634) 6.804 38.103 ( 3.512 0.000 8.841) 9.513 38.125 ( 30.535 0.000 -28.690) 41.899 39.184 ( -9.560 0.000 -7.612) 12.221 ======================= Grid point 58 (22/126) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 20.442 0.000 -8.480) 22.131 2.076 ( 20.050 0.000 17.444) 26.576 2.420 ( 7.714 0.000 7.608) 10.835 2.549 ( 3.058 0.000 11.245) 11.654 2.933 ( 3.321 0.000 -2.771) 4.325 3.052 ( 2.901 0.000 0.738) 2.993 3.056 ( -1.703 0.000 0.527) 1.783 3.389 ( -2.236 0.000 -3.820) 4.427 3.420 ( 5.462 0.000 8.768) 10.330 3.522 ( -0.931 0.000 -3.674) 3.790 3.536 ( 4.629 0.000 7.684) 8.970 3.681 ( -5.216 0.000 -2.930) 5.983 3.768 ( 5.363 0.000 3.754) 6.547 4.081 ( -0.061 0.000 1.988) 1.989 4.507 ( 13.160 0.000 6.658) 14.749 4.658 ( 3.150 0.000 -0.978) 3.298 4.756 ( 1.775 0.000 2.641) 3.182 5.050 ( 5.734 0.000 -6.050) 8.336 5.062 ( 13.178 0.000 -4.968) 14.083 5.240 ( 9.284 0.000 -1.685) 9.435 5.335 ( 2.916 0.000 6.863) 7.457 5.363 ( -3.827 0.000 0.734) 3.896 5.588 ( 3.268 0.000 -8.084) 8.720 5.696 ( -2.213 0.000 -0.714) 2.325 5.853 ( 8.734 0.000 1.530) 8.867 6.084 ( -0.029 0.000 -6.369) 6.369 6.099 ( -2.612 0.000 -0.033) 2.612 6.279 ( 1.251 0.000 -0.661) 1.415 6.582 ( 0.272 0.000 -1.935) 1.954 6.775 ( 4.966 0.000 -6.702) 8.341 6.864 ( -1.279 0.000 3.837) 4.045 6.998 ( -6.242 0.000 -2.149) 6.602 7.167 ( -4.591 0.000 2.532) 5.243 7.189 ( 4.656 0.000 -0.230) 4.661 7.243 ( 0.070 0.000 1.081) 1.083 7.407 ( -1.267 0.000 -1.635) 2.069 7.471 ( -3.300 0.000 2.840) 4.354 7.587 ( 7.742 0.000 -4.930) 9.178 7.727 ( 10.242 0.000 -5.980) 11.860 7.828 ( -9.888 0.000 14.068) 17.196 8.041 ( -8.240 0.000 4.858) 9.565 8.161 ( 2.260 0.000 -0.981) 2.464 8.300 ( 4.616 0.000 -5.218) 6.967 8.443 ( 4.340 0.000 -5.288) 6.841 8.444 ( -9.847 0.000 3.007) 10.296 8.577 ( -0.714 0.000 -4.418) 4.475 8.849 ( -5.097 0.000 11.072) 12.189 10.014 ( -14.599 0.000 -2.329) 14.783 16.659 ( -1.738 0.000 1.645) 2.393 16.717 ( 2.384 0.000 -2.229) 3.264 16.874 ( -0.493 0.000 -0.909) 1.034 16.961 ( 0.217 0.000 -0.779) 0.809 17.370 ( 1.160 0.000 1.271) 1.721 17.440 ( 2.516 0.000 -2.081) 3.265 17.602 ( 5.289 0.000 -0.431) 5.307 17.835 ( 5.003 0.000 -1.814) 5.322 22.356 ( 0.108 0.000 0.188) 0.217 22.437 ( -0.999 0.000 -0.960) 1.386 22.510 ( 0.158 0.000 0.342) 0.377 22.607 ( -2.476 0.000 3.644) 4.406 27.227 ( 0.485 0.000 -0.243) 0.542 27.242 ( -0.084 0.000 0.189) 0.206 27.287 ( -0.399 0.000 -1.092) 1.162 27.390 ( -1.919 0.000 0.087) 1.921 36.801 ( 0.840 0.000 -4.302) 4.384 36.916 ( -3.508 0.000 2.516) 4.317 37.180 ( 3.678 0.000 -4.416) 5.747 37.686 ( 3.397 0.000 3.902) 5.173 37.889 ( -3.061 0.000 7.932) 8.503 38.216 ( 4.489 0.000 9.529) 10.533 38.506 ( 20.129 0.000 -23.326) 30.810 39.052 ( -0.924 0.000 -6.505) 6.570 ======================= Grid point 59 (23/126) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 12.902 0.000 -8.430) 15.411 2.438 ( 10.632 0.000 10.372) 14.853 2.561 ( 4.458 0.000 12.168) 12.959 2.672 ( 3.522 0.000 11.339) 11.873 2.963 ( 2.269 0.000 0.494) 2.322 3.037 ( -0.148 0.000 0.627) 0.645 3.086 ( -0.267 0.000 3.482) 3.492 3.217 ( -11.067 0.000 -3.788) 11.697 3.313 ( -2.623 0.000 -2.594) 3.689 3.536 ( -4.353 0.000 -4.119) 5.992 3.708 ( 4.684 0.000 12.105) 12.980 3.727 ( 7.453 0.000 1.562) 7.615 3.892 ( 4.697 0.000 5.360) 7.127 4.093 ( -0.771 0.000 5.431) 5.486 4.680 ( 1.653 0.000 0.625) 1.767 4.770 ( 8.320 0.000 8.113) 11.621 4.846 ( 6.819 0.000 2.381) 7.223 5.065 ( -1.129 0.000 -2.232) 2.501 5.225 ( -9.019 0.000 -0.332) 9.026 5.232 ( -2.416 0.000 -0.302) 2.435 5.376 ( 16.930 0.000 -6.269) 18.054 5.488 ( 9.156 0.000 2.610) 9.521 5.639 ( -1.083 0.000 -0.887) 1.400 5.809 ( 17.117 0.000 -4.618) 17.729 5.922 ( -2.881 0.000 -2.741) 3.976 6.076 ( 0.857 0.000 -4.323) 4.407 6.150 ( 9.282 0.000 -4.046) 10.125 6.323 ( 3.727 0.000 -2.337) 4.399 6.564 ( -2.091 0.000 -1.132) 2.377 6.738 ( -6.167 0.000 -5.933) 8.558 6.806 ( -3.824 0.000 2.051) 4.339 6.886 ( -6.705 0.000 2.413) 7.126 7.035 ( -8.940 0.000 -0.608) 8.961 7.156 ( -7.068 0.000 -3.854) 8.051 7.264 ( 2.954 0.000 0.443) 2.987 7.400 ( 0.578 0.000 3.164) 3.217 7.415 ( -2.673 0.000 -0.760) 2.779 7.649 ( -3.394 0.000 2.962) 4.505 7.794 ( -4.898 0.000 0.695) 4.947 7.869 ( 8.699 0.000 -0.506) 8.714 7.915 ( -4.585 0.000 6.692) 8.112 8.249 ( -5.827 0.000 9.045) 10.759 8.296 ( 11.283 0.000 -11.866) 16.374 8.377 ( 6.554 0.000 -2.786) 7.122 8.550 ( 6.040 0.000 -5.148) 7.936 8.595 ( 4.734 0.000 -7.189) 8.607 8.808 ( -3.086 0.000 6.672) 7.352 9.662 ( -22.267 0.000 2.926) 22.458 16.628 ( -1.872 0.000 1.479) 2.386 16.759 ( 2.784 0.000 -1.913) 3.378 16.868 ( -0.013 0.000 -0.685) 0.685 16.961 ( 0.027 0.000 -0.999) 0.999 17.393 ( 0.676 0.000 0.670) 0.952 17.476 ( 1.974 0.000 -1.732) 2.626 17.682 ( 3.110 0.000 0.181) 3.115 17.905 ( 2.856 0.000 -1.648) 3.297 22.358 ( 0.023 0.000 0.035) 0.042 22.417 ( -0.727 0.000 -1.141) 1.353 22.513 ( 0.015 0.000 0.054) 0.056 22.579 ( -1.721 0.000 2.043) 2.671 27.232 ( 0.344 0.000 -0.119) 0.364 27.250 ( 0.603 0.000 0.433) 0.742 27.293 ( 1.053 0.000 -0.635) 1.229 27.350 ( -2.052 0.000 -0.253) 2.068 36.814 ( 2.306 0.000 -4.588) 5.134 36.862 ( -2.724 0.000 1.555) 3.136 37.219 ( 1.769 0.000 -1.789) 2.516 37.760 ( 2.834 0.000 2.460) 3.753 37.797 ( -8.153 0.000 5.483) 9.825 38.317 ( 2.068 0.000 9.447) 9.671 38.735 ( 12.248 0.000 -15.977) 20.132 39.101 ( 6.725 0.000 -0.751) 6.767 ======================= Grid point 60 (24/126) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 7.358 0.000 -4.367) 8.556 2.452 ( -13.109 0.000 3.033) 13.455 2.662 ( 2.668 0.000 12.553) 12.833 2.689 ( -6.579 0.000 7.591) 10.046 2.998 ( -2.916 0.000 4.755) 5.578 3.007 ( -0.437 0.000 -1.580) 1.640 3.054 ( 0.882 0.000 2.174) 2.346 3.269 ( 11.982 0.000 6.464) 13.614 3.303 ( 2.171 0.000 -0.741) 2.294 3.453 ( -2.314 0.000 -1.917) 3.005 3.780 ( -1.618 0.000 -0.177) 1.628 3.832 ( 3.196 0.000 12.019) 12.436 3.951 ( -0.295 0.000 4.745) 4.754 4.106 ( 0.312 0.000 8.030) 8.036 4.672 ( -3.046 0.000 0.508) 3.088 4.902 ( 2.103 0.000 9.758) 9.982 4.962 ( -2.216 0.000 -2.622) 3.433 5.021 ( 2.488 0.000 1.917) 3.141 5.118 ( -0.489 0.000 1.869) 1.932 5.138 ( -5.365 0.000 -4.435) 6.961 5.536 ( 2.319 0.000 2.783) 3.623 5.655 ( 3.114 0.000 0.824) 3.222 5.676 ( -1.618 0.000 -3.133) 3.526 5.932 ( 15.780 0.000 -7.658) 17.540 6.002 ( -1.396 0.000 2.878) 3.198 6.165 ( 11.918 0.000 -8.858) 14.849 6.251 ( -1.032 0.000 1.703) 1.991 6.396 ( 5.855 0.000 -8.148) 10.034 6.504 ( -2.328 0.000 -3.556) 4.251 6.551 ( -9.801 0.000 -2.612) 10.144 6.692 ( -13.862 0.000 3.979) 14.422 6.776 ( -1.135 0.000 2.466) 2.715 6.912 ( -1.783 0.000 -8.615) 8.797 7.011 ( -4.770 0.000 -4.164) 6.332 7.306 ( 1.513 0.000 0.019) 1.513 7.351 ( -3.312 0.000 -5.453) 6.380 7.413 ( -3.085 0.000 8.907) 9.426 7.656 ( 6.682 0.000 -3.590) 7.585 7.663 ( -6.187 0.000 -2.381) 6.629 7.889 ( -1.167 0.000 5.721) 5.839 7.937 ( -0.417 0.000 0.785) 0.889 8.104 ( -7.764 0.000 5.878) 9.738 8.480 ( 4.154 0.000 -1.146) 4.309 8.602 ( 1.428 0.000 -2.844) 3.182 8.669 ( 3.842 0.000 -4.773) 6.127 8.718 ( 29.843 0.000 -10.588) 31.666 8.766 ( -3.477 0.000 3.106) 4.662 9.231 ( -23.854 0.000 5.941) 24.583 16.605 ( -0.938 0.000 1.016) 1.383 16.804 ( 2.375 0.000 -0.794) 2.504 16.864 ( -0.158 0.000 -0.537) 0.560 16.954 ( -0.264 0.000 -1.442) 1.466 17.394 ( -0.811 0.000 -0.043) 0.812 17.501 ( 1.147 0.000 -1.182) 1.647 17.716 ( 0.342 0.000 0.712) 0.790 17.928 ( 0.192 0.000 -1.698) 1.708 22.358 ( -0.048 0.000 -0.044) 0.065 22.401 ( -0.444 0.000 -1.488) 1.553 22.511 ( -0.202 0.000 -0.125) 0.237 22.555 ( -1.383 0.000 0.896) 1.648 27.242 ( 0.656 0.000 0.379) 0.757 27.255 ( -0.565 0.000 0.194) 0.598 27.315 ( 1.314 0.000 0.224) 1.333 27.327 ( 0.187 0.000 -0.377) 0.421 36.834 ( -0.594 0.000 0.876) 1.058 36.850 ( 2.899 0.000 -3.896) 4.856 37.243 ( 1.278 0.000 0.118) 1.283 37.665 ( -6.334 0.000 1.546) 6.520 37.798 ( 0.148 0.000 1.854) 1.859 38.345 ( -2.820 0.000 8.721) 9.166 38.867 ( 7.339 0.000 -10.875) 13.120 39.266 ( 9.017 0.000 6.193) 10.938 ======================= Grid point 61 (25/126) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -24.426 0.000 1.978) 24.506 2.255 ( 2.679 0.000 -3.688) 4.558 2.481 ( -16.260 0.000 9.852) 19.011 2.749 ( 0.860 0.000 14.948) 14.973 2.957 ( -1.401 0.000 -5.607) 5.779 3.043 ( 2.299 0.000 6.920) 7.292 3.078 ( 0.935 0.000 2.512) 2.681 3.348 ( 1.435 0.000 -2.778) 3.127 3.441 ( 0.152 0.000 2.724) 2.728 3.527 ( 9.441 0.000 4.643) 10.521 3.684 ( -7.814 0.000 3.622) 8.613 3.918 ( 2.573 0.000 9.945) 10.273 3.920 ( -4.634 0.000 6.622) 8.083 4.168 ( 2.541 0.000 9.285) 9.627 4.559 ( -8.602 0.000 -1.503) 8.732 4.867 ( -3.432 0.000 1.063) 3.593 4.916 ( -4.497 0.000 9.061) 10.115 5.014 ( -5.545 0.000 -6.615) 8.631 5.073 ( 1.957 0.000 -4.295) 4.720 5.198 ( 4.734 0.000 3.386) 5.820 5.492 ( -12.245 0.000 -5.080) 13.257 5.544 ( -2.894 0.000 6.673) 7.274 5.741 ( 4.005 0.000 2.754) 4.860 5.913 ( -6.110 0.000 1.911) 6.402 6.101 ( -13.623 0.000 6.403) 15.053 6.216 ( -5.334 0.000 -0.761) 5.388 6.263 ( 9.257 0.000 -2.893) 9.699 6.376 ( -4.154 0.000 0.278) 4.163 6.432 ( 4.011 0.000 -8.250) 9.173 6.525 ( 7.410 0.000 -13.266) 15.195 6.545 ( -1.081 0.000 -0.027) 1.081 6.756 ( -1.936 0.000 -6.033) 6.336 6.866 ( -0.384 0.000 -7.643) 7.652 6.991 ( 1.978 0.000 -5.579) 5.919 7.269 ( -2.048 0.000 -6.280) 6.605 7.313 ( 0.964 0.000 -6.221) 6.295 7.371 ( -3.602 0.000 9.165) 9.847 7.583 ( -0.532 0.000 -4.365) 4.397 7.847 ( 10.798 0.000 0.891) 10.835 7.884 ( -3.719 0.000 -4.993) 6.226 7.921 ( 3.615 0.000 1.925) 4.096 8.021 ( -2.811 0.000 7.179) 7.710 8.511 ( -2.815 0.000 2.752) 3.937 8.588 ( -0.599 0.000 0.906) 1.086 8.670 ( -3.698 0.000 -1.302) 3.920 8.715 ( -1.012 0.000 -1.259) 1.615 8.800 ( -19.450 0.000 8.109) 21.073 9.302 ( 31.206 0.000 -10.361) 32.882 16.600 ( 0.112 0.000 0.352) 0.369 16.832 ( -0.064 0.000 0.672) 0.675 16.864 ( 0.952 0.000 -0.653) 1.154 16.944 ( -0.062 0.000 -1.812) 1.813 17.364 ( -2.096 0.000 -0.602) 2.181 17.508 ( -0.104 0.000 -0.585) 0.594 17.701 ( -2.156 0.000 1.117) 2.428 17.900 ( -2.356 0.000 -1.925) 3.043 22.355 ( -0.218 0.000 -0.133) 0.255 22.388 ( -0.323 0.000 -1.970) 1.996 22.506 ( -0.287 0.000 -0.039) 0.289 22.534 ( -1.122 0.000 0.227) 1.144 27.239 ( -0.655 0.000 -0.105) 0.664 27.254 ( 0.164 0.000 0.677) 0.697 27.344 ( 1.488 0.000 1.417) 2.054 27.347 ( 1.589 0.000 -0.513) 1.670 36.844 ( 1.347 0.000 0.235) 1.368 36.885 ( 1.710 0.000 -2.116) 2.720 37.269 ( 1.066 0.000 1.233) 1.630 37.587 ( -1.772 0.000 -2.455) 3.028 37.781 ( -2.504 0.000 2.448) 3.502 38.272 ( -7.847 0.000 7.368) 10.764 38.951 ( 5.616 0.000 -7.955) 9.737 39.471 ( 9.183 0.000 12.432) 15.455 ======================= Grid point 62 (26/126) ======================= q-point: (-0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -26.810 0.000 6.385) 27.560 1.994 ( -25.730 0.000 3.198) 25.928 2.445 ( 5.427 0.000 8.230) 9.858 2.788 ( -3.215 0.000 14.095) 14.457 2.892 ( -2.953 0.000 -7.478) 8.040 3.087 ( -3.923 0.000 6.498) 7.591 3.105 ( 0.722 0.000 1.869) 2.004 3.323 ( -2.518 0.000 -2.367) 3.456 3.377 ( -18.275 0.000 4.161) 18.743 3.413 ( -4.705 0.000 0.738) 4.763 3.694 ( -1.332 0.000 7.067) 7.192 3.918 ( 3.795 0.000 9.627) 10.348 4.028 ( 5.072 0.000 9.212) 10.516 4.252 ( 3.128 0.000 8.079) 8.663 4.349 ( -12.352 0.000 -3.143) 12.745 4.794 ( -10.497 0.000 5.440) 11.823 4.873 ( 2.478 0.000 5.794) 6.302 4.892 ( -4.398 0.000 -6.920) 8.199 5.045 ( -3.533 0.000 -6.460) 7.363 5.213 ( -15.808 0.000 -4.412) 16.413 5.278 ( 3.845 0.000 0.634) 3.896 5.478 ( -7.076 0.000 10.647) 12.783 5.772 ( -0.193 0.000 3.393) 3.399 5.889 ( 1.435 0.000 -0.250) 1.457 5.905 ( -6.674 0.000 5.451) 8.617 6.043 ( -10.537 0.000 -3.227) 11.020 6.190 ( -4.415 0.000 -8.265) 9.370 6.320 ( -2.336 0.000 -0.257) 2.350 6.539 ( 0.607 0.000 -3.652) 3.702 6.606 ( -5.792 0.000 -16.079) 17.091 6.615 ( 6.221 0.000 -8.168) 10.267 6.745 ( 10.378 0.000 -0.305) 10.383 6.849 ( 5.269 0.000 -2.654) 5.900 6.905 ( -8.474 0.000 -3.914) 9.334 7.188 ( -5.244 0.000 -1.265) 5.394 7.358 ( -0.848 0.000 6.944) 6.996 7.401 ( 11.218 0.000 -16.750) 20.159 7.583 ( 0.748 0.000 -4.024) 4.093 7.731 ( -8.573 0.000 -0.892) 8.619 7.980 ( -0.396 0.000 10.256) 10.263 8.049 ( 8.863 0.000 -0.982) 8.917 8.112 ( 9.341 0.000 -2.889) 9.777 8.390 ( -8.844 0.000 4.182) 9.783 8.543 ( -9.085 0.000 4.293) 10.048 8.562 ( -5.975 0.000 -0.313) 5.984 8.600 ( -1.104 0.000 -0.037) 1.104 8.722 ( 2.708 0.000 3.179) 4.176 9.846 ( 29.345 0.000 -7.254) 30.228 16.608 ( 0.588 0.000 -0.415) 0.720 16.811 ( -1.970 0.000 0.786) 2.121 16.891 ( 1.569 0.000 -0.040) 1.570 16.943 ( 0.652 0.000 -1.695) 1.816 17.319 ( -2.188 0.000 -0.968) 2.393 17.490 ( -1.726 0.000 -0.198) 1.738 17.650 ( -3.581 0.000 1.322) 3.817 17.831 ( -4.022 0.000 -2.170) 4.570 22.348 ( -0.437 0.000 -0.227) 0.492 22.373 ( -0.468 0.000 -2.331) 2.377 22.502 ( -0.188 0.000 0.314) 0.366 22.516 ( -0.772 0.000 0.004) 0.772 27.237 ( 0.584 0.000 -0.122) 0.597 27.250 ( -0.843 0.000 0.675) 1.080 27.374 ( 1.438 0.000 -0.800) 1.646 27.380 ( 1.477 0.000 2.302) 2.735 36.877 ( 1.824 0.000 -0.233) 1.838 36.896 ( 0.089 0.000 -0.422) 0.431 37.279 ( -0.767 0.000 0.944) 1.217 37.570 ( 1.024 0.000 -4.963) 5.067 37.737 ( -3.198 0.000 5.123) 6.039 38.119 ( -9.978 0.000 5.072) 11.193 39.029 ( 5.657 0.000 -8.150) 9.921 39.707 ( 10.488 0.000 17.533) 20.430 ======================= Grid point 63 (27/126) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -24.777 0.000 16.036) 29.513 1.470 ( -31.364 0.000 9.758) 32.847 2.488 ( -40.615 0.000 15.351) 43.419 2.604 ( 7.647 0.000 6.959) 10.340 2.802 ( -3.093 0.000 -8.819) 9.346 2.927 ( -5.765 0.000 11.483) 12.849 3.093 ( -3.396 0.000 1.132) 3.579 3.204 ( -4.978 0.000 5.991) 7.789 3.256 ( -3.173 0.000 -2.459) 4.014 3.303 ( -5.705 0.000 1.552) 5.912 3.644 ( -5.547 0.000 1.671) 5.793 4.063 ( 5.820 0.000 8.970) 10.693 4.122 ( -8.587 0.000 -0.584) 8.607 4.134 ( 3.426 0.000 3.420) 4.841 4.345 ( 2.834 0.000 8.768) 9.214 4.613 ( -8.964 0.000 1.719) 9.127 4.802 ( -6.433 0.000 -8.250) 10.462 4.867 ( -7.201 0.000 -2.203) 7.531 4.875 ( -13.803 0.000 -0.413) 13.809 5.039 ( 7.185 0.000 6.344) 9.585 5.371 ( 6.851 0.000 -4.218) 8.045 5.397 ( -4.524 0.000 7.202) 8.505 5.743 ( -7.795 0.000 -5.030) 9.277 5.843 ( -8.097 0.000 -3.179) 8.699 5.875 ( -0.727 0.000 0.403) 0.832 5.891 ( 2.449 0.000 -5.542) 6.059 6.092 ( -3.683 0.000 -8.077) 8.876 6.305 ( 1.772 0.000 -1.180) 2.129 6.326 ( -13.228 0.000 -13.020) 18.561 6.553 ( -1.038 0.000 -5.641) 5.735 6.658 ( -3.796 0.000 -3.411) 5.103 6.699 ( -4.765 0.000 1.176) 4.908 6.742 ( -4.255 0.000 5.108) 6.648 7.103 ( -2.279 0.000 -3.605) 4.264 7.156 ( 16.662 0.000 1.508) 16.730 7.390 ( 2.556 0.000 4.059) 4.797 7.494 ( -1.060 0.000 -1.797) 2.086 7.593 ( 7.407 0.000 -19.568) 20.923 7.594 ( -4.973 0.000 -1.381) 5.161 8.005 ( -0.595 0.000 10.624) 10.640 8.109 ( -6.613 0.000 9.125) 11.269 8.169 ( -3.330 0.000 1.163) 3.528 8.327 ( 2.549 0.000 -4.529) 5.197 8.469 ( -2.644 0.000 -0.676) 2.729 8.520 ( 5.242 0.000 -2.561) 5.834 8.567 ( 0.895 0.000 -4.879) 4.960 8.840 ( 6.079 0.000 10.637) 12.252 10.350 ( 26.108 0.000 -2.421) 26.220 16.616 ( 0.491 0.000 -0.964) 1.082 16.769 ( -2.632 0.000 0.402) 2.663 16.917 ( 1.179 0.000 -0.156) 1.189 16.956 ( 1.139 0.000 -1.066) 1.560 17.282 ( -1.109 0.000 -1.298) 1.708 17.444 ( -2.947 0.000 0.053) 2.948 17.582 ( -3.902 0.000 0.469) 3.930 17.745 ( -3.887 0.000 -2.202) 4.467 22.338 ( -0.460 0.000 -0.168) 0.489 22.357 ( -0.377 0.000 -1.227) 1.284 22.501 ( -0.078 0.000 0.711) 0.716 22.505 ( -0.387 0.000 -0.009) 0.387 27.230 ( -1.337 0.000 0.626) 1.476 27.256 ( 1.305 0.000 -0.180) 1.317 27.394 ( 1.052 0.000 -0.830) 1.340 27.410 ( 0.647 0.000 2.089) 2.187 36.889 ( -0.710 0.000 0.314) 0.777 36.900 ( 0.466 0.000 -0.211) 0.511 37.241 ( -3.209 0.000 -0.554) 3.256 37.579 ( 1.664 0.000 -4.932) 5.205 37.694 ( -4.705 0.000 9.036) 10.187 37.975 ( -5.388 0.000 2.268) 5.846 39.082 ( 2.694 0.000 -13.085) 13.359 39.998 ( 13.637 0.000 15.988) 21.014 ======================= Grid point 64 (28/126) ======================= q-point: (-0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -17.161 0.000 28.615) 33.366 0.923 ( -30.599 0.000 17.808) 35.403 1.648 ( -50.917 0.000 31.333) 59.785 2.717 ( -3.508 0.000 -3.921) 5.261 2.746 ( 4.527 0.000 2.725) 5.284 2.899 ( -2.337 0.000 6.533) 6.938 2.996 ( -6.220 0.000 4.247) 7.532 3.146 ( -2.226 0.000 1.956) 2.963 3.188 ( -2.696 0.000 -3.104) 4.111 3.255 ( -0.739 0.000 4.218) 4.282 3.518 ( -5.309 0.000 -2.696) 5.954 3.977 ( -5.255 0.000 -5.403) 7.537 4.197 ( 3.163 0.000 -1.246) 3.399 4.210 ( -0.192 0.000 16.519) 16.520 4.383 ( -2.064 0.000 5.746) 6.105 4.497 ( -4.039 0.000 -1.405) 4.276 4.519 ( -7.335 0.000 1.875) 7.571 4.723 ( -6.061 0.000 -1.780) 6.317 4.849 ( 3.458 0.000 -4.516) 5.688 5.234 ( 9.888 0.000 3.731) 10.568 5.341 ( -3.980 0.000 0.870) 4.074 5.429 ( -10.906 0.000 -16.540) 19.812 5.530 ( -31.168 0.000 -19.752) 36.900 5.538 ( 4.461 0.000 -2.278) 5.009 5.711 ( -3.525 0.000 -4.774) 5.934 5.964 ( 5.623 0.000 -2.574) 6.184 6.113 ( 2.613 0.000 9.922) 10.260 6.237 ( 10.893 0.000 8.546) 13.845 6.361 ( 2.772 0.000 0.229) 2.782 6.438 ( -5.961 0.000 -4.850) 7.685 6.514 ( -5.634 0.000 -2.768) 6.277 6.693 ( 1.660 0.000 3.267) 3.664 6.716 ( -6.228 0.000 14.522) 15.801 7.078 ( 0.687 0.000 -4.041) 4.099 7.339 ( 3.480 0.000 -1.932) 3.980 7.406 ( -4.678 0.000 -3.667) 5.944 7.483 ( 0.740 0.000 -3.013) 3.103 7.589 ( 8.011 0.000 5.285) 9.597 7.684 ( 8.979 0.000 -21.654) 23.441 7.994 ( -7.709 0.000 10.599) 13.106 8.044 ( 0.965 0.000 7.988) 8.046 8.071 ( -5.183 0.000 2.477) 5.745 8.318 ( -1.010 0.000 -2.155) 2.380 8.425 ( -2.186 0.000 -1.865) 2.874 8.624 ( 5.513 0.000 -3.425) 6.490 8.657 ( 8.131 0.000 -5.107) 9.602 8.990 ( 4.424 0.000 12.710) 13.458 10.797 ( 20.239 0.000 -1.900) 20.328 16.622 ( 0.609 0.000 -0.963) 1.139 16.718 ( -2.496 0.000 -0.561) 2.558 16.929 ( 0.081 0.000 -0.523) 0.529 16.972 ( 0.698 0.000 -0.369) 0.790 17.271 ( 0.474 0.000 -1.362) 1.443 17.388 ( -2.841 0.000 -0.094) 2.842 17.493 ( -5.952 0.000 -2.738) 6.552 17.679 ( -2.181 0.000 -2.106) 3.031 22.332 ( -0.160 0.000 0.111) 0.195 22.388 ( 5.367 0.000 4.987) 7.326 22.500 ( -0.119 0.000 -0.015) 0.120 22.503 ( -0.099 0.000 0.931) 0.936 27.209 ( -1.008 0.000 0.565) 1.156 27.278 ( 0.961 0.000 -0.380) 1.034 27.409 ( 0.759 0.000 -0.519) 0.920 27.414 ( -0.741 0.000 0.890) 1.158 36.876 ( -0.720 0.000 0.572) 0.920 36.893 ( -0.848 0.000 0.124) 0.857 37.172 ( -3.280 0.000 -1.181) 3.486 37.600 ( 2.277 0.000 -3.337) 4.040 37.621 ( -5.419 0.000 7.813) 9.508 37.947 ( 0.355 0.000 3.565) 3.583 38.918 ( -20.004 0.000 -28.402) 34.739 40.205 ( -1.268 0.000 -12.647) 12.710 ======================= Grid point 65 (29/126) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -9.581 19.051 19.344) 28.791 1.093 ( -5.912 27.766 20.435) 34.978 1.611 ( -5.846 31.896 32.526) 45.929 2.379 ( -2.919 -13.564 6.245) 15.215 2.700 ( -2.037 -13.219 2.892) 13.684 2.817 ( -1.210 3.833 -1.270) 4.216 3.047 ( -0.239 -2.394 0.332) 2.429 3.134 ( -0.773 5.308 6.085) 8.112 3.190 ( 1.511 1.587 -0.590) 2.269 3.415 ( 7.368 8.809 -1.533) 11.586 3.568 ( -2.012 3.649 2.095) 4.664 3.801 ( -6.084 -1.626 -8.458) 10.545 4.098 ( -2.102 -2.897 7.920) 8.692 4.248 ( -1.491 -3.103 -1.461) 3.740 4.363 ( -4.608 3.329 -0.927) 5.760 4.560 ( 3.289 2.265 4.816) 6.256 4.697 ( -17.427 9.012 -7.990) 21.184 4.794 ( 3.097 7.887 -6.460) 10.655 5.002 ( 16.072 -1.239 -3.936) 16.593 5.057 ( -2.981 2.026 -6.531) 7.460 5.137 ( -9.915 5.566 -5.750) 12.742 5.232 ( 0.909 -5.375 -0.379) 5.465 5.437 ( 4.715 2.063 0.103) 5.148 5.619 ( 3.528 -2.938 0.071) 4.592 5.840 ( 3.598 4.503 -5.386) 7.889 6.028 ( 6.069 -5.996 -4.288) 9.548 6.107 ( -1.473 -0.937 2.803) 3.302 6.186 ( -3.650 -12.472 -1.035) 13.036 6.317 ( 1.113 -3.085 4.415) 5.500 6.438 ( 9.241 -4.874 0.744) 10.474 6.568 ( -4.114 -0.726 6.898) 8.064 6.657 ( 4.683 -2.230 0.405) 5.203 6.962 ( 8.039 0.975 8.499) 11.739 7.192 ( 8.804 5.944 -3.487) 11.180 7.307 ( 5.862 -4.337 -11.323) 13.468 7.398 ( -0.752 3.645 -4.669) 5.971 7.459 ( -3.160 3.008 -6.037) 7.449 7.592 ( 5.803 -11.070 -3.032) 12.861 7.701 ( -6.981 -1.867 6.293) 9.583 7.830 ( 4.219 -1.143 -1.952) 4.787 8.025 ( -4.324 2.840 6.666) 8.438 8.101 ( -1.833 -3.246 7.975) 8.803 8.357 ( 1.193 1.871 0.857) 2.379 8.538 ( 2.329 -4.155 -5.785) 7.494 8.657 ( 4.191 2.986 -2.881) 5.898 8.862 ( -1.345 2.706 11.237) 11.636 9.114 ( 0.942 13.296 2.275) 13.523 10.506 ( -8.643 -17.730 -0.574) 19.732 16.709 ( 2.037 4.267 -2.707) 5.448 16.733 ( -0.445 2.941 -0.930) 3.116 16.906 ( -0.195 -1.555 -0.111) 1.571 16.966 ( -1.046 -1.522 0.072) 1.848 17.280 ( 0.073 0.086 -1.100) 1.106 17.310 ( 0.051 0.105 -0.991) 0.997 17.405 ( -1.943 1.711 1.025) 2.785 17.618 ( -0.039 -2.741 -2.033) 3.413 22.341 ( 0.295 0.628 0.362) 0.783 22.462 ( 1.867 -3.578 1.497) 4.305 22.504 ( 0.038 0.041 0.754) 0.756 22.534 ( 4.460 -3.580 4.552) 7.309 27.216 ( -0.104 1.655 0.389) 1.704 27.301 ( -0.238 1.174 -0.488) 1.294 27.379 ( -0.829 -1.425 -0.086) 1.651 27.402 ( -0.176 -1.530 -0.027) 1.541 36.894 ( 0.498 2.828 -0.097) 2.873 37.040 ( 4.389 2.511 -3.576) 6.193 37.161 ( 0.563 2.948 -1.311) 3.275 37.364 ( -11.313 -5.123 4.731) 13.289 37.683 ( 4.170 2.282 0.920) 4.842 37.925 ( 0.418 -2.657 3.375) 4.316 38.569 ( -26.934 37.340 -30.588) 55.275 39.644 ( -15.098 -9.465 -5.627) 18.687 ======================= Grid point 66 (30/126) ======================= q-point: ( 0.10 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 12.051 13.142 13.368) 22.285 1.288 ( 15.748 17.782 19.807) 30.928 1.898 ( 21.465 21.287 19.548) 36.000 2.373 ( -0.153 -6.502 7.999) 10.309 2.709 ( 1.343 -9.050 1.148) 9.220 2.814 ( 2.136 1.572 0.271) 2.666 3.019 ( -1.954 -2.010 1.068) 3.000 3.184 ( 2.923 3.355 6.289) 7.704 3.254 ( 5.205 2.183 0.962) 5.725 3.502 ( 1.140 11.750 1.308) 11.878 3.629 ( 2.874 -6.611 -1.133) 7.297 3.714 ( 3.267 3.039 -8.099) 9.247 4.050 ( -6.854 -2.716 -2.037) 7.648 4.214 ( -0.688 2.021 7.849) 8.134 4.312 ( -5.007 6.193 -3.814) 8.830 4.391 ( -4.417 -2.394 -3.438) 6.087 4.649 ( 5.028 2.039 3.015) 6.207 4.837 ( 4.137 6.162 -3.679) 8.283 4.906 ( -3.185 4.958 -5.676) 8.182 5.078 ( 1.571 8.101 -3.471) 8.952 5.222 ( 4.879 -2.321 -2.263) 5.858 5.382 ( 11.366 -6.019 -1.378) 12.935 5.481 ( 0.499 -0.238 -4.116) 4.153 5.705 ( 3.073 -3.877 2.392) 5.494 5.796 ( -1.382 -0.095 -8.373) 8.486 6.043 ( -1.148 -7.792 1.130) 7.957 6.116 ( -1.677 -3.657 2.095) 4.536 6.233 ( 4.469 -7.647 -1.802) 9.039 6.388 ( 6.033 -0.276 4.345) 7.440 6.539 ( 0.872 1.388 1.974) 2.566 6.610 ( 6.602 -4.471 1.193) 8.062 6.761 ( 9.305 -0.423 2.279) 9.589 7.069 ( 3.427 -2.107 1.495) 4.291 7.234 ( -2.443 -5.320 -4.964) 7.675 7.309 ( -4.941 -0.187 -6.595) 8.242 7.411 ( 3.642 5.047 -6.911) 9.300 7.486 ( 5.454 3.810 -6.510) 9.308 7.584 ( -3.936 -4.573 2.629) 6.582 7.729 ( 5.983 -8.240 -0.994) 10.232 7.885 ( -1.769 4.098 6.791) 8.127 8.023 ( 6.727 -1.024 -8.345) 10.767 8.052 ( -8.293 -9.585 15.394) 19.940 8.354 ( -2.179 1.090 1.296) 2.760 8.559 ( 1.893 -2.811 -4.673) 5.772 8.680 ( -1.977 0.407 0.310) 2.042 8.824 ( -7.904 0.755 15.053) 17.019 9.066 ( -6.104 15.671 2.929) 17.071 10.301 ( -8.125 -5.922 -4.217) 10.903 16.685 ( -2.267 2.981 0.224) 3.752 16.725 ( -0.107 2.487 -0.880) 2.640 16.895 ( -1.171 -2.218 -0.778) 2.625 16.950 ( -0.651 -2.182 -0.558) 2.344 17.307 ( 2.254 0.084 -0.558) 2.323 17.348 ( 2.983 -0.017 -0.890) 3.113 17.433 ( 4.608 2.734 -0.306) 5.367 17.648 ( 3.999 -1.918 -2.612) 5.148 22.350 ( 0.427 0.709 0.576) 1.008 22.464 ( -0.648 -1.601 -0.378) 1.768 22.507 ( 0.031 0.258 0.798) 0.840 22.611 ( 0.248 -6.383 5.668) 8.540 27.221 ( 0.430 1.828 0.285) 1.900 27.284 ( -1.146 0.888 -0.714) 1.617 27.350 ( -2.004 -1.166 -0.481) 2.368 27.403 ( -0.030 -1.961 0.248) 1.977 36.820 ( -5.528 2.795 0.150) 6.197 37.089 ( 0.346 -1.482 -3.085) 3.440 37.146 ( -0.649 6.538 1.502) 6.739 37.417 ( 13.672 -3.694 -2.785) 14.433 37.786 ( 5.026 2.501 4.594) 7.254 37.974 ( 5.424 1.541 0.994) 5.725 38.195 ( -1.559 34.272 -23.309) 41.476 39.366 ( -12.487 -5.685 -7.250) 15.518 ======================= Grid point 67 (31/126) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 22.351 2.382 5.315) 23.098 1.689 ( 17.734 6.800 19.760) 27.408 2.319 ( 12.816 -4.619 -0.283) 13.626 2.471 ( 7.185 11.607 10.071) 16.963 2.787 ( 6.861 3.298 3.379) 8.329 2.893 ( 6.071 -4.876 1.650) 7.960 3.013 ( 1.342 -3.390 2.751) 4.567 3.254 ( 3.414 2.784 3.992) 5.945 3.373 ( 5.310 0.510 2.628) 5.947 3.532 ( 1.421 7.373 1.700) 7.699 3.643 ( 1.915 -1.615 -0.434) 2.542 3.727 ( -3.012 2.525 -4.287) 5.816 3.867 ( -8.889 0.665 -4.781) 10.115 4.135 ( -7.139 1.025 -0.911) 7.269 4.315 ( 7.228 3.110 8.296) 11.434 4.480 ( 7.519 -4.104 -4.419) 9.639 4.753 ( 4.074 0.135 1.296) 4.277 4.887 ( 4.054 4.072 -2.921) 6.446 4.999 ( 13.548 5.775 -2.126) 14.880 5.137 ( 5.969 8.845 -1.966) 10.850 5.312 ( 3.480 2.100 4.051) 5.739 5.441 ( -2.134 -1.837 -3.597) 4.568 5.496 ( 1.625 -6.688 -5.336) 8.708 5.619 ( -3.656 -5.511 -3.599) 7.529 5.899 ( 8.209 4.163 -5.145) 10.545 6.039 ( -6.505 -5.816 6.940) 11.149 6.067 ( 2.698 -3.378 0.980) 4.433 6.276 ( 1.212 -0.999 -0.460) 1.637 6.528 ( 4.718 -3.011 -1.394) 5.768 6.613 ( 8.160 -1.323 -4.128) 9.240 6.705 ( 4.790 -5.169 2.020) 7.331 6.998 ( 9.650 -7.732 0.994) 12.405 7.135 ( -4.170 -5.378 -2.776) 7.349 7.152 ( 4.392 1.542 3.392) 5.760 7.204 ( -3.008 2.597 -4.286) 5.845 7.418 ( -0.862 -2.992 -7.010) 7.670 7.453 ( -2.807 8.427 -0.283) 8.886 7.639 ( 5.639 4.237 -5.172) 8.746 7.749 ( -3.100 -4.997 5.529) 8.072 7.831 ( -8.645 -6.608 12.659) 16.694 7.945 ( -1.441 -0.593 2.327) 2.801 8.191 ( 11.469 2.200 -10.363) 15.613 8.303 ( -3.392 2.332 1.131) 4.269 8.550 ( -5.893 -0.398 1.952) 6.221 8.592 ( -4.249 -3.770 -0.436) 5.697 8.717 ( -6.450 -3.351 11.232) 13.379 8.935 ( -8.416 17.075 4.172) 19.488 10.161 ( -6.910 -6.512 -5.274) 10.861 16.655 ( -1.189 0.463 1.196) 1.749 16.720 ( -0.380 1.417 -0.698) 1.625 16.867 ( -1.236 -2.156 -0.926) 2.652 16.932 ( -0.753 -2.974 -0.899) 3.197 17.344 ( 1.884 0.305 0.494) 1.972 17.397 ( 2.726 -0.382 -0.973) 2.920 17.547 ( 6.910 4.137 -1.521) 8.196 17.739 ( 6.170 -0.474 -2.522) 6.683 22.359 ( 0.239 0.665 0.408) 0.816 22.447 ( -0.934 -1.183 -0.583) 1.616 22.511 ( 0.127 0.448 0.717) 0.855 22.608 ( -1.791 -3.086 4.703) 5.903 27.232 ( 0.547 1.576 -0.086) 1.671 27.260 ( -1.029 0.642 -0.326) 1.256 27.309 ( -1.772 -0.657 -1.056) 2.164 27.397 ( -0.727 -1.725 0.300) 1.896 36.749 ( -2.054 -0.153 -0.690) 2.172 37.020 ( -4.882 -1.543 0.140) 5.122 37.227 ( 6.409 8.690 -3.159) 11.250 37.604 ( 5.604 -1.877 2.287) 6.337 37.888 ( 3.712 3.672 6.328) 8.204 38.088 ( 2.963 -1.116 8.857) 9.406 38.289 ( 18.968 14.463 -28.788) 37.386 39.126 ( -9.062 -5.308 -9.118) 13.908 ======================= Grid point 68 (32/126) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 20.863 -0.416 -0.912) 20.887 2.080 ( 16.158 -1.108 19.247) 25.154 2.470 ( 5.015 1.122 0.402) 5.155 2.620 ( 6.695 5.748 10.502) 13.717 2.840 ( 0.455 -4.148 0.752) 4.240 2.995 ( 0.516 -3.876 -0.027) 3.910 3.086 ( 2.886 2.188 0.725) 3.694 3.400 ( 3.664 -1.073 1.791) 4.217 3.436 ( 2.463 1.658 -3.314) 4.450 3.484 ( -6.676 0.411 2.095) 7.009 3.652 ( -4.442 -0.419 -0.713) 4.518 3.677 ( 4.228 6.671 2.241) 8.210 3.804 ( 4.840 3.063 3.930) 6.947 4.061 ( -1.088 -1.800 1.250) 2.447 4.505 ( 7.891 -3.327 5.080) 9.957 4.575 ( 5.063 -0.189 -0.880) 5.142 4.823 ( 3.372 2.854 3.015) 5.349 4.972 ( 4.721 -0.859 -2.601) 5.458 5.248 ( 3.557 -1.828 0.157) 4.002 5.296 ( 10.319 5.868 -2.655) 12.164 5.327 ( 3.038 6.587 -1.709) 7.453 5.371 ( -0.475 -1.955 -0.559) 2.088 5.561 ( 10.821 3.166 -5.472) 12.532 5.626 ( 2.305 -3.704 -0.491) 4.390 5.951 ( -3.578 -0.485 5.152) 6.291 6.029 ( 6.182 1.861 -3.391) 7.292 6.109 ( 2.056 0.329 -3.469) 4.046 6.302 ( 2.197 2.444 0.299) 3.300 6.562 ( 0.737 -1.889 -1.765) 2.688 6.700 ( 0.514 -3.821 -4.698) 6.077 6.827 ( 5.889 -7.028 1.283) 9.258 7.011 ( -4.588 0.333 -1.576) 4.862 7.046 ( -3.887 -9.613 -4.477) 11.294 7.192 ( 1.533 0.445 -0.898) 1.831 7.297 ( 4.127 1.879 4.998) 6.749 7.386 ( 0.856 -1.448 -3.396) 3.790 7.406 ( -0.753 2.015 -0.576) 2.227 7.589 ( -7.853 -5.393 6.999) 11.821 7.698 ( -3.083 1.279 3.046) 4.519 7.868 ( 7.039 0.431 0.681) 7.085 7.975 ( 3.764 -2.458 -4.619) 6.446 8.158 ( -8.493 5.539 4.111) 10.942 8.366 ( -10.357 -1.663 5.172) 11.695 8.411 ( 11.295 2.693 -9.948) 15.291 8.546 ( -1.955 -2.305 0.037) 3.023 8.688 ( -0.428 -6.315 3.422) 7.195 8.805 ( -6.037 17.505 2.993) 18.757 9.957 ( -13.944 -6.162 -1.262) 15.297 16.642 ( -1.100 -0.797 1.572) 2.078 16.707 ( -0.275 -0.740 -0.966) 1.247 16.846 ( -0.631 -2.121 -0.920) 2.397 16.922 ( -0.064 -3.421 -0.844) 3.524 17.384 ( 2.123 1.188 0.452) 2.475 17.443 ( 2.541 -0.002 -1.198) 2.809 17.663 ( 5.704 4.899 -1.124) 7.603 17.845 ( 5.575 0.505 -2.126) 5.988 22.362 ( 0.046 0.543 0.137) 0.562 22.427 ( -0.857 -0.857 -0.743) 1.422 22.516 ( 0.111 0.505 0.488) 0.711 22.589 ( -1.634 -1.437 3.155) 3.833 27.236 ( 0.030 0.694 -0.489) 0.849 27.247 ( -0.357 0.423 0.311) 0.635 27.288 ( 0.105 0.159 -1.128) 1.144 27.376 ( -1.551 -1.227 0.060) 1.978 36.728 ( 0.082 -2.354 -1.306) 2.693 36.925 ( -4.999 -2.142 -0.074) 5.439 37.318 ( 3.928 10.144 -2.908) 11.260 37.681 ( 2.349 -0.301 2.906) 3.749 37.941 ( -1.553 4.038 7.388) 8.561 38.181 ( 3.906 -2.689 7.230) 8.647 38.554 ( 16.815 4.374 -19.845) 26.376 39.002 ( -0.179 -4.510 -7.428) 8.692 ======================= Grid point 69 (33/126) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 14.666 1.680 -2.743) 15.015 2.399 ( 9.424 -6.300 14.492) 18.399 2.523 ( 0.216 2.428 4.431) 5.058 2.781 ( 3.514 5.848 10.235) 12.301 2.918 ( 8.525 -2.216 5.222) 10.240 2.967 ( -2.130 -5.586 -1.404) 6.141 3.109 ( -0.265 1.068 2.055) 2.331 3.197 ( -12.999 -0.049 -3.508) 13.464 3.416 ( -1.588 5.973 -1.238) 6.303 3.479 ( -3.313 -3.315 -3.299) 5.731 3.625 ( 3.217 -2.911 5.741) 7.196 3.793 ( 3.711 1.485 3.885) 5.574 3.947 ( 5.318 3.896 4.919) 8.226 4.075 ( 1.280 -2.548 3.562) 4.563 4.586 ( 2.442 -6.678 0.323) 7.118 4.703 ( 4.495 -2.342 6.199) 8.008 4.894 ( 1.940 1.511 3.289) 4.107 5.017 ( 0.158 -1.623 0.162) 1.638 5.179 ( -2.650 -1.441 0.201) 3.023 5.343 ( 1.662 4.264 -2.586) 5.256 5.432 ( 3.974 1.482 -3.594) 5.560 5.562 ( 12.239 10.159 -0.481) 15.913 5.667 ( 2.345 -0.504 0.128) 2.402 5.819 ( 16.449 1.598 -3.703) 16.936 5.938 ( 0.845 -4.510 1.897) 4.965 6.030 ( -2.465 6.301 -4.832) 8.314 6.221 ( 9.656 1.651 -4.839) 10.926 6.361 ( 3.880 4.045 -1.467) 5.794 6.555 ( -1.082 -1.215 -1.788) 2.417 6.621 ( -5.602 -4.434 -4.015) 8.195 6.859 ( -5.387 -2.939 0.016) 6.137 6.896 ( -7.879 -1.854 3.408) 8.783 6.942 ( -2.631 -1.622 -5.420) 6.239 7.195 ( -1.420 -4.212 -0.686) 4.498 7.265 ( -3.416 5.398 -2.845) 6.993 7.399 ( 1.892 3.426 -1.129) 4.073 7.460 ( -0.990 -7.126 1.244) 7.301 7.500 ( -2.250 0.917 6.923) 7.337 7.703 ( -0.691 -6.392 1.995) 6.731 7.900 ( -4.102 -2.532 6.060) 7.744 7.995 ( -1.679 4.838 0.325) 5.132 8.127 ( 9.792 -6.281 -7.007) 13.581 8.288 ( -0.253 1.137 1.474) 1.878 8.478 ( -0.969 4.167 -0.128) 4.280 8.579 ( 4.277 1.870 -2.925) 5.509 8.699 ( 0.806 -7.213 3.275) 7.963 8.773 ( 3.860 13.959 -6.527) 15.886 9.633 ( -20.192 -3.745 2.632) 20.705 16.619 ( -1.727 -0.537 1.511) 2.356 16.714 ( 1.266 -3.348 -0.795) 3.667 16.835 ( -0.207 -2.325 -0.860) 2.488 16.919 ( -0.011 -3.516 -0.936) 3.638 17.421 ( 1.441 2.005 0.241) 2.481 17.482 ( 1.924 0.329 -1.059) 2.220 17.746 ( 3.304 5.219 -0.619) 6.208 17.922 ( 3.244 1.139 -1.932) 3.944 22.362 ( -0.021 0.426 -0.044) 0.429 22.410 ( -0.620 -0.598 -0.974) 1.300 22.518 ( -0.075 0.433 0.161) 0.468 22.570 ( -1.384 -0.772 1.779) 2.382 27.235 ( 0.149 0.235 -0.089) 0.292 27.250 ( 0.389 -0.006 0.365) 0.533 27.298 ( 1.038 0.444 -0.654) 1.305 27.344 ( -1.569 -0.522 -0.298) 1.680 36.743 ( 2.052 -3.493 -1.511) 4.324 36.842 ( -3.611 -2.633 0.164) 4.472 37.353 ( 0.966 9.770 -1.804) 9.982 37.708 ( -1.245 -1.679 2.367) 3.158 37.901 ( -3.289 5.968 4.078) 7.941 38.268 ( 2.205 -4.192 6.179) 7.785 38.761 ( 11.298 2.392 -12.235) 16.824 39.059 ( 6.962 -3.691 -1.165) 7.965 ======================= Grid point 70 (34/126) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 4.913 2.586 -1.405) 5.727 2.467 ( -9.199 2.137 3.725) 10.153 2.514 ( -1.780 -7.570 11.310) 13.725 2.827 ( -1.870 6.609 7.846) 10.428 2.906 ( -3.976 -6.981 -0.585) 8.056 2.959 ( -3.937 -2.144 0.082) 4.484 3.079 ( -1.593 0.391 1.434) 2.178 3.227 ( 12.205 -2.934 6.086) 13.950 3.419 ( -0.157 -0.773 0.600) 0.991 3.424 ( 2.733 8.103 1.111) 8.623 3.719 ( 3.083 -3.683 5.463) 7.274 3.847 ( 1.059 -0.462 6.339) 6.443 3.992 ( -1.829 3.243 2.217) 4.333 4.129 ( 2.330 -0.884 6.391) 6.860 4.620 ( 0.269 -6.284 0.319) 6.298 4.758 ( -0.362 -4.522 5.860) 7.410 4.909 ( -0.732 -3.155 2.699) 4.216 5.016 ( 0.665 1.379 2.341) 2.797 5.171 ( -0.686 4.395 1.846) 4.816 5.331 ( -1.579 10.013 -4.687) 11.168 5.470 ( 1.849 -3.157 -2.839) 4.632 5.671 ( -2.428 -1.389 0.374) 2.822 5.734 ( 3.319 3.539 3.849) 6.193 5.892 ( -4.672 -1.949 -1.808) 5.375 6.034 ( 5.929 2.302 -2.150) 6.714 6.135 ( 13.687 -0.174 -7.093) 15.417 6.357 ( 3.900 4.295 -3.578) 6.816 6.380 ( -0.239 -0.670 -5.405) 5.451 6.516 ( 0.690 1.336 -2.036) 2.531 6.557 ( 0.333 2.628 -3.947) 4.753 6.626 ( -14.621 -5.318 1.803) 15.662 6.796 ( -4.989 0.921 0.362) 5.086 6.893 ( -1.428 1.157 -5.253) 5.565 7.121 ( -4.619 0.593 -4.154) 6.240 7.232 ( -0.202 -0.020 0.986) 1.007 7.371 ( -2.731 0.403 -4.574) 5.342 7.445 ( 0.464 -2.510 0.169) 2.558 7.528 ( -1.362 2.391 5.226) 5.906 7.656 ( -0.018 -4.432 1.745) 4.763 7.843 ( -2.944 -5.286 7.336) 9.509 7.971 ( -0.502 2.733 -3.339) 4.344 8.245 ( -3.497 6.566 3.868) 8.385 8.386 ( 12.112 -6.337 -4.819) 14.494 8.504 ( 3.932 -1.265 -2.527) 4.842 8.586 ( -2.457 -5.991 2.838) 7.070 8.735 ( 0.880 -0.195 -0.956) 1.314 8.905 ( 14.011 8.564 -8.939) 18.696 9.254 ( -19.701 0.391 3.514) 20.015 16.596 ( -1.009 -0.525 0.935) 1.472 16.739 ( 1.200 -4.947 0.060) 5.091 16.832 ( 0.240 -2.221 -0.795) 2.371 16.913 ( -0.156 -3.379 -1.251) 3.606 17.434 ( -0.112 2.765 0.061) 2.768 17.506 ( 0.890 0.337 -0.611) 1.131 17.779 ( 0.352 5.193 -0.267) 5.211 17.949 ( 0.343 1.456 -1.933) 2.444 22.361 ( -0.065 0.341 -0.144) 0.376 22.397 ( -0.385 -0.413 -1.293) 1.411 22.514 ( -0.290 0.308 -0.083) 0.431 22.550 ( -1.222 -0.469 0.763) 1.514 27.243 ( 0.519 0.049 0.419) 0.669 27.252 ( -0.349 -0.171 0.248) 0.461 27.317 ( 0.926 0.188 -0.047) 0.946 27.330 ( 0.521 0.120 -0.273) 0.600 36.784 ( 0.973 -3.794 -2.015) 4.405 36.804 ( 1.199 -2.822 1.600) 3.459 37.356 ( 0.212 8.389 -1.226) 8.481 37.656 ( -3.612 -0.333 1.019) 3.768 37.871 ( -1.671 5.559 1.155) 5.918 38.291 ( -2.280 -4.725 5.454) 7.568 38.896 ( 6.974 2.639 -7.194) 10.362 39.219 ( 8.479 -4.079 5.623) 10.961 ======================= Grid point 71 (35/126) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -19.706 0.734 4.131) 20.147 2.333 ( -0.552 4.497 1.004) 4.640 2.396 ( -15.505 -3.929 9.136) 18.420 2.811 ( -1.882 1.994 8.970) 9.379 2.877 ( 0.612 -6.787 -0.613) 6.842 2.921 ( -1.187 -5.571 0.756) 5.746 3.059 ( -0.569 -0.858 0.115) 1.036 3.356 ( 1.202 -4.077 -0.379) 4.267 3.487 ( 3.500 8.162 2.309) 9.176 3.582 ( 10.406 3.552 9.735) 14.686 3.754 ( -0.914 2.755 2.635) 3.920 3.898 ( -8.256 1.605 3.509) 9.113 3.912 ( 2.524 -0.553 10.342) 10.659 4.186 ( 0.243 -0.993 7.263) 7.335 4.603 ( -1.354 -0.190 0.960) 1.671 4.751 ( -2.567 -1.890 5.127) 6.037 4.895 ( -2.156 -2.376 1.765) 3.662 5.052 ( 1.478 -1.702 1.341) 2.623 5.137 ( -2.973 4.620 0.157) 5.496 5.262 ( -3.992 8.259 -2.228) 9.440 5.481 ( -1.169 -2.728 -4.211) 5.152 5.534 ( -7.623 -0.960 -0.501) 7.699 5.755 ( -6.306 -6.418 2.210) 9.265 5.819 ( -0.970 2.469 3.749) 4.593 6.022 ( -6.626 -1.296 1.650) 6.950 6.193 ( -6.633 -1.443 -3.333) 7.562 6.324 ( -3.707 3.466 3.490) 6.159 6.422 ( 5.332 -2.951 -8.896) 10.784 6.427 ( -4.219 2.173 -1.061) 4.863 6.548 ( 2.549 0.723 -5.888) 6.457 6.640 ( 8.634 5.375 -8.081) 12.990 6.709 ( -3.971 -3.066 -3.788) 6.286 6.859 ( 0.599 2.130 -7.200) 7.532 7.039 ( -2.356 0.724 -2.837) 3.758 7.205 ( -3.963 -1.586 -0.274) 4.278 7.341 ( 3.271 3.137 -8.510) 9.642 7.440 ( -6.131 1.373 5.617) 8.428 7.501 ( 5.502 -4.762 -3.963) 8.286 7.722 ( 2.642 -5.654 2.499) 6.723 7.867 ( 1.321 -4.690 10.133) 11.244 7.952 ( 0.550 6.336 -6.108) 8.818 8.228 ( 1.939 10.855 2.151) 11.234 8.473 ( 0.241 -4.039 0.383) 4.065 8.497 ( -6.088 -4.386 3.968) 8.487 8.568 ( -0.648 -6.914 0.664) 6.976 8.702 ( -3.556 1.461 -0.156) 3.847 8.931 ( -11.175 6.314 0.355) 12.840 9.287 ( 24.891 -2.273 -10.289) 27.029 16.589 ( -0.032 -0.672 0.292) 0.733 16.754 ( 0.280 -5.396 0.644) 5.441 16.841 ( 0.967 -1.795 -0.484) 2.096 16.906 ( 0.053 -3.130 -1.531) 3.485 17.417 ( -1.668 3.416 -0.024) 3.802 17.509 ( -0.529 -0.022 -0.100) 0.538 17.759 ( -2.398 4.806 -0.066) 5.372 17.922 ( -2.421 1.449 -2.057) 3.492 22.358 ( -0.203 0.298 -0.244) 0.435 22.385 ( -0.297 -0.279 -1.704) 1.752 22.508 ( -0.360 0.177 -0.064) 0.407 22.530 ( -1.029 -0.301 0.172) 1.086 27.237 ( -0.560 0.075 -0.051) 0.567 27.262 ( 0.702 0.378 0.738) 1.086 27.332 ( 0.819 -0.391 0.108) 0.914 27.355 ( 1.628 0.124 0.611) 1.743 36.780 ( 0.072 -3.048 0.447) 3.081 36.875 ( 4.276 -2.607 0.578) 5.041 37.354 ( -0.065 7.045 -1.188) 7.145 37.614 ( -0.548 1.619 -1.702) 2.413 37.827 ( -3.502 4.072 1.077) 5.477 38.220 ( -7.018 -4.544 4.685) 9.584 38.985 ( 5.144 3.161 -4.624) 7.606 39.405 ( 7.949 -5.711 11.276) 14.932 ======================= Grid point 72 (36/126) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -24.375 5.711 8.560) 26.458 2.041 ( -23.198 4.322 6.902) 24.586 2.376 ( 1.697 -5.359 8.861) 10.494 2.817 ( -0.966 -3.096 8.497) 9.094 2.849 ( -1.608 -2.192 -7.644) 8.113 2.916 ( -2.318 -8.533 1.307) 8.938 3.056 ( -0.858 0.489 4.085) 4.203 3.339 ( -2.855 -2.819 -0.234) 4.020 3.507 ( -9.091 12.115 -1.286) 15.201 3.563 ( -11.838 9.718 7.642) 17.117 3.722 ( -0.794 2.048 5.350) 5.784 3.915 ( 7.792 0.712 10.102) 12.778 4.005 ( 2.231 -1.336 7.673) 8.101 4.193 ( -0.169 -2.378 5.600) 6.086 4.537 ( -8.914 7.944 4.223) 12.665 4.716 ( -3.264 -2.772 5.281) 6.799 4.847 ( -1.047 1.776 -0.492) 2.120 5.006 ( -6.882 -1.244 -2.815) 7.539 5.082 ( -1.725 8.092 -2.973) 8.792 5.223 ( -0.046 -3.174 1.439) 3.485 5.294 ( -11.234 4.562 -4.095) 12.798 5.501 ( -3.791 2.102 2.365) 4.938 5.667 ( -1.418 -10.438 1.784) 10.684 5.707 ( -7.260 -9.194 3.034) 12.101 5.933 ( -6.049 2.408 -1.495) 6.680 6.096 ( 0.962 3.097 -1.328) 3.505 6.258 ( -5.336 2.869 2.644) 6.610 6.340 ( -3.731 0.367 -0.362) 3.766 6.454 ( -1.694 -6.694 -8.500) 10.951 6.536 ( -0.406 0.697 -8.655) 8.693 6.649 ( 0.776 0.614 -11.593) 11.635 6.673 ( -3.090 -5.421 -6.875) 9.285 6.876 ( -2.038 1.881 -0.056) 2.774 7.009 ( 4.711 4.266 -5.941) 8.700 7.139 ( -1.826 -2.444 -1.137) 3.256 7.357 ( -1.219 2.496 3.536) 4.496 7.419 ( 4.789 -0.108 -7.089) 8.556 7.561 ( -0.574 -1.197 -1.344) 1.889 7.816 ( 8.050 -2.242 -3.269) 8.973 7.923 ( -0.010 -3.864 10.498) 11.187 7.945 ( 1.571 3.993 -1.476) 4.538 8.282 ( -2.050 4.687 3.308) 6.092 8.380 ( -6.716 -1.593 4.762) 8.386 8.460 ( 1.791 -0.318 -2.659) 3.221 8.559 ( -1.287 -1.028 2.566) 3.049 8.660 ( 1.625 1.240 2.156) 2.971 8.778 ( -5.038 7.429 -2.916) 9.438 9.738 ( 25.281 -9.869 -8.342) 28.393 16.595 ( 0.550 -0.634 -0.305) 0.893 16.757 ( -0.109 -3.476 0.635) 3.535 16.862 ( 1.339 -1.958 -0.051) 2.373 16.909 ( 1.040 -2.980 -1.449) 3.473 17.376 ( -2.607 3.527 -0.083) 4.386 17.484 ( -2.151 -0.569 0.228) 2.237 17.694 ( -4.307 3.845 -0.047) 5.774 17.849 ( -4.330 1.098 -2.207) 4.982 22.352 ( -0.366 0.313 -0.315) 0.576 22.372 ( -0.430 -0.142 -1.992) 2.043 22.502 ( -0.242 0.054 0.242) 0.346 22.514 ( -0.714 -0.187 -0.002) 0.738 27.233 ( 0.075 0.198 -0.193) 0.287 27.274 ( 0.250 1.349 0.815) 1.595 27.349 ( 0.991 -1.289 -0.006) 1.625 27.387 ( 1.319 -0.109 1.363) 1.900 36.790 ( 0.573 -2.273 1.354) 2.707 36.953 ( 3.459 -0.932 0.665) 3.643 37.340 ( -1.020 6.261 -1.755) 6.582 37.614 ( 1.080 2.632 -3.772) 4.724 37.756 ( -4.475 2.027 3.417) 5.984 38.075 ( -9.185 -3.873 3.229) 10.478 39.065 ( 5.241 3.417 -5.126) 8.089 39.602 ( 7.983 -8.754 15.343) 19.384 ======================= Grid point 73 (37/126) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -21.780 10.442 16.065) 29.008 1.618 ( -24.156 12.979 11.289) 29.655 2.432 ( -0.429 -14.296 10.309) 17.631 2.662 ( -29.169 9.837 6.595) 31.482 2.804 ( -1.749 -0.230 -4.710) 5.030 2.837 ( -0.133 -3.279 6.149) 6.969 3.032 ( -3.140 -3.471 4.445) 6.454 3.197 ( -9.022 5.060 2.942) 10.755 3.268 ( -4.573 -1.112 0.443) 4.727 3.483 ( -5.940 11.966 2.354) 13.566 3.712 ( -2.185 4.158 1.245) 4.859 4.006 ( -2.266 -3.917 -0.945) 4.623 4.102 ( 7.666 2.745 9.806) 12.746 4.263 ( 1.926 0.362 7.444) 7.697 4.340 ( -9.619 1.831 5.796) 11.378 4.652 ( -4.208 3.746 4.238) 7.050 4.777 ( -11.425 -2.095 -3.658) 12.178 4.894 ( 1.112 5.345 -8.036) 9.715 5.019 ( -9.697 8.220 -1.533) 12.804 5.110 ( 1.983 6.441 5.229) 8.530 5.261 ( 1.492 -6.053 0.346) 6.243 5.435 ( -1.663 0.147 1.797) 2.453 5.605 ( -3.333 -9.373 -5.128) 11.192 5.703 ( -6.001 -3.273 -2.385) 7.240 5.794 ( 0.010 -7.837 -4.458) 9.017 6.117 ( -1.445 3.605 0.003) 3.883 6.160 ( -5.140 5.819 -4.084) 8.773 6.244 ( -8.359 -6.361 -1.843) 10.664 6.370 ( 3.257 4.424 -9.203) 10.718 6.494 ( -3.458 -3.523 -6.425) 8.102 6.528 ( -6.744 -7.573 -6.047) 11.806 6.646 ( -1.189 -3.184 1.793) 3.843 6.783 ( -3.257 4.533 2.135) 5.976 7.109 ( -0.133 1.068 -3.033) 3.218 7.153 ( 8.675 -3.662 -5.952) 11.139 7.401 ( 4.299 3.852 2.420) 6.259 7.462 ( 1.000 -2.375 -6.998) 7.457 7.529 ( -0.430 2.336 1.007) 2.579 7.841 ( -3.398 10.513 -0.219) 11.050 7.938 ( -2.212 -7.444 2.795) 8.253 8.025 ( 1.766 -1.616 5.610) 6.099 8.201 ( -5.720 -0.413 5.028) 7.627 8.346 ( 4.878 -1.562 -2.794) 5.834 8.415 ( -4.776 -0.749 2.028) 5.242 8.598 ( 1.592 2.008 -2.638) 3.677 8.726 ( 3.043 12.383 -3.558) 13.238 8.803 ( 9.420 1.464 6.009) 11.269 10.156 ( 21.194 -16.145 -4.317) 26.991 16.608 ( 1.229 0.464 -0.689) 1.483 16.755 ( -0.320 -0.464 0.187) 0.594 16.888 ( 1.257 -2.083 0.102) 2.435 16.937 ( 2.165 -2.532 -0.997) 3.478 17.324 ( -2.548 2.683 -0.430) 3.725 17.432 ( -3.392 -1.111 0.358) 3.587 17.602 ( -5.260 2.135 -0.385) 5.690 17.753 ( -4.758 0.058 -2.402) 5.330 22.345 ( -0.231 0.443 -0.247) 0.557 22.357 ( -0.340 0.025 -1.094) 1.146 22.501 ( -0.106 -0.039 0.606) 0.616 22.504 ( -0.343 -0.102 0.062) 0.363 27.231 ( -0.345 0.510 -0.037) 0.617 27.283 ( 0.613 1.872 0.507) 2.034 27.367 ( 0.890 -1.867 -0.333) 2.095 27.411 ( 0.482 -0.428 1.517) 1.648 36.809 ( 0.866 -0.728 1.754) 2.088 37.000 ( 1.283 0.820 0.144) 1.530 37.295 ( -3.111 5.867 -2.252) 7.012 37.616 ( 0.738 2.467 -4.500) 5.185 37.681 ( -6.183 -0.767 7.068) 9.422 37.939 ( -4.937 -3.193 1.438) 6.053 39.129 ( 3.403 4.296 -9.759) 11.193 39.808 ( 7.498 -14.318 13.963) 21.359 ======================= Grid point 74 (38/126) ======================= q-point: (-0.10 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -16.209 13.915 21.929) 30.614 1.262 ( -17.596 24.321 17.245) 34.620 1.989 ( -39.526 24.614 21.871) 51.445 2.427 ( -4.088 -15.860 8.482) 18.444 2.756 ( -3.552 -7.158 1.076) 8.063 2.843 ( -0.999 2.187 1.044) 2.622 3.024 ( 1.543 -5.199 0.284) 5.431 3.134 ( -1.621 3.491 5.315) 6.562 3.206 ( -2.055 0.536 -0.764) 2.257 3.378 ( -3.434 10.981 -1.068) 11.555 3.639 ( -4.757 6.408 -0.506) 7.997 3.938 ( -4.414 -3.470 -5.480) 7.846 4.146 ( -7.036 -0.874 10.226) 12.444 4.258 ( 2.110 -1.856 0.966) 2.971 4.394 ( 5.321 0.761 6.240) 8.235 4.532 ( -7.535 0.184 1.582) 7.702 4.664 ( 4.147 10.267 -0.059) 11.073 4.858 ( -3.559 9.467 -2.213) 10.353 4.907 ( 0.706 7.486 -9.073) 11.784 5.215 ( 2.779 -3.365 -0.607) 4.406 5.277 ( -1.187 -2.457 -3.390) 4.352 5.381 ( -10.327 -5.118 1.005) 11.569 5.414 ( -10.214 -2.216 -9.677) 14.243 5.564 ( 0.404 0.590 -2.496) 2.596 5.828 ( -1.516 -3.484 -9.459) 10.193 5.956 ( 0.592 2.686 -8.065) 8.521 6.142 ( -2.585 -1.338 4.402) 5.277 6.209 ( 4.656 -2.195 5.080) 7.232 6.336 ( -5.939 -7.820 -3.814) 10.534 6.382 ( -5.276 -6.394 -2.635) 8.698 6.506 ( 7.765 5.290 -2.724) 9.783 6.629 ( -2.561 -2.702 8.186) 8.993 6.805 ( 3.131 6.994 7.010) 10.385 7.113 ( 2.039 2.859 -3.711) 5.109 7.256 ( 5.001 -6.317 -8.584) 11.773 7.428 ( -0.949 2.100 -5.188) 5.677 7.501 ( 5.388 -1.983 -1.835) 6.027 7.530 ( -1.684 2.819 0.430) 3.311 7.777 ( -2.274 4.400 0.920) 5.038 7.842 ( -6.103 -6.912 0.747) 9.251 8.060 ( -0.469 -0.512 6.900) 6.935 8.119 ( -4.618 4.444 6.796) 9.341 8.348 ( -1.547 0.817 1.694) 2.435 8.486 ( 7.316 -7.117 -7.136) 12.454 8.595 ( 1.661 5.884 -3.190) 6.896 8.809 ( 3.363 5.064 6.013) 8.550 9.006 ( 8.940 9.641 2.433) 13.371 10.474 ( 11.845 -22.307 -0.716) 25.267 16.646 ( 3.429 3.084 -1.223) 4.771 16.746 ( -0.502 1.913 -0.515) 2.043 16.906 ( 0.532 -1.817 -0.045) 1.894 16.969 ( 1.087 -1.472 -0.479) 1.892 17.286 ( -0.914 1.071 -1.032) 1.746 17.365 ( -3.701 -1.770 0.031) 4.102 17.493 ( -6.061 0.998 -0.884) 6.206 17.663 ( -3.557 -1.774 -2.350) 4.618 22.339 ( -0.128 0.529 -0.317) 0.630 22.376 ( 2.804 -0.715 3.007) 4.173 22.500 ( -0.033 -0.026 0.193) 0.197 22.503 ( -0.007 -0.027 0.893) 0.894 27.222 ( -0.558 1.210 0.261) 1.357 27.297 ( 0.615 1.548 -0.039) 1.666 27.380 ( 0.558 -2.044 -0.276) 2.136 27.413 ( -0.630 -0.632 0.636) 1.096 36.842 ( 2.416 1.510 1.229) 3.103 37.009 ( 0.375 2.392 -0.958) 2.604 37.215 ( -4.185 4.441 -1.439) 6.269 37.551 ( -8.954 -4.849 4.638) 11.189 37.631 ( 1.557 2.527 -1.533) 3.340 37.908 ( -0.097 -3.331 2.877) 4.403 39.054 ( -8.587 10.013 -21.345) 25.092 39.893 ( -4.807 -19.365 0.208) 19.953 ======================= Grid point 75 (39/126) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -5.783 21.593 14.644) 26.724 1.681 ( 1.828 2.615 9.747) 10.256 1.748 ( -13.941 7.057 14.624) 21.402 2.283 ( -5.081 -22.749 8.034) 24.655 2.679 ( 0.610 31.826 13.575) 34.605 2.914 ( -0.786 4.207 -1.072) 4.412 3.010 ( 0.258 -1.449 -0.879) 1.714 3.202 ( 0.929 1.614 4.039) 4.448 3.215 ( 1.767 0.413 1.815) 2.566 3.303 ( -0.615 -19.327 5.784) 20.183 3.741 ( 2.075 10.840 -5.554) 12.355 3.851 ( -2.249 2.511 -5.840) 6.743 4.047 ( -2.754 -1.075 1.549) 3.338 4.123 ( -3.529 -6.927 1.049) 7.845 4.452 ( -2.928 4.633 0.421) 5.497 4.543 ( -0.248 -3.036 4.472) 5.411 4.886 ( -8.508 6.542 -10.739) 15.183 4.953 ( 4.375 6.322 -0.939) 7.745 4.983 ( 1.182 -2.196 -7.702) 8.096 5.090 ( 2.018 -6.259 -4.115) 7.757 5.153 ( -3.441 10.197 -3.540) 11.329 5.349 ( -0.986 12.465 -0.842) 12.533 5.414 ( -1.901 -6.972 0.735) 7.264 5.551 ( 3.637 -2.566 0.843) 4.531 5.734 ( 3.784 -10.265 -1.172) 11.003 5.755 ( -6.561 -14.802 -0.491) 16.198 6.050 ( 5.356 2.424 -2.709) 6.473 6.105 ( 2.383 -1.968 0.554) 3.140 6.307 ( 4.316 1.951 -1.761) 5.054 6.366 ( 8.114 -2.575 -2.284) 8.814 6.560 ( -1.573 -0.118 4.869) 5.118 6.585 ( 1.523 -2.789 0.396) 3.203 7.027 ( 1.571 5.085 8.073) 9.669 7.168 ( 5.909 -7.360 -0.268) 9.442 7.275 ( -0.248 3.066 -1.782) 3.555 7.367 ( -0.777 -6.051 0.398) 6.114 7.508 ( -0.215 4.025 -8.447) 9.359 7.550 ( -0.447 1.222 -9.536) 9.624 7.796 ( -1.803 7.216 5.089) 9.012 7.829 ( -0.226 1.630 4.421) 4.718 7.988 ( -1.736 -1.246 4.131) 4.651 8.094 ( -2.829 -5.232 6.069) 8.498 8.390 ( 0.812 1.709 -1.629) 2.496 8.433 ( 0.462 -2.183 -3.112) 3.829 8.695 ( 1.055 1.926 2.975) 3.698 8.783 ( -1.442 -5.669 11.091) 12.539 9.597 ( 3.741 24.641 -4.444) 25.316 10.095 ( 1.858 -20.820 -4.328) 21.347 16.797 ( -0.104 2.914 -1.098) 3.116 16.808 ( 1.007 4.502 -1.369) 4.813 16.861 ( -0.632 -2.276 -0.160) 2.367 16.908 ( -0.796 -3.725 -0.210) 3.815 17.289 ( 0.747 0.625 -0.858) 1.299 17.303 ( 0.820 -0.588 -0.537) 1.143 17.461 ( -1.244 3.322 -0.434) 3.573 17.542 ( -0.473 -3.930 -1.414) 4.204 22.360 ( 0.595 1.126 0.705) 1.455 22.394 ( 1.445 -2.158 1.902) 3.219 22.505 ( 0.242 0.092 0.872) 0.909 22.509 ( 0.578 -0.314 1.428) 1.572 27.267 ( 0.343 2.854 0.205) 2.882 27.326 ( 0.209 -0.628 -0.416) 0.782 27.338 ( -0.681 -0.644 0.013) 0.938 27.367 ( -1.446 -1.563 -0.328) 2.154 36.969 ( 1.385 3.671 -0.558) 3.963 37.035 ( 2.521 -2.026 -1.697) 3.653 37.218 ( -3.028 2.535 0.962) 4.064 37.279 ( -6.087 -3.206 2.398) 7.286 37.751 ( 3.543 3.900 2.001) 5.636 37.844 ( 2.319 -4.386 3.052) 5.824 39.123 ( -9.967 17.125 -19.439) 27.758 39.418 ( -8.670 -11.378 -8.958) 16.878 ======================= Grid point 76 (40/126) ======================= q-point: ( 0.10 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 2.823 20.222 12.166) 23.768 1.641 ( -2.993 -2.865 16.148) 16.671 1.882 ( 15.488 7.408 4.117) 17.655 2.311 ( 4.898 -20.182 5.277) 21.428 2.797 ( 6.254 19.915 11.463) 23.814 2.921 ( 1.394 5.503 0.350) 5.688 2.997 ( 0.149 3.943 -0.509) 3.979 3.250 ( 2.151 1.775 4.491) 5.287 3.277 ( 3.585 -0.535 3.820) 5.266 3.386 ( 5.391 -15.011 3.113) 16.251 3.761 ( -1.870 9.841 -1.291) 10.100 3.821 ( 4.144 5.094 -8.027) 10.371 3.990 ( -4.386 -1.483 -1.744) 4.948 4.111 ( 2.147 -9.078 -2.682) 9.706 4.406 ( -0.368 4.406 0.586) 4.460 4.451 ( -9.234 1.611 4.345) 10.332 4.770 ( -0.312 9.318 -4.013) 10.151 4.931 ( -1.020 -0.782 -4.903) 5.068 5.016 ( 2.216 6.500 -3.477) 7.698 5.169 ( 7.671 -1.919 -2.016) 8.161 5.249 ( 7.349 -3.798 1.119) 8.347 5.331 ( 1.211 7.041 -2.690) 7.634 5.377 ( 1.431 -5.192 -4.092) 6.764 5.598 ( -7.297 -4.321 -1.851) 8.680 5.658 ( 6.288 -6.057 0.109) 8.731 5.772 ( 1.479 -12.091 1.013) 12.223 6.170 ( 7.012 1.328 -1.245) 7.245 6.181 ( 3.841 2.655 -1.308) 4.850 6.401 ( 3.389 3.285 2.683) 5.429 6.521 ( 6.009 -3.624 0.858) 7.069 6.555 ( 1.500 -0.088 0.955) 1.781 6.620 ( 3.299 -8.507 -3.034) 9.616 7.115 ( 4.927 6.727 8.155) 11.663 7.233 ( -1.730 2.503 -3.507) 4.643 7.269 ( 1.967 -4.101 0.118) 4.550 7.345 ( -1.933 -7.713 -1.017) 8.016 7.520 ( 4.805 2.125 -7.484) 9.144 7.563 ( 4.883 -0.992 -6.162) 7.924 7.755 ( -3.377 6.256 4.433) 8.379 7.838 ( -3.216 -2.068 8.633) 9.442 8.001 ( 4.100 0.896 -2.002) 4.650 8.052 ( -3.882 -0.348 6.799) 7.837 8.379 ( -0.642 1.406 -2.416) 2.868 8.438 ( 2.537 -5.008 -6.345) 8.472 8.684 ( -4.725 0.977 5.505) 7.320 8.744 ( -8.100 -4.358 13.014) 15.936 9.569 ( -4.657 24.298 -2.091) 24.829 10.035 ( -5.391 -17.766 -3.741) 18.940 16.774 ( -2.875 4.405 -0.397) 5.275 16.783 ( -1.535 3.082 -0.569) 3.490 16.840 ( -1.162 -2.669 -0.787) 3.015 16.879 ( -1.880 -4.183 -0.708) 4.640 17.317 ( 1.941 0.721 -0.055) 2.072 17.335 ( 2.126 -0.830 0.114) 2.285 17.506 ( 6.038 3.714 -1.635) 7.275 17.587 ( 5.565 -3.515 -2.237) 6.952 22.374 ( 0.443 1.457 0.793) 1.717 22.415 ( 0.210 -2.381 0.988) 2.587 22.515 ( 0.328 0.460 1.227) 1.351 22.533 ( 0.877 -1.528 2.682) 3.208 27.275 ( 0.362 3.027 0.407) 3.076 27.306 ( -1.531 1.031 -0.935) 2.069 27.327 ( -1.488 -1.059 -0.808) 1.997 27.346 ( -0.001 -3.063 0.057) 3.063 36.912 ( -5.731 5.118 0.352) 7.692 37.021 ( -3.712 -4.484 -0.240) 5.826 37.245 ( 5.878 4.019 -0.587) 7.145 37.334 ( 9.629 -4.079 -1.642) 10.585 37.853 ( 5.581 3.461 5.359) 8.476 37.928 ( 4.936 -3.246 5.697) 8.207 38.838 ( -9.907 21.715 -22.822) 33.024 39.183 ( -11.097 -11.440 -12.856) 20.477 ======================= Grid point 77 (41/126) ======================= q-point: ( 0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 12.265 13.665 10.278) 21.043 1.735 ( 6.359 -7.921 15.586) 18.604 2.214 ( 16.885 5.470 3.711) 18.132 2.461 ( 8.367 -12.300 4.395) 15.512 2.875 ( -1.243 3.616 0.459) 3.851 2.939 ( -0.655 -1.794 0.753) 2.053 3.109 ( 9.552 15.704 2.286) 18.522 3.296 ( 2.063 -0.704 0.016) 2.179 3.375 ( 5.394 1.272 6.255) 8.357 3.490 ( 4.197 -7.264 0.586) 8.409 3.735 ( -1.171 5.366 -0.294) 5.500 3.802 ( -3.705 0.674 -4.526) 5.888 3.910 ( -2.759 6.609 -1.150) 7.253 4.091 ( -4.449 -6.751 -0.430) 8.097 4.373 ( 1.250 5.769 3.755) 6.995 4.479 ( 6.281 -0.368 1.641) 6.503 4.790 ( 2.436 3.632 -1.214) 4.538 4.908 ( 0.305 -3.790 -3.961) 5.490 5.115 ( 8.715 3.566 -1.206) 9.493 5.190 ( -1.915 -7.702 1.632) 8.103 5.376 ( 4.000 7.974 -2.811) 9.353 5.407 ( 8.635 6.107 -0.314) 10.581 5.479 ( -0.700 -3.411 -2.950) 4.563 5.513 ( 9.879 -1.117 -6.887) 12.094 5.779 ( 4.170 -5.940 1.164) 7.350 5.858 ( 7.789 -10.110 5.232) 13.793 6.210 ( 0.304 9.053 -1.367) 9.161 6.286 ( 5.167 1.582 0.083) 5.405 6.469 ( 3.782 -1.141 1.129) 4.109 6.553 ( 1.118 -4.481 2.693) 5.347 6.622 ( 3.248 -1.469 -4.696) 5.896 6.705 ( 6.268 -11.859 -6.258) 14.801 7.161 ( -3.121 4.102 -3.878) 6.451 7.240 ( 2.494 4.080 4.222) 6.379 7.247 ( -0.848 0.340 -4.214) 4.312 7.339 ( 1.604 -3.116 -0.589) 3.554 7.562 ( -3.783 -1.665 6.078) 7.350 7.582 ( -4.883 -4.899 7.976) 10.557 7.727 ( 1.156 6.841 -2.973) 7.548 7.814 ( 1.303 0.140 -0.806) 1.539 8.015 ( -0.445 4.935 1.886) 5.302 8.148 ( 11.498 -5.763 -4.144) 13.512 8.374 ( 1.225 4.099 -3.729) 5.675 8.475 ( 2.047 -4.935 -3.831) 6.575 8.546 ( -11.731 -0.409 7.085) 13.710 8.577 ( -12.165 -4.216 10.719) 16.753 9.443 ( -7.737 23.895 0.328) 25.118 9.900 ( -7.781 -17.285 -1.972) 19.058 16.706 ( -3.737 3.688 1.014) 5.348 16.746 ( -2.746 0.745 -0.092) 2.847 16.820 ( -0.596 -1.656 -1.067) 2.058 16.846 ( -0.891 -4.209 -0.932) 4.402 17.360 ( 2.616 0.985 0.143) 2.799 17.381 ( 2.819 -0.943 -0.091) 2.974 17.640 ( 7.997 3.965 -2.175) 9.187 17.709 ( 7.670 -2.340 -2.559) 8.417 22.380 ( 0.037 1.301 0.386) 1.357 22.414 ( -0.439 -1.692 0.134) 1.753 22.525 ( 0.243 0.840 1.324) 1.587 22.552 ( 0.085 -1.837 2.756) 3.313 27.270 ( -1.139 1.208 -1.091) 1.987 27.278 ( -1.244 0.883 0.354) 1.566 27.300 ( -0.200 0.544 -1.126) 1.266 27.348 ( -0.107 -2.677 0.213) 2.687 36.811 ( -4.751 4.971 0.247) 6.881 36.932 ( -5.234 -5.561 0.305) 7.643 37.390 ( 8.840 6.588 -2.332) 11.269 37.522 ( 9.457 -5.329 -1.356) 10.940 37.976 ( 4.011 3.920 8.331) 10.043 38.048 ( 3.898 -2.626 9.055) 10.202 38.654 ( 0.173 16.491 -22.121) 27.593 38.952 ( -6.977 -10.814 -13.973) 18.997 ======================= Grid point 78 (42/126) ======================= q-point: ( 0.30 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 16.390 7.700 8.066) 19.824 1.967 ( 11.630 -8.967 14.588) 20.699 2.522 ( 13.382 5.030 5.046) 15.161 2.647 ( 9.221 -4.336 6.500) 12.086 2.819 ( -3.170 2.574 0.610) 4.129 2.903 ( -3.004 -4.375 -0.900) 5.383 3.204 ( 0.712 7.228 -0.512) 7.281 3.338 ( 1.894 -4.727 -1.638) 5.349 3.459 ( -6.321 1.591 -2.036) 6.828 3.498 ( -0.907 -1.223 3.120) 3.472 3.689 ( -0.106 4.328 -2.910) 5.217 3.754 ( 2.024 -0.278 -1.711) 2.664 3.920 ( 1.562 5.905 5.582) 8.274 4.010 ( -3.221 -2.663 3.076) 5.190 4.454 ( 4.139 2.029 2.808) 5.397 4.574 ( 2.610 -4.171 1.745) 5.221 4.851 ( 4.035 0.837 0.653) 4.172 4.915 ( 2.415 -5.604 -2.892) 6.753 5.194 ( 1.868 4.019 3.543) 5.674 5.302 ( 7.809 -2.987 -0.714) 8.391 5.412 ( 1.361 4.774 -1.306) 5.133 5.480 ( 7.811 -0.194 -1.948) 8.053 5.612 ( 8.215 4.012 -3.170) 9.676 5.704 ( 12.893 2.538 -7.859) 15.311 5.833 ( 0.114 1.177 6.523) 6.629 6.023 ( 6.268 -8.179 1.951) 10.487 6.227 ( 3.199 10.196 -2.777) 11.041 6.369 ( 3.948 0.740 0.861) 4.108 6.526 ( 2.035 0.211 -0.690) 2.159 6.611 ( 3.035 -5.896 -0.216) 6.634 6.663 ( 4.194 -2.631 -5.573) 7.455 6.769 ( 1.848 -11.037 -5.735) 12.575 7.090 ( -3.209 4.194 -3.492) 6.330 7.175 ( -3.294 -2.821 -3.573) 5.619 7.316 ( 2.511 2.812 6.878) 7.844 7.373 ( 2.029 1.091 -2.812) 3.635 7.455 ( -6.858 -3.205 10.057) 12.587 7.496 ( -4.585 -4.081 1.318) 6.278 7.710 ( -2.616 5.882 -0.989) 6.513 7.851 ( 0.292 -4.436 -1.716) 4.765 8.063 ( 3.094 9.932 1.158) 10.467 8.273 ( -11.343 4.005 5.552) 13.249 8.329 ( -7.263 -6.551 6.412) 11.696 8.338 ( 1.880 -8.533 1.730) 8.907 8.484 ( 8.321 3.592 -7.928) 12.041 8.565 ( 4.988 -3.592 -5.294) 8.112 9.289 ( -9.032 22.442 1.597) 24.244 9.716 ( -11.839 -16.022 0.615) 19.931 16.652 ( -2.481 1.667 1.425) 3.312 16.688 ( -2.990 -1.191 0.350) 3.237 16.808 ( -0.337 -0.718 -1.033) 1.302 16.838 ( 0.067 -3.405 -0.861) 3.513 17.413 ( 2.901 1.310 -0.069) 3.184 17.436 ( 2.901 -0.705 -0.401) 3.012 17.772 ( 6.533 4.380 -1.997) 8.114 17.837 ( 6.506 -1.562 -2.359) 7.095 22.379 ( -0.158 1.003 -0.018) 1.015 22.404 ( -0.508 -1.191 -0.323) 1.335 22.532 ( -0.028 0.911 1.032) 1.377 22.557 ( -0.497 -1.403 2.032) 2.519 27.249 ( -0.579 0.470 -0.767) 1.070 27.254 ( -0.921 0.061 -0.065) 0.926 27.303 ( 0.500 1.380 -0.606) 1.588 27.341 ( -0.576 -1.873 -0.084) 1.962 36.741 ( -2.674 3.153 0.007) 4.134 36.838 ( -4.686 -5.049 0.251) 6.893 37.521 ( 5.048 7.848 -1.864) 9.515 37.648 ( 3.828 -3.548 0.356) 5.232 38.036 ( -0.543 4.318 6.925) 8.179 38.117 ( 0.951 -3.168 6.751) 7.517 38.690 ( 9.331 7.794 -14.902) 19.232 38.866 ( 2.792 -7.725 -10.355) 13.217 ======================= Grid point 79 (43/126) ======================= q-point: ( 0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 13.545 4.996 6.333) 15.765 2.230 ( 9.693 -7.952 11.838) 17.243 2.632 ( -3.105 6.600 1.550) 7.456 2.787 ( -2.044 -6.816 2.682) 7.604 2.888 ( 6.700 0.768 4.009) 7.845 2.905 ( 10.650 0.007 8.497) 13.625 3.150 ( -6.858 3.462 -1.615) 7.850 3.213 ( -12.282 -0.553 -2.426) 12.531 3.391 ( 0.485 -0.653 -1.966) 2.127 3.450 ( -0.064 -4.184 2.674) 4.966 3.718 ( 1.518 9.401 2.005) 9.731 3.818 ( 2.886 1.408 1.121) 3.401 3.942 ( 0.335 -4.019 3.460) 5.314 3.993 ( -1.056 -4.889 2.099) 5.424 4.526 ( 2.515 2.032 1.915) 3.758 4.622 ( 2.040 -5.139 3.011) 6.296 4.916 ( 2.041 1.721 2.072) 3.380 4.977 ( 3.771 -3.191 -0.580) 4.973 5.245 ( 2.444 7.482 0.749) 7.907 5.397 ( 3.126 -4.021 1.079) 5.206 5.460 ( 2.161 5.672 -0.407) 6.084 5.597 ( 3.473 -5.695 2.449) 7.105 5.784 ( 10.808 4.376 -5.190) 12.763 5.829 ( -1.681 3.313 6.211) 7.238 5.906 ( 11.373 2.244 -9.653) 15.085 6.077 ( 0.094 -5.031 -2.547) 5.640 6.315 ( 6.067 7.505 -1.831) 9.823 6.437 ( 2.602 -1.885 -0.855) 3.325 6.551 ( -0.770 5.072 -4.061) 6.543 6.608 ( 0.748 3.703 -2.852) 4.734 6.707 ( -6.603 -7.794 -1.865) 10.384 6.761 ( 5.399 -8.063 -1.258) 9.785 7.007 ( -4.183 3.579 -2.129) 5.903 7.089 ( -4.438 -4.371 0.220) 6.233 7.352 ( -1.821 3.139 -5.022) 6.196 7.386 ( -1.068 0.154 -0.148) 1.089 7.449 ( 2.888 -2.480 2.495) 4.552 7.484 ( 4.003 -3.924 6.103) 8.286 7.639 ( -4.699 5.434 3.882) 8.166 7.793 ( -6.692 -6.339 6.238) 11.130 8.070 ( 1.376 2.432 -3.019) 4.114 8.096 ( -5.546 1.144 0.576) 5.692 8.298 ( 2.526 0.913 -1.268) 2.970 8.392 ( 1.021 -7.805 1.194) 7.961 8.641 ( 5.199 2.008 -2.877) 6.272 8.649 ( 7.586 0.755 -4.346) 8.775 9.129 ( -7.139 17.374 -0.998) 18.809 9.462 ( -15.103 -12.194 1.746) 19.489 16.619 ( -1.698 0.678 1.298) 2.242 16.650 ( -1.145 -2.231 0.507) 2.559 16.800 ( -0.146 -0.278 -0.920) 0.972 16.836 ( 0.032 -3.376 -0.819) 3.474 17.461 ( 2.051 1.519 -0.027) 2.553 17.482 ( 2.062 -0.408 -0.303) 2.123 17.863 ( 3.756 4.666 -1.736) 6.237 17.928 ( 3.789 -1.157 -2.167) 4.516 22.376 ( -0.159 0.756 -0.271) 0.818 22.394 ( -0.385 -0.855 -0.614) 1.121 22.531 ( -0.322 0.758 0.537) 0.983 22.550 ( -0.768 -0.963 1.157) 1.690 27.241 ( -0.107 0.343 0.009) 0.359 27.248 ( -0.003 -0.209 0.191) 0.283 27.311 ( 0.632 0.771 -0.600) 1.164 27.329 ( -0.421 -0.812 -0.434) 1.012 36.713 ( -0.268 0.827 0.115) 0.877 36.767 ( -2.828 -3.625 0.636) 4.642 37.557 ( -0.238 7.918 -0.860) 7.968 37.672 ( -1.176 -2.734 0.936) 3.120 38.029 ( -1.267 5.749 2.465) 6.383 38.155 ( 1.121 -5.807 2.366) 6.370 38.839 ( 9.498 4.685 -6.416) 12.383 38.954 ( 7.860 -5.560 -2.775) 10.020 ======================= Grid point 80 (44/126) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.032 3.141 6.091) 6.853 2.357 ( -2.078 -6.261 10.837) 12.687 2.569 ( -1.968 6.761 2.090) 7.345 2.734 ( -1.950 -8.026 0.504) 8.275 2.935 ( -8.679 1.731 -0.488) 8.863 2.955 ( -8.586 1.269 -1.171) 8.758 3.072 ( 1.554 1.197 2.981) 3.568 3.151 ( 8.284 -4.208 4.214) 10.203 3.442 ( 6.271 3.667 5.125) 8.890 3.532 ( 5.538 -2.604 5.694) 8.359 3.754 ( 1.393 9.948 4.132) 10.862 3.859 ( 1.230 2.945 3.911) 5.048 3.967 ( -0.693 -6.275 0.123) 6.314 4.006 ( 3.337 -9.451 5.918) 11.640 4.559 ( 0.373 2.597 1.334) 2.944 4.657 ( 0.395 -5.101 3.112) 5.988 4.946 ( 0.635 4.378 1.125) 4.565 5.032 ( 1.686 -1.774 1.933) 3.119 5.266 ( -0.575 5.728 -1.980) 6.088 5.414 ( -1.642 -5.554 -1.838) 6.076 5.476 ( -0.572 5.874 2.780) 6.524 5.614 ( -4.243 -5.035 6.694) 9.390 5.807 ( -2.779 7.079 3.833) 8.516 5.915 ( 2.361 1.548 -1.801) 3.349 6.050 ( 2.251 -0.871 -8.344) 8.686 6.099 ( 12.237 -3.796 -11.967) 17.532 6.405 ( 2.392 1.007 -4.205) 4.941 6.419 ( -7.194 1.235 -0.052) 7.299 6.478 ( -0.633 -1.377 -4.595) 4.838 6.532 ( -5.622 -2.057 -0.120) 5.987 6.679 ( 2.226 6.061 -1.628) 6.659 6.791 ( -2.185 -2.481 -2.286) 4.019 6.948 ( -0.439 3.366 -2.857) 4.437 7.030 ( -1.896 -4.567 0.599) 4.981 7.298 ( -1.770 3.069 -5.097) 6.207 7.330 ( -1.884 -0.709 -2.574) 3.268 7.487 ( -1.328 0.852 2.025) 2.567 7.517 ( -3.788 -3.116 3.916) 6.277 7.636 ( 1.231 2.565 8.845) 9.291 7.703 ( -4.060 -5.214 9.521) 11.589 8.064 ( 4.492 6.168 -7.530) 10.720 8.204 ( 11.534 -5.526 -7.351) 14.751 8.332 ( 1.632 -0.726 0.240) 1.803 8.391 ( -1.657 -6.377 1.679) 6.799 8.655 ( -3.117 7.255 3.709) 8.724 8.739 ( 1.425 -0.756 -0.237) 1.630 9.063 ( 2.496 6.671 -7.052) 10.023 9.201 ( -11.197 -5.209 -1.184) 12.406 16.597 ( -0.889 0.870 0.732) 1.443 16.642 ( -0.090 -3.364 0.610) 3.420 16.799 ( 0.434 -0.199 -0.676) 0.827 16.834 ( 0.127 -3.200 -0.833) 3.309 17.485 ( 0.382 1.722 0.223) 1.778 17.507 ( 0.579 -0.359 0.062) 0.684 17.897 ( 0.478 4.728 -1.579) 5.007 17.961 ( 0.519 -0.975 -2.089) 2.363 22.372 ( -0.131 0.578 -0.434) 0.734 22.385 ( -0.253 -0.619 -0.862) 1.091 22.524 ( -0.527 0.546 0.104) 0.766 22.537 ( -0.869 -0.647 0.438) 1.168 27.245 ( 0.242 0.116 0.430) 0.507 27.248 ( -0.031 -0.199 0.352) 0.405 27.323 ( 0.720 0.359 -0.276) 0.851 27.330 ( 0.723 -0.162 -0.273) 0.789 36.728 ( 1.155 -0.961 0.310) 1.534 36.744 ( 0.549 -2.191 1.737) 2.849 37.536 ( -1.030 7.098 -1.183) 7.269 37.637 ( -1.898 -2.222 0.076) 2.923 38.007 ( -1.984 6.732 -0.183) 7.021 38.158 ( -1.726 -6.996 0.805) 7.251 38.980 ( 6.767 5.051 -0.869) 8.488 39.105 ( 7.405 -6.001 3.535) 10.166 ======================= Grid point 81 (45/126) ======================= q-point: (-0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -14.864 3.857 9.599) 18.110 2.241 ( -11.858 -6.046 14.363) 19.583 2.525 ( -6.534 8.455 -1.704) 10.820 2.696 ( -4.418 -7.330 1.899) 8.767 2.816 ( -1.114 -1.312 -2.596) 3.115 2.834 ( -1.227 -2.861 -3.223) 4.480 3.121 ( 1.549 5.596 2.589) 6.357 3.248 ( 1.972 -5.623 1.114) 6.062 3.638 ( 8.043 4.451 9.895) 13.506 3.667 ( 6.643 2.339 7.901) 10.584 3.801 ( 2.388 4.370 2.167) 5.431 3.894 ( -0.925 -1.975 3.843) 4.419 3.959 ( -0.195 2.922 5.110) 5.889 4.092 ( 1.909 -7.031 8.418) 11.133 4.562 ( -0.373 1.207 3.313) 3.546 4.671 ( -0.203 -6.935 5.043) 8.578 4.954 ( 0.136 6.245 0.102) 6.247 5.053 ( -0.157 -0.784 2.634) 2.753 5.202 ( -5.280 3.777 -2.450) 6.939 5.342 ( -4.416 -5.837 -3.182) 7.981 5.448 ( -4.731 1.109 2.173) 5.324 5.496 ( -7.063 1.002 0.662) 7.164 5.733 ( -5.588 3.321 1.246) 6.619 5.830 ( -8.773 -0.648 -1.691) 8.958 6.126 ( 6.098 5.497 -6.730) 10.616 6.196 ( -11.879 3.792 0.191) 12.471 6.247 ( -1.069 -7.184 0.833) 7.311 6.339 ( -0.383 -6.032 -4.385) 7.467 6.474 ( -1.721 3.069 -4.302) 5.558 6.543 ( 4.446 -2.423 -7.728) 9.239 6.673 ( 0.075 1.870 -6.537) 6.799 6.704 ( -4.003 -0.311 -6.091) 7.295 6.950 ( -0.038 4.296 -1.350) 4.503 7.016 ( 0.076 -1.681 0.662) 1.808 7.233 ( -4.612 2.840 -1.523) 5.626 7.318 ( 1.013 -4.549 -0.923) 4.750 7.454 ( -1.501 2.548 2.060) 3.604 7.485 ( 1.692 0.249 -3.184) 3.614 7.644 ( -0.641 -0.596 5.017) 5.093 7.730 ( 1.608 -7.012 9.914) 12.249 8.147 ( 2.789 10.364 -2.281) 10.972 8.328 ( 3.964 0.941 -0.170) 4.078 8.338 ( -4.657 -6.410 3.595) 8.701 8.411 ( 4.998 -6.563 -2.117) 8.517 8.597 ( -2.266 8.376 0.925) 8.726 8.712 ( -3.131 -1.686 1.257) 3.772 9.050 ( -2.515 5.418 -5.535) 8.143 9.186 ( 12.022 -6.483 -9.241) 16.491 16.593 ( 0.287 1.371 0.216) 1.418 16.650 ( 0.943 -3.816 0.438) 3.955 16.810 ( 0.881 -0.458 -0.360) 1.056 16.835 ( 0.308 -2.695 -0.836) 2.838 17.476 ( -1.499 1.913 0.517) 2.485 17.503 ( -1.202 -0.638 0.457) 1.436 17.870 ( -2.696 4.566 -1.529) 5.519 17.933 ( -2.639 -1.005 -2.081) 3.508 22.367 ( -0.196 0.462 -0.583) 0.770 22.377 ( -0.238 -0.448 -1.126) 1.235 22.513 ( -0.554 0.343 -0.059) 0.654 22.522 ( -0.805 -0.420 0.043) 0.909 27.245 ( 0.010 0.607 0.088) 0.614 27.259 ( 0.827 -0.580 0.484) 1.120 27.335 ( 0.568 0.635 0.175) 0.870 27.350 ( 1.185 -0.549 0.549) 1.417 36.751 ( 1.519 0.585 1.695) 2.350 36.799 ( 3.668 -3.467 1.895) 5.391 37.519 ( -0.172 6.911 -2.123) 7.232 37.618 ( 0.100 -1.933 -1.343) 2.356 37.943 ( -4.560 6.369 -0.792) 7.873 38.091 ( -5.537 -6.871 0.383) 8.832 39.089 ( 4.770 6.347 2.047) 8.199 39.249 ( 5.785 -7.931 7.801) 12.539 ======================= Grid point 82 (46/126) ======================= q-point: (-0.30 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -18.366 10.044 13.281) 24.791 2.060 ( -13.483 -7.339 17.860) 23.551 2.345 ( -10.112 7.664 -0.103) 12.688 2.600 ( -5.328 -13.088 3.323) 14.516 2.830 ( 1.210 -0.003 -5.421) 5.555 2.835 ( 2.069 -0.445 -3.946) 4.478 3.151 ( 0.552 5.549 3.186) 6.422 3.259 ( -0.863 -4.364 0.963) 4.552 3.739 ( -4.020 6.427 9.215) 11.933 3.756 ( -9.020 8.087 -0.157) 12.116 3.772 ( -1.683 2.121 3.889) 4.739 3.893 ( 5.171 -3.947 5.869) 8.761 4.034 ( 3.928 4.369 10.127) 11.708 4.133 ( 0.744 -3.645 7.935) 8.764 4.556 ( -4.043 0.431 6.758) 7.887 4.670 ( -2.846 -6.930 6.877) 10.169 4.958 ( -0.755 7.393 0.644) 7.460 5.019 ( -4.525 5.063 -1.008) 6.865 5.109 ( -1.029 -3.865 -0.133) 4.002 5.229 ( -6.280 -9.746 -2.087) 11.780 5.305 ( -5.427 7.853 -5.097) 10.821 5.446 ( 0.264 -5.954 -4.995) 7.776 5.628 ( -5.984 2.281 1.047) 6.489 5.646 ( -8.799 4.933 0.416) 10.096 5.933 ( -12.493 1.141 -0.900) 12.578 6.117 ( -9.964 -12.247 3.401) 16.151 6.218 ( 1.525 6.126 -0.644) 6.346 6.331 ( -3.489 -4.182 0.169) 5.449 6.393 ( -2.836 3.801 -5.874) 7.549 6.522 ( -5.915 -6.887 -3.994) 9.919 6.629 ( 1.991 4.879 -14.303) 15.243 6.678 ( 1.805 0.370 -14.568) 14.684 6.927 ( -2.379 2.866 2.763) 4.638 7.003 ( -0.943 -3.487 -2.571) 4.433 7.170 ( 0.015 6.266 0.499) 6.286 7.349 ( 2.085 -7.304 -0.148) 7.597 7.467 ( 2.088 5.100 1.932) 5.839 7.531 ( 2.879 -1.793 -2.647) 4.302 7.711 ( 6.957 0.183 -0.904) 7.018 7.823 ( 4.063 -6.469 9.430) 12.136 8.128 ( -3.477 7.445 2.461) 8.578 8.241 ( -6.230 -3.861 3.788) 8.250 8.364 ( -1.773 1.115 2.773) 3.475 8.434 ( -2.261 -3.829 3.470) 5.640 8.618 ( 3.111 4.347 -2.709) 5.992 8.673 ( -0.326 -0.715 0.150) 0.800 9.048 ( 5.749 16.910 -7.957) 19.553 9.436 ( 16.935 -17.149 -9.441) 25.884 16.613 ( 1.930 2.552 -0.253) 3.210 16.685 ( 2.711 -3.441 0.098) 4.381 16.826 ( 0.870 -0.896 -0.155) 1.258 16.841 ( 0.694 -2.402 -0.631) 2.578 17.435 ( -3.055 1.938 0.711) 3.687 17.466 ( -2.879 -1.068 0.710) 3.152 17.788 ( -5.303 4.111 -1.567) 6.890 17.850 ( -5.176 -1.355 -2.109) 5.752 22.360 ( -0.303 0.385 -0.655) 0.818 22.367 ( -0.347 -0.285 -1.281) 1.357 22.504 ( -0.386 0.159 0.102) 0.429 22.509 ( -0.565 -0.242 0.013) 0.615 27.249 ( 0.453 1.249 -0.254) 1.353 27.279 ( 1.068 -1.109 0.228) 1.557 27.345 ( 0.246 1.096 0.632) 1.289 27.373 ( 0.826 -1.149 1.256) 1.892 36.796 ( 2.305 2.533 2.307) 4.129 36.879 ( 3.761 -4.518 2.091) 6.239 37.506 ( -0.655 7.463 -2.791) 7.995 37.621 ( 0.328 -2.593 -1.863) 3.210 37.838 ( -6.029 5.300 -0.310) 8.034 37.965 ( -7.396 -5.921 0.078) 9.474 39.182 ( 4.523 7.427 1.982) 8.919 39.381 ( 4.966 -10.442 9.621) 15.042 ======================= Grid point 83 (47/126) ======================= q-point: (-0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -16.071 16.140 16.238) 27.972 1.869 ( -13.158 -2.524 18.214) 22.611 2.176 ( -8.929 3.941 3.860) 10.496 2.526 ( -5.100 -18.583 5.778) 20.118 2.811 ( -2.869 4.118 -2.117) 5.447 2.850 ( 1.900 0.499 -3.333) 3.869 3.161 ( -0.827 5.684 2.850) 6.412 3.233 ( -1.757 -2.037 0.445) 2.727 3.390 ( -22.403 14.018 7.322) 27.423 3.645 ( -12.040 -4.854 3.830) 13.535 3.785 ( -0.145 7.922 2.904) 8.439 3.941 ( -0.627 -3.716 -0.207) 3.775 4.148 ( 3.605 2.004 7.499) 8.558 4.222 ( 4.540 -3.021 5.789) 7.953 4.416 ( -10.581 6.493 6.308) 13.925 4.597 ( -7.400 -8.110 4.244) 11.771 4.879 ( -2.729 10.309 0.540) 10.678 5.028 ( 3.103 6.081 -4.611) 8.239 5.104 ( -0.706 -7.313 -0.204) 7.349 5.161 ( -0.466 -3.451 0.328) 3.498 5.230 ( -0.778 6.860 -4.172) 8.066 5.432 ( -0.564 -8.631 -6.851) 11.034 5.473 ( -7.364 5.699 1.213) 9.390 5.589 ( -0.381 -3.443 -2.507) 4.276 5.711 ( -10.001 2.646 1.173) 10.411 5.959 ( -8.136 -15.176 3.967) 17.671 6.176 ( -4.748 1.779 -2.622) 5.709 6.224 ( -6.006 -1.103 0.422) 6.121 6.330 ( -2.506 -0.893 -5.712) 6.301 6.384 ( -5.599 -4.235 -6.509) 9.573 6.595 ( -1.000 4.043 -10.114) 10.938 6.628 ( -2.093 -0.055 -6.818) 7.132 6.902 ( 1.019 5.943 0.502) 6.051 7.024 ( 3.374 -5.713 -3.792) 7.642 7.214 ( 3.616 7.745 -0.634) 8.571 7.382 ( 1.320 -5.539 -1.015) 5.784 7.528 ( 3.130 4.351 -0.437) 5.378 7.572 ( 0.920 0.661 5.865) 5.974 7.803 ( 1.604 -0.422 -4.061) 4.386 7.927 ( 3.435 -7.700 4.152) 9.398 8.041 ( -6.762 6.757 2.593) 9.904 8.161 ( -2.993 -3.237 3.326) 5.522 8.337 ( -0.601 1.980 1.711) 2.685 8.396 ( -1.761 -1.731 4.136) 4.817 8.640 ( 0.546 2.101 0.746) 2.295 8.698 ( 1.307 -3.275 4.019) 5.347 9.217 ( 14.151 23.570 -8.687) 28.832 9.725 ( 16.487 -22.454 -7.670) 28.894 16.666 ( 3.894 4.446 -0.814) 5.966 16.746 ( 3.323 -1.433 -0.306) 3.632 16.842 ( 0.948 -1.527 -0.078) 1.799 16.861 ( 1.634 -3.216 -0.201) 3.613 17.371 ( -3.770 1.661 0.554) 4.156 17.403 ( -3.967 -1.388 0.715) 4.263 17.667 ( -6.717 3.357 -1.554) 7.668 17.730 ( -6.515 -2.163 -2.161) 7.196 22.353 ( -0.144 0.290 -0.450) 0.554 22.357 ( -0.242 -0.071 -0.774) 0.814 22.500 ( -0.169 0.016 0.398) 0.432 22.501 ( -0.252 -0.103 0.211) 0.344 27.257 ( 0.409 1.781 -0.424) 1.876 27.299 ( 1.006 -1.523 -0.161) 1.833 27.349 ( 0.012 1.386 0.762) 1.582 27.388 ( 0.180 -1.594 1.401) 2.129 36.850 ( 2.550 3.838 2.051) 5.043 36.946 ( 2.556 -4.374 1.500) 5.284 37.453 ( -4.436 7.359 -2.138) 8.855 37.586 ( -4.719 -4.585 0.067) 6.581 37.736 ( -3.753 4.909 -0.415) 6.193 37.847 ( -4.121 -4.963 0.015) 6.451 39.268 ( 3.984 8.477 -1.979) 9.573 39.499 ( 3.858 -12.864 6.964) 15.129 ======================= Grid point 84 (48/126) ======================= q-point: (-0.10 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -11.795 19.832 16.803) 28.544 1.717 ( -9.020 1.608 15.781) 18.248 1.995 ( -13.912 3.326 8.824) 16.807 2.412 ( -9.615 -20.841 8.023) 24.314 2.705 ( -7.508 21.592 8.129) 24.263 2.904 ( 3.807 -0.558 -0.168) 3.852 3.053 ( -9.188 10.416 1.671) 13.989 3.184 ( -0.828 1.729 2.888) 3.466 3.208 ( -0.971 -0.496 0.605) 1.247 3.414 ( -11.925 -13.381 4.422) 18.461 3.762 ( -1.903 8.895 -1.847) 9.282 3.903 ( -1.560 -1.666 -5.750) 6.187 4.157 ( -9.433 0.496 3.760) 10.167 4.180 ( -2.439 -3.136 3.959) 5.608 4.433 ( 5.962 3.082 5.032) 8.389 4.503 ( -1.844 -2.663 2.516) 4.101 4.877 ( 1.480 10.185 0.033) 10.292 5.005 ( -2.162 5.674 -8.986) 10.845 5.092 ( 0.116 -7.791 -3.002) 8.350 5.128 ( -6.085 -1.425 -6.121) 8.748 5.234 ( -0.723 8.501 -3.747) 9.318 5.350 ( -1.024 1.715 3.438) 3.976 5.422 ( -0.631 2.532 -0.712) 2.705 5.542 ( -1.915 -3.810 -1.694) 4.589 5.663 ( 2.485 -5.816 -0.955) 6.396 5.830 ( -4.962 -15.996 1.701) 16.834 6.064 ( -4.643 1.693 -3.875) 6.280 6.132 ( -4.287 -4.204 0.649) 6.040 6.282 ( 0.516 0.668 -3.688) 3.784 6.295 ( -0.594 -0.919 -6.261) 6.356 6.558 ( 0.132 0.650 -2.068) 2.172 6.582 ( -1.437 -1.800 0.850) 2.455 6.963 ( 3.576 5.965 2.782) 7.491 7.079 ( 4.152 -5.171 -3.679) 7.584 7.268 ( 1.940 5.809 -1.675) 6.349 7.385 ( -0.688 -4.603 -0.215) 4.659 7.549 ( -0.621 3.692 -2.737) 4.638 7.591 ( -1.331 1.034 2.707) 3.189 7.783 ( 0.138 3.664 -3.587) 5.129 7.886 ( -6.028 1.285 2.972) 6.843 7.998 ( -0.921 -1.039 5.881) 6.043 8.125 ( -2.325 -6.501 2.520) 7.350 8.361 ( 2.272 2.789 -0.603) 3.648 8.416 ( 1.804 -0.807 0.788) 2.128 8.658 ( 1.218 2.499 1.936) 3.387 8.747 ( 1.026 -5.249 8.822) 10.317 9.456 ( 12.680 24.433 -6.723) 28.336 9.977 ( 11.939 -23.343 -5.373) 26.764 16.747 ( 4.751 5.338 -1.510) 7.304 16.792 ( 1.486 1.913 -0.419) 2.458 16.860 ( 0.719 -2.015 0.043) 2.140 16.898 ( 1.883 -4.503 -0.205) 4.885 17.308 ( -2.507 0.945 -0.261) 2.692 17.331 ( -3.394 -1.235 0.151) 3.615 17.539 ( -5.923 2.888 -1.091) 6.680 17.607 ( -5.248 -3.114 -1.785) 6.358 22.351 ( 0.160 0.534 -0.073) 0.562 22.363 ( 0.914 -0.549 0.982) 1.449 22.500 ( 0.023 0.042 0.457) 0.460 22.501 ( 0.027 -0.093 0.732) 0.738 27.261 ( 0.248 2.373 -0.181) 2.393 27.315 ( 0.805 -1.875 -0.321) 2.066 27.349 ( -0.349 1.204 0.392) 1.313 27.387 ( -0.698 -1.654 0.680) 1.920 36.909 ( 3.368 3.963 0.789) 5.261 36.990 ( 2.123 -2.983 0.058) 3.662 37.330 ( -7.448 5.375 -0.076) 9.185 37.442 ( -9.897 -5.033 2.076) 11.296 37.709 ( 0.614 4.499 -0.394) 4.558 37.815 ( -0.088 -4.952 1.386) 5.143 39.284 ( -1.124 10.881 -10.164) 14.932 39.540 ( -1.670 -13.343 -1.240) 13.504 ======================= Grid point 105 (49/126) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -11.498 0.000 23.517) 26.178 1.262 ( -8.803 0.000 28.737) 30.055 2.195 ( -6.126 0.000 41.376) 41.827 2.591 ( 6.010 0.000 -4.042) 7.243 2.736 ( -1.860 0.000 0.590) 1.952 2.916 ( -7.297 0.000 3.691) 8.177 3.033 ( 0.905 0.000 -8.655) 8.702 3.167 ( -1.042 0.000 10.286) 10.339 3.232 ( -0.772 0.000 5.120) 5.178 3.398 ( 1.390 0.000 4.654) 4.857 3.504 ( 1.489 0.000 1.935) 2.442 3.638 ( -1.906 0.000 -7.023) 7.277 4.127 ( -0.765 0.000 -7.209) 7.249 4.325 ( -9.110 0.000 -0.088) 9.111 4.368 ( -3.028 0.000 2.026) 3.644 4.562 ( -7.304 0.000 14.625) 16.348 4.609 ( -1.718 0.000 -1.891) 2.555 4.788 ( 3.249 0.000 3.152) 4.526 4.808 ( -5.972 0.000 -10.112) 11.743 4.919 ( 6.174 0.000 0.536) 6.197 5.079 ( -4.108 0.000 5.526) 6.886 5.168 ( 0.284 0.000 -13.596) 13.599 5.449 ( 3.690 0.000 5.027) 6.236 5.599 ( 3.784 0.000 -2.989) 4.822 5.727 ( 7.470 0.000 -0.740) 7.506 6.028 ( 6.873 0.000 -1.731) 7.087 6.219 ( -4.935 0.000 -0.004) 4.935 6.319 ( -1.556 0.000 -3.091) 3.460 6.366 ( 3.043 0.000 3.806) 4.873 6.542 ( 7.662 0.000 0.153) 7.663 6.634 ( 4.893 0.000 -0.826) 4.963 6.905 ( -5.741 0.000 8.693) 10.418 6.966 ( -3.461 0.000 -9.613) 10.218 6.984 ( 20.123 0.000 0.471) 20.129 7.180 ( -3.672 0.000 0.236) 3.680 7.276 ( 1.189 0.000 -2.570) 2.832 7.327 ( -4.487 0.000 -5.289) 6.936 7.387 ( 10.445 0.000 -15.970) 19.083 7.818 ( -5.238 0.000 4.662) 7.012 8.059 ( 4.372 0.000 2.162) 4.877 8.100 ( -7.670 0.000 7.487) 10.718 8.255 ( 6.139 0.000 1.960) 6.444 8.265 ( 1.520 0.000 -2.876) 3.253 8.315 ( -1.644 0.000 -3.213) 3.609 8.616 ( 3.995 0.000 -3.878) 5.567 8.656 ( 7.815 0.000 -7.030) 10.512 9.408 ( -0.763 0.000 16.956) 16.973 10.636 ( -11.465 0.000 -9.840) 15.109 16.625 ( 1.511 0.000 -0.362) 1.554 16.682 ( 0.380 0.000 -0.837) 0.919 16.923 ( -0.588 0.000 0.077) 0.593 16.974 ( 0.259 0.000 -0.354) 0.439 17.270 ( -3.486 0.000 -0.991) 3.624 17.274 ( 2.886 0.000 -0.806) 2.996 17.430 ( -1.028 0.000 1.838) 2.106 17.592 ( 0.002 0.000 -2.909) 2.909 22.348 ( 0.387 0.000 0.877) 0.958 22.470 ( -0.278 0.000 -1.317) 1.346 22.530 ( -0.582 0.000 1.513) 1.621 22.655 ( 8.031 0.000 -1.020) 8.095 27.210 ( -0.460 0.000 0.643) 0.791 27.270 ( -0.069 0.000 -0.801) 0.804 27.406 ( -1.352 0.000 0.307) 1.386 27.418 ( 0.979 0.000 -0.089) 0.983 36.877 ( -2.109 0.000 0.591) 2.191 36.896 ( 0.893 0.000 0.413) 0.984 37.112 ( -2.346 0.000 0.870) 2.503 37.509 ( -9.119 0.000 -5.059) 10.428 37.695 ( -3.338 0.000 5.769) 6.665 37.814 ( -16.309 0.000 2.500) 16.499 38.165 ( 2.176 0.000 11.306) 11.513 39.508 ( -12.981 0.000 -15.252) 20.029 ======================= Grid point 106 (50/126) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 4.352 0.000 15.308) 15.914 1.431 ( 16.017 0.000 21.549) 26.850 2.361 ( 6.489 0.000 36.311) 36.886 2.679 ( -3.802 0.000 3.668) 5.283 2.723 ( 6.674 0.000 5.144) 8.426 2.861 ( 1.881 0.000 -2.356) 3.014 3.067 ( 4.031 0.000 -7.746) 8.732 3.219 ( 3.746 0.000 7.656) 8.523 3.231 ( 0.364 0.000 2.697) 2.721 3.458 ( 3.638 0.000 5.588) 6.668 3.571 ( 5.308 0.000 -3.565) 6.394 3.690 ( 5.093 0.000 4.659) 6.902 3.999 ( -10.454 0.000 -4.822) 11.513 4.177 ( -5.243 0.000 -1.179) 5.374 4.364 ( 2.548 0.000 -0.791) 2.668 4.491 ( -4.414 0.000 15.287) 15.911 4.638 ( 5.594 0.000 -4.585) 7.232 4.754 ( 1.505 0.000 -0.911) 1.759 4.851 ( 1.473 0.000 7.866) 8.002 4.889 ( 0.113 0.000 -1.743) 1.747 5.141 ( 2.672 0.000 -15.653) 15.880 5.205 ( 8.707 0.000 -2.040) 8.943 5.599 ( 7.432 0.000 5.800) 9.427 5.614 ( -1.419 0.000 -5.952) 6.119 5.816 ( 2.323 0.000 2.600) 3.486 6.160 ( 5.960 0.000 -3.961) 7.156 6.167 ( -2.097 0.000 2.904) 3.582 6.330 ( 4.834 0.000 -3.078) 5.731 6.402 ( 1.896 0.000 -4.698) 5.067 6.548 ( -12.594 0.000 4.667) 13.431 6.693 ( 4.094 0.000 0.294) 4.105 6.869 ( 12.556 0.000 -0.457) 12.565 7.016 ( 5.649 0.000 -10.472) 11.899 7.143 ( -4.887 0.000 -5.371) 7.261 7.143 ( 0.237 0.000 2.047) 2.060 7.288 ( 1.190 0.000 -2.245) 2.541 7.353 ( 7.388 0.000 -0.873) 7.439 7.563 ( 13.977 0.000 -15.662) 20.992 7.671 ( -9.891 0.000 2.463) 10.193 7.961 ( -9.853 0.000 6.411) 11.755 8.130 ( 2.114 0.000 1.685) 2.704 8.270 ( -0.686 0.000 -2.051) 2.162 8.300 ( 1.863 0.000 -4.910) 5.252 8.423 ( 6.574 0.000 0.330) 6.582 8.647 ( 0.354 0.000 -1.748) 1.784 8.712 ( 0.176 0.000 -4.125) 4.129 9.383 ( -8.101 0.000 17.052) 18.878 10.285 ( -17.587 0.000 -4.850) 18.243 16.660 ( 2.098 0.000 -0.056) 2.099 16.681 ( -0.426 0.000 -0.510) 0.665 16.903 ( -1.475 0.000 -0.689) 1.628 16.967 ( -0.778 0.000 -0.376) 0.864 17.270 ( 3.462 0.000 -1.745) 3.877 17.333 ( 2.856 0.000 0.271) 2.869 17.439 ( 1.409 0.000 1.655) 2.173 17.607 ( 3.035 0.000 -2.909) 4.204 22.357 ( 0.252 0.000 0.855) 0.892 22.455 ( -0.766 0.000 -1.448) 1.638 22.523 ( -0.561 0.000 0.939) 1.094 22.733 ( 0.861 0.000 -1.674) 1.882 27.209 ( 0.061 0.000 0.512) 0.516 27.260 ( -0.595 0.000 -0.566) 0.821 27.369 ( -2.709 0.000 0.071) 2.709 27.430 ( 0.175 0.000 0.227) 0.287 36.803 ( -4.280 0.000 -0.138) 4.283 36.939 ( 3.701 0.000 -0.149) 3.704 37.076 ( -2.240 0.000 1.465) 2.677 37.409 ( 7.968 0.000 0.008) 7.968 37.696 ( 0.657 0.000 6.222) 6.257 37.848 ( 8.306 0.000 4.056) 9.243 38.246 ( 2.116 0.000 13.020) 13.191 39.217 ( -12.569 0.000 -13.273) 18.280 ======================= Grid point 107 (51/126) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 13.259 0.000 3.450) 13.701 1.885 ( 22.950 0.000 12.288) 26.033 2.607 ( 6.118 0.000 27.030) 27.713 2.675 ( 1.973 0.000 8.025) 8.264 2.844 ( 3.992 0.000 2.530) 4.726 2.941 ( 6.224 0.000 -4.490) 7.675 3.076 ( -0.646 0.000 -4.318) 4.366 3.328 ( 3.610 0.000 0.813) 3.700 3.345 ( 10.582 0.000 6.885) 12.624 3.569 ( 4.500 0.000 6.641) 8.022 3.664 ( 0.826 0.000 3.491) 3.587 3.746 ( 1.842 0.000 6.745) 6.992 3.804 ( -6.656 0.000 2.340) 7.055 4.112 ( -1.247 0.000 0.872) 1.521 4.431 ( 4.716 0.000 1.440) 4.931 4.579 ( 7.678 0.000 9.300) 12.060 4.747 ( 6.496 0.000 -6.315) 9.060 4.818 ( 4.798 0.000 2.415) 5.372 4.887 ( 3.155 0.000 4.405) 5.418 5.014 ( 10.653 0.000 -0.289) 10.657 5.173 ( 6.736 0.000 -12.095) 13.844 5.339 ( 5.730 0.000 -0.094) 5.731 5.510 ( -5.976 0.000 -8.172) 10.124 5.729 ( 5.601 0.000 3.230) 6.466 5.839 ( -2.356 0.000 6.302) 6.728 6.100 ( -5.758 0.000 -0.596) 5.789 6.190 ( -1.021 0.000 -2.422) 2.629 6.301 ( -9.691 0.000 1.334) 9.782 6.467 ( 6.369 0.000 -4.732) 7.935 6.477 ( 9.134 0.000 -8.160) 12.248 6.808 ( 7.669 0.000 0.341) 7.676 7.007 ( -5.757 0.000 -6.277) 8.518 7.075 ( 5.779 0.000 -17.150) 18.097 7.095 ( 5.384 0.000 0.031) 5.385 7.283 ( -1.611 0.000 -3.007) 3.411 7.300 ( 17.702 0.000 7.293) 19.145 7.384 ( -4.769 0.000 5.811) 7.518 7.520 ( -4.212 0.000 -1.850) 4.600 7.777 ( -11.313 0.000 3.363) 11.802 7.797 ( 16.307 0.000 -14.125) 21.574 8.154 ( -0.111 0.000 0.936) 0.942 8.240 ( -2.160 0.000 -1.323) 2.533 8.315 ( 1.425 0.000 -5.503) 5.685 8.390 ( -11.233 0.000 9.283) 14.572 8.617 ( -3.411 0.000 0.865) 3.519 8.641 ( -6.079 0.000 -1.612) 6.290 9.245 ( -11.837 0.000 14.472) 18.697 10.041 ( -6.542 0.000 -9.291) 11.363 16.673 ( 0.058 0.000 -0.324) 0.329 16.693 ( 0.961 0.000 0.719) 1.200 16.870 ( -1.360 0.000 -1.146) 1.779 16.948 ( -0.783 0.000 -0.824) 1.136 17.341 ( 3.980 0.000 -2.414) 4.655 17.373 ( 1.259 0.000 1.066) 1.649 17.500 ( 4.543 0.000 0.807) 4.614 17.686 ( 5.908 0.000 -2.776) 6.528 22.362 ( -0.058 0.000 0.566) 0.569 22.433 ( -0.952 0.000 -1.502) 1.778 22.517 ( -0.290 0.000 0.386) 0.483 22.707 ( -2.581 0.000 0.254) 2.594 27.215 ( 0.472 0.000 0.208) 0.516 27.249 ( -0.389 0.000 -0.076) 0.397 27.314 ( -2.845 0.000 0.171) 2.850 27.423 ( -1.053 0.000 0.295) 1.093 36.745 ( -1.729 0.000 -2.000) 2.643 37.001 ( 0.292 0.000 -4.466) 4.475 37.055 ( 1.754 0.000 5.518) 5.790 37.705 ( 20.909 0.000 -7.790) 22.312 37.745 ( 1.642 0.000 6.832) 7.027 38.040 ( 8.718 0.000 5.804) 10.473 38.349 ( 3.693 0.000 14.391) 14.857 38.959 ( -8.576 0.000 -12.950) 15.532 ======================= Grid point 108 (52/126) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 16.060 0.000 -1.782) 16.159 2.330 ( 19.529 0.000 9.656) 21.786 2.765 ( 0.920 0.000 15.229) 15.257 2.798 ( 6.002 0.000 11.617) 13.076 2.905 ( 4.616 0.000 4.239) 6.267 3.029 ( -1.833 0.000 -4.181) 4.565 3.042 ( 5.047 0.000 -2.341) 5.563 3.323 ( -2.383 0.000 -2.038) 3.136 3.454 ( -7.421 0.000 -0.016) 7.421 3.596 ( -3.075 0.000 2.757) 4.130 3.679 ( 5.727 0.000 11.331) 12.696 3.840 ( 5.271 0.000 13.071) 14.094 3.901 ( 7.441 0.000 10.166) 12.598 4.142 ( 2.871 0.000 2.865) 4.055 4.588 ( 10.909 0.000 1.185) 10.973 4.752 ( 7.622 0.000 8.719) 11.581 4.817 ( 3.810 0.000 -0.735) 3.880 4.944 ( 7.069 0.000 -0.477) 7.086 5.020 ( 9.240 0.000 2.472) 9.565 5.208 ( 6.981 0.000 -1.935) 7.244 5.316 ( 8.063 0.000 -5.270) 9.633 5.367 ( -1.813 0.000 -10.625) 10.778 5.413 ( 3.100 0.000 1.100) 3.289 5.760 ( -7.457 0.000 4.791) 8.863 5.885 ( 10.766 0.000 0.537) 10.779 5.981 ( -5.409 0.000 -3.006) 6.188 6.079 ( -6.107 0.000 -2.236) 6.503 6.258 ( 1.770 0.000 -1.324) 2.210 6.549 ( 2.631 0.000 -0.503) 2.679 6.586 ( 4.915 0.000 -10.416) 11.517 6.875 ( -2.714 0.000 -5.318) 5.970 6.922 ( -4.073 0.000 -0.675) 4.128 7.068 ( -0.146 0.000 -11.800) 11.801 7.193 ( 5.048 0.000 0.128) 5.049 7.223 ( 2.126 0.000 -8.105) 8.379 7.346 ( -1.603 0.000 9.301) 9.438 7.501 ( 4.155 0.000 -2.923) 5.080 7.572 ( -10.623 0.000 0.678) 10.645 7.688 ( 17.796 0.000 2.118) 17.922 8.042 ( 9.977 0.000 -8.275) 12.962 8.127 ( -6.782 0.000 5.517) 8.742 8.161 ( -10.928 0.000 6.436) 12.682 8.177 ( -0.809 0.000 -1.508) 1.711 8.319 ( 1.604 0.000 -6.108) 6.315 8.509 ( -5.820 0.000 -2.020) 6.161 8.530 ( -6.520 0.000 4.483) 7.912 9.074 ( -10.296 0.000 9.760) 14.187 9.887 ( -8.202 0.000 -9.299) 12.399 16.687 ( 1.708 0.000 -0.644) 1.826 16.693 ( -1.330 0.000 1.561) 2.051 16.849 ( -0.381 0.000 -1.428) 1.478 16.937 ( -0.010 0.000 -1.361) 1.361 17.395 ( 0.758 0.000 1.023) 1.273 17.395 ( 2.834 0.000 -2.146) 3.555 17.601 ( 5.416 0.000 0.321) 5.425 17.787 ( 5.432 0.000 -2.500) 5.980 22.361 ( -0.176 0.000 0.217) 0.279 22.410 ( -0.926 0.000 -1.462) 1.731 22.514 ( -0.122 0.000 0.016) 0.123 22.655 ( -2.857 0.000 0.792) 2.964 27.226 ( 0.519 0.000 0.106) 0.530 27.248 ( 0.304 0.000 0.386) 0.491 27.277 ( -0.821 0.000 -0.005) 0.821 27.392 ( -2.259 0.000 0.145) 2.264 36.718 ( -0.159 0.000 -3.056) 3.061 36.942 ( -3.695 0.000 -1.402) 3.952 37.146 ( 4.429 0.000 2.627) 5.150 37.799 ( 1.527 0.000 6.531) 6.707 37.988 ( 4.709 0.000 -0.696) 4.760 38.195 ( 11.128 0.000 -5.741) 12.522 38.477 ( 3.734 0.000 14.975) 15.433 38.880 ( 5.833 0.000 -9.005) 10.729 ======================= Grid point 109 (53/126) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 14.344 0.000 -1.439) 14.416 2.657 ( 7.909 0.000 10.937) 13.497 2.759 ( -0.377 0.000 0.561) 0.676 2.903 ( -0.561 0.000 9.167) 9.184 3.029 ( 3.269 0.000 -0.745) 3.352 3.045 ( 2.254 0.000 9.850) 10.105 3.113 ( 2.995 0.000 -2.786) 4.091 3.284 ( -0.417 0.000 -0.919) 1.009 3.286 ( -5.219 0.000 11.896) 12.990 3.531 ( -4.014 0.000 4.744) 6.214 3.822 ( 4.575 0.000 6.415) 7.879 3.988 ( 4.001 0.000 12.652) 13.270 4.007 ( 0.645 0.000 6.290) 6.323 4.205 ( 2.532 0.000 4.371) 5.051 4.742 ( 2.563 0.000 5.454) 6.026 4.908 ( 4.125 0.000 2.015) 4.591 4.979 ( 10.741 0.000 9.536) 14.363 5.048 ( 3.203 0.000 1.476) 3.527 5.176 ( -0.925 0.000 -6.049) 6.119 5.213 ( -5.421 0.000 0.252) 5.426 5.265 ( 10.745 0.000 -0.608) 10.762 5.516 ( 6.879 0.000 -0.160) 6.881 5.582 ( 16.837 0.000 -14.220) 22.038 5.654 ( -2.677 0.000 0.615) 2.747 5.865 ( -4.897 0.000 -3.187) 5.843 6.006 ( -0.367 0.000 -4.066) 4.083 6.119 ( 11.509 0.000 1.466) 11.602 6.282 ( 0.671 0.000 -1.174) 1.352 6.543 ( -4.289 0.000 -1.006) 4.406 6.574 ( -2.149 0.000 -8.566) 8.831 6.756 ( -7.381 0.000 -4.868) 8.841 6.811 ( -1.826 0.000 -5.977) 6.250 6.998 ( -3.124 0.000 -9.175) 9.692 7.209 ( -8.286 0.000 10.812) 13.622 7.269 ( 1.706 0.000 -0.446) 1.763 7.357 ( 3.169 0.000 -1.228) 3.399 7.394 ( -6.836 0.000 -1.692) 7.042 7.716 ( 12.840 0.000 -2.134) 13.016 7.832 ( -6.325 0.000 2.002) 6.635 7.936 ( -6.942 0.000 8.501) 10.975 7.996 ( -4.046 0.000 -0.032) 4.046 8.108 ( 0.048 0.000 -6.028) 6.028 8.345 ( 12.260 0.000 -4.369) 13.015 8.378 ( 8.305 0.000 -6.485) 10.537 8.438 ( -3.679 0.000 8.599) 9.353 8.455 ( 1.434 0.000 -4.725) 4.938 8.938 ( -7.067 0.000 5.133) 8.734 9.637 ( -15.563 0.000 -5.186) 16.404 16.664 ( -2.075 0.000 1.936) 2.838 16.731 ( 3.031 0.000 -0.745) 3.121 16.844 ( 0.248 0.000 -1.565) 1.584 16.930 ( -0.271 0.000 -1.796) 1.816 17.406 ( -0.034 0.000 0.529) 0.530 17.436 ( 2.360 0.000 -1.941) 3.056 17.690 ( 3.616 0.000 0.579) 3.662 17.860 ( 3.042 0.000 -2.391) 3.869 22.358 ( -0.121 0.000 -0.025) 0.124 22.389 ( -0.776 0.000 -1.377) 1.581 22.512 ( -0.111 0.000 -0.101) 0.150 22.608 ( -2.443 0.000 0.503) 2.495 27.237 ( 0.639 0.000 0.508) 0.817 27.260 ( 0.639 0.000 0.575) 0.860 27.283 ( 1.312 0.000 -0.371) 1.363 27.345 ( -2.479 0.000 -0.190) 2.486 36.722 ( 1.932 0.000 -3.638) 4.119 36.872 ( -2.967 0.000 -1.220) 3.208 37.227 ( 3.088 0.000 3.313) 4.528 37.845 ( 0.838 0.000 5.398) 5.463 37.886 ( -10.699 0.000 2.776) 11.053 38.432 ( 14.620 0.000 -13.226) 19.715 38.574 ( 0.382 0.000 14.404) 14.409 39.069 ( 14.181 0.000 -2.166) 14.346 ======================= Grid point 110 (54/126) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 9.153 0.000 -0.006) 9.153 2.552 ( -14.403 0.000 4.736) 15.161 2.856 ( 0.025 0.000 0.399) 0.400 2.860 ( -7.596 0.000 7.754) 10.855 3.000 ( -2.802 0.000 5.527) 6.196 3.081 ( 2.273 0.000 0.031) 2.273 3.165 ( 4.497 0.000 9.810) 10.792 3.300 ( 1.360 0.000 0.779) 1.568 3.442 ( 9.158 0.000 10.297) 13.780 3.518 ( 0.296 0.000 7.473) 7.479 3.869 ( -2.264 0.000 8.554) 8.848 4.024 ( 0.841 0.000 1.934) 2.109 4.061 ( 0.519 0.000 8.996) 9.011 4.284 ( 3.288 0.000 7.234) 7.946 4.723 ( -6.472 0.000 3.828) 7.519 4.885 ( -5.331 0.000 -3.289) 6.264 5.055 ( -5.301 0.000 -0.532) 5.328 5.093 ( 0.370 0.000 4.354) 4.370 5.144 ( 0.266 0.000 10.120) 10.124 5.202 ( 2.354 0.000 5.646) 6.117 5.437 ( 3.427 0.000 -10.566) 11.108 5.641 ( 3.876 0.000 -0.365) 3.893 5.677 ( 4.669 0.000 1.003) 4.775 5.819 ( 11.621 0.000 -19.852) 23.003 5.866 ( 10.474 0.000 0.852) 10.509 6.036 ( 5.065 0.000 -2.967) 5.870 6.276 ( 3.122 0.000 0.424) 3.150 6.279 ( 1.000 0.000 -3.368) 3.513 6.391 ( -6.927 0.000 -6.205) 9.299 6.484 ( -4.280 0.000 -3.008) 5.231 6.653 ( -3.611 0.000 -5.812) 6.842 6.768 ( -2.154 0.000 -2.242) 3.109 6.890 ( -4.413 0.000 -7.304) 8.533 7.008 ( -15.659 0.000 15.835) 22.270 7.169 ( -7.902 0.000 -7.442) 10.855 7.376 ( 1.289 0.000 3.316) 3.558 7.480 ( 10.016 0.000 -3.704) 10.679 7.636 ( -11.358 0.000 -0.047) 11.358 7.691 ( -7.799 0.000 7.906) 11.105 7.911 ( -3.479 0.000 -4.096) 5.374 7.961 ( -1.705 0.000 1.297) 2.142 8.140 ( 2.951 0.000 -3.982) 4.956 8.500 ( 5.185 0.000 -6.146) 8.041 8.509 ( 6.892 0.000 -9.535) 11.765 8.539 ( 6.834 0.000 6.218) 9.240 8.605 ( 21.650 0.000 1.279) 21.688 8.834 ( -5.820 0.000 2.498) 6.333 9.282 ( -20.201 0.000 -1.305) 20.243 16.636 ( -1.570 0.000 1.884) 2.452 16.790 ( 3.275 0.000 -0.453) 3.306 16.843 ( 0.151 0.000 -1.524) 1.531 16.913 ( -0.642 0.000 -2.284) 2.372 17.393 ( -1.444 0.000 -0.001) 1.444 17.469 ( 1.723 0.000 -1.687) 2.412 17.734 ( 0.755 0.000 0.960) 1.222 17.881 ( 0.125 0.000 -2.513) 2.516 22.356 ( -0.134 0.000 -0.169) 0.216 22.371 ( -0.618 0.000 -1.251) 1.395 22.510 ( -0.066 0.000 0.120) 0.138 22.567 ( -1.936 0.000 0.117) 1.939 27.254 ( 0.876 0.000 0.730) 1.140 27.261 ( -1.141 0.000 0.423) 1.217 27.317 ( 2.290 0.000 -0.157) 2.296 27.317 ( 0.142 0.000 -0.587) 0.604 36.763 ( 3.668 0.000 -3.748) 5.244 36.828 ( -0.982 0.000 -1.790) 2.042 37.292 ( 2.375 0.000 5.085) 5.612 37.696 ( -9.291 0.000 1.044) 9.349 37.861 ( -0.983 0.000 4.085) 4.202 38.580 ( -5.119 0.000 12.899) 13.877 38.619 ( 10.226 0.000 -12.505) 16.154 39.344 ( 14.536 0.000 0.811) 14.559 ======================= Grid point 111 (55/126) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 1.866 0.000 1.453) 2.365 2.241 ( -20.487 0.000 11.742) 23.614 2.693 ( -11.062 0.000 9.204) 14.391 2.764 ( -4.932 0.000 -10.102) 11.242 3.014 ( -0.404 0.000 6.429) 6.441 3.115 ( 0.765 0.000 0.776) 1.090 3.320 ( 0.233 0.000 0.013) 0.234 3.328 ( 5.388 0.000 18.649) 19.412 3.525 ( -3.403 0.000 -0.174) 3.407 3.541 ( -2.239 0.000 6.224) 6.615 3.890 ( 1.644 0.000 10.298) 10.428 4.041 ( -0.374 0.000 5.043) 5.057 4.124 ( 3.427 0.000 9.610) 10.203 4.354 ( 0.970 0.000 6.806) 6.875 4.544 ( -12.529 0.000 0.122) 12.530 4.807 ( 0.870 0.000 -5.435) 5.504 4.938 ( -6.631 0.000 0.092) 6.631 5.074 ( -3.677 0.000 2.846) 4.650 5.107 ( -8.131 0.000 6.807) 10.604 5.273 ( 1.970 0.000 3.843) 4.319 5.349 ( -6.868 0.000 -4.945) 8.463 5.684 ( 0.663 0.000 4.567) 4.615 5.760 ( 2.775 0.000 -6.997) 7.527 5.853 ( -0.143 0.000 -3.440) 3.443 6.064 ( 2.432 0.000 -9.277) 9.590 6.120 ( 1.391 0.000 -4.724) 4.925 6.266 ( -8.850 0.000 2.671) 9.244 6.314 ( 7.447 0.000 -1.162) 7.537 6.337 ( 4.640 0.000 -7.591) 8.897 6.390 ( -2.794 0.000 0.903) 2.936 6.532 ( -7.213 0.000 -10.200) 12.492 6.668 ( -4.038 0.000 9.753) 10.556 6.862 ( 6.099 0.000 -6.606) 8.991 6.879 ( -2.463 0.000 6.205) 6.676 6.982 ( -7.900 0.000 -11.200) 13.706 7.339 ( -8.487 0.000 1.950) 8.708 7.505 ( 0.243 0.000 -2.828) 2.838 7.568 ( -5.226 0.000 8.836) 10.266 7.676 ( 6.775 0.000 -8.937) 11.215 7.874 ( 1.929 0.000 -5.503) 5.832 7.931 ( 1.191 0.000 2.089) 2.405 8.159 ( -0.249 0.000 4.818) 4.824 8.529 ( -0.513 0.000 -5.446) 5.470 8.577 ( 1.745 0.000 -5.310) 5.590 8.666 ( 5.828 0.000 7.984) 9.885 8.730 ( -6.198 0.000 2.438) 6.661 8.897 ( -19.121 0.000 0.923) 19.144 9.126 ( 31.005 0.000 -5.756) 31.535 16.620 ( -0.870 0.000 1.450) 1.691 16.831 ( -0.290 0.000 -0.777) 0.830 16.848 ( 2.350 0.000 -0.645) 2.436 16.896 ( -0.076 0.000 -2.614) 2.615 17.354 ( -2.489 0.000 -0.283) 2.505 17.486 ( 0.515 0.000 -1.375) 1.468 17.725 ( -2.021 0.000 1.088) 2.295 17.848 ( -2.581 0.000 -2.862) 3.854 22.351 ( -0.282 0.000 -0.237) 0.368 22.357 ( -0.454 0.000 -0.952) 1.054 22.512 ( 0.097 0.000 0.666) 0.673 22.536 ( -1.375 0.000 -0.093) 1.378 27.238 ( -0.878 0.000 0.052) 0.879 27.268 ( 0.138 0.000 0.609) 0.625 27.332 ( 1.282 0.000 -0.887) 1.559 27.365 ( 2.684 0.000 0.498) 2.730 36.822 ( 1.098 0.000 -2.520) 2.749 36.823 ( 3.705 0.000 -3.096) 4.829 37.347 ( 0.846 0.000 6.665) 6.718 37.560 ( -5.099 0.000 -0.558) 5.130 37.845 ( -1.713 0.000 3.479) 3.878 38.473 ( -10.661 0.000 10.861) 15.219 38.734 ( 6.886 0.000 -12.280) 14.079 39.608 ( 13.147 0.000 0.351) 13.152 ======================= Grid point 112 (56/126) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -20.461 0.000 19.462) 28.239 2.102 ( -16.692 0.000 7.611) 18.345 2.627 ( 1.483 0.000 7.507) 7.652 2.632 ( -4.022 0.000 -14.108) 14.670 2.993 ( -5.386 0.000 3.404) 6.371 3.113 ( -0.688 0.000 -1.468) 1.621 3.301 ( -2.269 0.000 0.614) 2.351 3.313 ( -11.625 0.000 10.570) 15.712 3.467 ( -6.438 0.000 3.921) 7.538 3.528 ( 1.819 0.000 11.359) 11.504 3.853 ( -8.975 0.000 6.644) 11.167 4.127 ( 6.070 0.000 9.837) 11.558 4.210 ( -0.390 0.000 7.680) 7.690 4.276 ( -14.887 0.000 -2.656) 15.122 4.410 ( 4.668 0.000 6.329) 7.864 4.813 ( -6.624 0.000 0.156) 6.626 4.886 ( 7.189 0.000 -6.123) 9.443 4.912 ( -12.948 0.000 2.716) 13.230 4.983 ( -5.110 0.000 1.421) 5.304 5.182 ( -10.623 0.000 4.307) 11.463 5.286 ( -1.016 0.000 -0.185) 1.033 5.625 ( -10.142 0.000 0.213) 10.144 5.704 ( -4.486 0.000 -12.772) 13.537 5.845 ( -1.248 0.000 2.516) 2.809 5.985 ( -6.291 0.000 1.412) 6.448 6.009 ( -10.336 0.000 -2.026) 10.533 6.106 ( -3.420 0.000 6.167) 7.051 6.258 ( -1.686 0.000 -3.937) 4.283 6.329 ( -8.722 0.000 -10.880) 13.945 6.422 ( 3.116 0.000 -6.136) 6.882 6.552 ( 11.514 0.000 -2.659) 11.817 6.788 ( 2.014 0.000 4.408) 4.846 6.789 ( -7.729 0.000 -9.496) 12.244 6.928 ( 11.399 0.000 8.101) 13.984 7.030 ( 10.124 0.000 -9.557) 13.922 7.180 ( -5.349 0.000 -0.334) 5.360 7.503 ( -4.105 0.000 6.200) 7.436 7.530 ( 1.572 0.000 -2.693) 3.118 7.650 ( -4.375 0.000 -6.002) 7.428 7.951 ( 8.403 0.000 -5.961) 10.302 8.068 ( 9.485 0.000 -0.706) 9.511 8.176 ( -0.070 0.000 7.509) 7.509 8.461 ( -4.668 0.000 -2.401) 5.249 8.516 ( -5.817 0.000 -1.681) 6.055 8.587 ( -13.055 0.000 -0.382) 13.060 8.612 ( -7.006 0.000 1.854) 7.247 8.850 ( 9.900 0.000 8.856) 13.283 9.698 ( 31.485 0.000 -6.683) 32.186 16.611 ( -0.494 0.000 0.721) 0.874 16.808 ( -1.744 0.000 -0.918) 1.971 16.888 ( 1.768 0.000 -0.212) 1.780 16.898 ( 1.309 0.000 -2.428) 2.758 17.304 ( -2.556 0.000 -0.391) 2.585 17.476 ( -1.118 0.000 -0.977) 1.484 17.670 ( -4.121 0.000 0.650) 4.172 17.771 ( -4.096 0.000 -3.244) 5.225 22.344 ( -0.366 0.000 -0.133) 0.389 22.350 ( 0.114 0.000 -0.112) 0.160 22.515 ( -0.816 0.000 -0.137) 0.828 22.518 ( 0.214 0.000 1.309) 1.327 27.234 ( 0.461 0.000 -0.170) 0.491 27.263 ( -0.849 0.000 0.496) 0.983 27.353 ( 1.334 0.000 -1.155) 1.765 27.414 ( 1.951 0.000 0.845) 2.126 36.846 ( 2.188 0.000 -2.859) 3.600 36.870 ( 2.052 0.000 -1.704) 2.667 37.349 ( -3.518 0.000 6.027) 6.978 37.498 ( -1.135 0.000 -2.244) 2.515 37.849 ( 0.974 0.000 5.365) 5.452 38.272 ( -13.799 0.000 8.479) 16.195 38.790 ( 3.727 0.000 -13.905) 14.396 39.830 ( 10.716 0.000 -4.504) 11.624 ======================= Grid point 113 (57/126) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -17.082 0.000 25.197) 30.441 1.738 ( -24.360 0.000 15.143) 28.683 2.530 ( -1.347 0.000 -12.894) 12.964 2.714 ( 3.670 0.000 2.474) 4.426 2.758 ( -20.618 0.000 7.201) 21.839 3.087 ( -0.639 0.000 -3.674) 3.730 3.190 ( -5.231 0.000 10.870) 12.063 3.248 ( -3.978 0.000 3.866) 5.547 3.373 ( -4.154 0.000 4.111) 5.844 3.446 ( -16.141 0.000 16.957) 23.411 3.718 ( -7.261 0.000 3.396) 8.016 3.974 ( -12.682 0.000 -5.876) 13.977 4.180 ( -2.665 0.000 0.976) 2.838 4.317 ( 9.515 0.000 8.824) 12.977 4.516 ( 1.210 0.000 6.375) 6.488 4.642 ( -11.523 0.000 1.716) 11.650 4.743 ( -5.090 0.000 1.902) 5.433 4.818 ( -6.722 0.000 -1.740) 6.944 4.985 ( -12.814 0.000 10.730) 16.713 5.078 ( 8.711 0.000 -5.902) 10.522 5.246 ( -2.091 0.000 -6.873) 7.184 5.400 ( -9.534 0.000 -3.993) 10.337 5.518 ( -7.903 0.000 -7.574) 10.947 5.771 ( -10.234 0.000 -6.293) 12.014 5.816 ( -14.563 0.000 0.348) 14.567 5.869 ( 1.650 0.000 1.217) 2.050 6.152 ( 5.408 0.000 6.604) 8.536 6.215 ( 0.381 0.000 -1.041) 1.108 6.277 ( 3.620 0.000 -1.209) 3.817 6.438 ( -0.230 0.000 -4.661) 4.667 6.596 ( -7.384 0.000 -3.003) 7.972 6.748 ( -3.088 0.000 3.141) 4.405 6.748 ( 8.111 0.000 -9.710) 12.652 7.073 ( 2.581 0.000 -5.416) 6.000 7.214 ( 3.548 0.000 -0.837) 3.645 7.223 ( 10.316 0.000 3.754) 10.978 7.473 ( -0.534 0.000 3.114) 3.160 7.502 ( -4.567 0.000 -1.405) 4.778 7.561 ( -0.725 0.000 -0.459) 0.858 8.129 ( 11.304 0.000 -6.431) 13.005 8.145 ( -1.207 0.000 0.512) 1.311 8.223 ( -0.475 0.000 6.597) 6.615 8.346 ( -7.792 0.000 5.169) 9.351 8.410 ( -1.519 0.000 -7.719) 7.867 8.448 ( 0.997 0.000 -4.380) 4.493 8.486 ( -6.388 0.000 1.094) 6.481 9.083 ( 10.277 0.000 11.833) 15.673 10.242 ( 28.189 0.000 -7.436) 29.153 16.606 ( -0.190 0.000 0.049) 0.196 16.759 ( -2.984 0.000 -1.103) 3.182 16.914 ( 1.078 0.000 -0.095) 1.082 16.925 ( 2.197 0.000 -1.752) 2.811 17.261 ( -1.631 0.000 -0.643) 1.753 17.439 ( -2.490 0.000 -0.536) 2.547 17.578 ( -5.648 0.000 -0.342) 5.658 17.684 ( -3.595 0.000 -3.360) 4.920 22.338 ( -0.190 0.000 0.193) 0.271 22.371 ( 2.302 0.000 1.485) 2.740 22.504 ( -0.353 0.000 -0.067) 0.359 22.527 ( 0.082 0.000 1.761) 1.762 27.243 ( -1.301 0.000 0.527) 1.404 27.249 ( 1.101 0.000 -0.433) 1.183 27.374 ( 1.361 0.000 -1.042) 1.714 27.437 ( 0.191 0.000 0.657) 0.684 36.875 ( 1.707 0.000 -2.314) 2.876 36.888 ( 0.430 0.000 -0.268) 0.506 37.268 ( -6.134 0.000 3.585) 7.105 37.493 ( 1.471 0.000 -3.416) 3.720 37.896 ( -1.612 0.000 9.554) 9.689 38.061 ( -8.207 0.000 5.476) 9.866 38.741 ( -4.437 0.000 -17.794) 18.339 39.941 ( 3.159 0.000 -14.647) 14.984 ======================= Grid point 114 (58/126) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -22.634 0.000 21.366) 31.125 1.426 ( -15.354 0.000 26.486) 30.615 2.347 ( -22.448 0.000 30.620) 37.968 2.537 ( 2.541 0.000 -11.902) 12.170 2.749 ( 0.290 0.000 -1.327) 1.358 3.068 ( -0.120 0.000 -6.553) 6.554 3.090 ( -12.445 0.000 10.902) 16.545 3.184 ( -4.708 0.000 9.459) 10.566 3.242 ( -4.942 0.000 7.383) 8.885 3.359 ( 0.517 0.000 4.998) 5.025 3.560 ( -8.849 0.000 6.054) 10.722 3.770 ( -6.963 0.000 -11.379) 13.341 4.145 ( -0.237 0.000 -4.214) 4.221 4.455 ( -5.714 0.000 -0.184) 5.717 4.472 ( -6.413 0.000 1.921) 6.694 4.580 ( 10.991 0.000 13.516) 17.421 4.656 ( -6.472 0.000 8.796) 10.921 4.695 ( -5.971 0.000 -0.515) 5.994 4.843 ( -3.126 0.000 3.188) 4.465 5.024 ( -9.028 0.000 -18.779) 20.836 5.208 ( 0.329 0.000 -6.004) 6.013 5.247 ( -8.444 0.000 1.499) 8.576 5.504 ( 6.768 0.000 -1.753) 6.991 5.516 ( -13.270 0.000 1.857) 13.399 5.629 ( -0.706 0.000 -2.772) 2.860 5.931 ( 4.382 0.000 -0.989) 4.492 6.274 ( 4.245 0.000 1.972) 4.681 6.346 ( -5.540 0.000 -0.163) 5.543 6.346 ( 2.517 0.000 -1.701) 3.038 6.385 ( 14.533 0.000 6.691) 15.999 6.472 ( -2.506 0.000 -2.516) 3.551 6.762 ( 3.513 0.000 2.461) 4.289 6.842 ( 6.037 0.000 -8.501) 10.426 7.126 ( -2.542 0.000 11.041) 11.330 7.221 ( 1.295 0.000 -13.570) 13.632 7.279 ( -0.150 0.000 -3.406) 3.409 7.364 ( -6.261 0.000 -3.493) 7.169 7.424 ( -3.977 0.000 -2.279) 4.584 7.724 ( 10.798 0.000 6.951) 12.842 8.071 ( -5.257 0.000 0.191) 5.260 8.204 ( -5.397 0.000 6.300) 8.296 8.210 ( -1.337 0.000 6.099) 6.243 8.257 ( -0.103 0.000 -2.184) 2.186 8.374 ( -3.204 0.000 -3.568) 4.796 8.494 ( 10.491 0.000 -7.746) 13.041 8.530 ( 6.614 0.000 -5.344) 8.503 9.294 ( 6.381 0.000 14.874) 16.184 10.641 ( 14.940 0.000 -10.809) 18.440 16.607 ( 0.509 0.000 -0.302) 0.592 16.700 ( -2.275 0.000 -1.004) 2.487 16.926 ( 0.230 0.000 0.136) 0.267 16.958 ( 1.597 0.000 -0.903) 1.835 17.245 ( 0.446 0.000 -1.026) 1.119 17.371 ( -4.917 0.000 -1.253) 5.074 17.473 ( -4.446 0.000 0.477) 4.471 17.620 ( -1.815 0.000 -3.147) 3.632 22.339 ( 0.164 0.000 0.604) 0.626 22.453 ( 4.358 0.000 0.388) 4.375 22.513 ( 2.880 0.000 1.464) 3.230 22.532 ( -0.274 0.000 1.840) 1.860 27.222 ( -1.038 0.000 0.621) 1.210 27.266 ( 0.755 0.000 -0.707) 1.034 27.397 ( 1.319 0.000 -0.592) 1.446 27.428 ( -1.184 0.000 0.492) 1.282 36.889 ( 0.399 0.000 -0.811) 0.904 36.890 ( -0.248 0.000 0.674) 0.718 37.172 ( -4.649 0.000 1.659) 4.936 37.524 ( 2.973 0.000 -4.138) 5.095 37.787 ( -8.673 0.000 7.071) 11.190 38.078 ( 2.989 0.000 8.816) 9.309 38.406 ( -26.290 0.000 -18.598) 32.203 39.805 ( -10.097 0.000 -20.169) 22.556 ======================= Grid point 115 (59/126) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -11.753 14.112 23.010) 29.440 1.541 ( -6.123 20.395 21.454) 30.227 2.310 ( -6.083 -1.057 25.802) 26.530 2.563 ( 0.869 7.549 7.991) 11.027 2.765 ( -1.645 -3.510 1.942) 4.335 2.816 ( -3.346 0.432 7.055) 7.820 3.029 ( 0.646 -2.510 -3.634) 4.463 3.163 ( 0.643 0.572 0.055) 0.862 3.283 ( 0.100 1.651 6.232) 6.447 3.439 ( 4.532 6.947 3.894) 9.163 3.598 ( -4.586 -2.628 -7.505) 9.179 3.631 ( -1.163 7.057 3.786) 8.092 4.171 ( -3.057 2.464 -5.621) 6.857 4.212 ( -4.767 -6.651 2.265) 8.490 4.381 ( -7.109 -0.342 -2.523) 7.551 4.554 ( -4.841 1.520 1.907) 5.420 4.728 ( -0.046 2.176 1.249) 2.509 4.772 ( 1.807 3.126 3.047) 4.724 4.843 ( -2.602 4.926 -4.592) 7.220 4.974 ( 5.087 1.489 -1.062) 5.406 5.117 ( -1.990 2.787 2.154) 4.046 5.136 ( -3.237 0.667 -5.668) 6.561 5.471 ( 3.302 1.353 2.642) 4.440 5.592 ( 4.964 -1.358 -3.033) 5.974 5.769 ( 3.644 1.855 -2.339) 4.711 5.949 ( 3.872 -6.982 -2.041) 8.240 6.084 ( -0.563 -10.517 -4.209) 11.342 6.225 ( -5.330 -5.460 2.836) 8.140 6.380 ( 5.047 -1.243 1.380) 5.378 6.466 ( 9.321 -6.330 2.185) 11.477 6.614 ( 4.360 -1.091 -0.263) 4.502 6.798 ( -9.601 -7.389 7.035) 14.010 6.957 ( 9.760 1.966 -13.590) 16.846 7.112 ( -0.053 -2.458 0.633) 2.539 7.150 ( 13.290 7.507 -1.340) 15.322 7.311 ( -1.850 1.354 -2.683) 3.529 7.360 ( -8.650 3.009 -3.128) 9.678 7.401 ( 7.793 1.895 -12.054) 14.478 7.787 ( -4.772 -11.145 2.278) 12.336 7.855 ( -2.021 3.736 6.035) 7.380 8.206 ( -1.934 -1.287 4.587) 5.142 8.240 ( -4.144 5.821 7.680) 10.490 8.325 ( 4.758 -3.183 -6.571) 8.714 8.433 ( 1.475 1.331 -0.599) 2.075 8.559 ( 5.836 6.869 -6.180) 10.929 8.930 ( 5.161 18.156 -2.657) 19.062 9.318 ( -0.287 -7.011 14.446) 16.060 10.415 ( -5.960 -17.792 -7.590) 20.240 16.668 ( 1.871 3.681 -1.130) 4.281 16.715 ( -0.128 2.691 -1.031) 2.885 16.905 ( -0.717 -1.608 0.084) 1.762 16.961 ( -0.432 -1.520 -0.502) 1.658 17.260 ( -0.436 -0.036 -0.720) 0.843 17.287 ( 0.772 0.408 -1.096) 1.401 17.433 ( -1.089 0.486 1.428) 1.860 17.568 ( -0.056 -2.127 -2.507) 3.288 22.355 ( 0.464 0.653 0.852) 1.170 22.458 ( 0.050 -1.259 -0.925) 1.564 22.528 ( -0.253 -0.093 1.420) 1.446 22.599 ( 5.322 -3.567 1.336) 6.544 27.227 ( -0.058 1.516 0.588) 1.627 27.286 ( -0.532 1.272 -0.837) 1.613 27.382 ( -0.717 -1.773 0.276) 1.933 27.401 ( -0.127 -1.524 -0.050) 1.530 36.898 ( -0.396 2.627 0.602) 2.724 36.994 ( 1.107 4.090 -1.146) 4.389 37.138 ( -0.888 2.833 -0.156) 2.973 37.415 ( -7.573 -5.288 -0.577) 9.254 37.732 ( 4.901 3.047 3.978) 7.009 37.992 ( -7.389 3.749 1.329) 8.391 38.279 ( -10.446 17.091 -0.072) 20.031 39.411 ( -11.659 -8.575 -14.624) 20.575 ======================= Grid point 116 (60/126) ======================= q-point: ( 0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 1.660 13.219 19.517) 23.631 1.665 ( 11.743 16.874 16.486) 26.352 2.356 ( 0.951 -11.123 17.766) 20.982 2.659 ( 2.368 11.015 15.642) 19.277 2.759 ( 3.464 -4.170 2.037) 5.791 2.838 ( 2.497 3.536 5.700) 7.157 3.034 ( 0.742 -3.859 -0.554) 3.969 3.220 ( 4.499 4.070 -3.897) 7.211 3.301 ( 1.092 1.833 3.431) 4.040 3.549 ( 4.364 -1.991 -3.267) 5.804 3.563 ( 3.794 8.614 6.294) 11.323 3.705 ( 4.892 1.633 5.910) 7.844 3.991 ( -10.294 -0.886 -2.882) 10.727 4.228 ( -1.833 4.667 -3.251) 5.976 4.267 ( 1.485 -7.570 -0.643) 7.741 4.499 ( -2.847 1.535 6.964) 7.679 4.701 ( 0.101 5.112 0.956) 5.202 4.823 ( 1.040 -0.480 1.729) 2.074 4.849 ( 5.135 5.451 1.109) 7.570 5.031 ( -0.031 10.716 -0.354) 10.722 5.099 ( 8.018 -1.869 -7.694) 11.268 5.222 ( 6.377 1.076 -5.750) 8.654 5.572 ( 2.807 -3.312 5.339) 6.882 5.621 ( -2.672 -0.875 -6.900) 7.451 5.763 ( 2.379 -6.082 2.170) 6.881 6.038 ( 4.861 -9.423 -1.961) 10.783 6.128 ( 0.802 -2.363 -0.442) 2.534 6.197 ( 5.402 -7.403 -1.908) 9.361 6.437 ( 1.085 1.134 -0.697) 1.717 6.570 ( -7.392 0.421 0.926) 7.462 6.657 ( 2.863 -4.401 2.404) 5.775 6.760 ( 11.370 -7.281 -3.299) 13.899 7.042 ( 4.225 2.519 -8.930) 10.195 7.129 ( 2.210 -0.043 2.563) 3.384 7.176 ( -6.414 1.695 -5.413) 8.563 7.286 ( -0.532 0.287 -4.718) 4.757 7.406 ( 10.078 3.281 -1.290) 10.677 7.527 ( 8.441 -4.549 -10.505) 14.224 7.687 ( -4.061 3.210 1.511) 5.393 7.883 ( 2.466 -6.320 0.262) 6.789 8.106 ( -10.585 8.853 8.809) 16.371 8.210 ( -1.051 -4.340 1.731) 4.789 8.381 ( 1.803 -0.483 -1.823) 2.609 8.458 ( 0.689 -5.646 -2.115) 6.068 8.642 ( 3.676 4.926 -4.208) 7.448 8.951 ( -1.886 18.803 -0.706) 18.911 9.289 ( -8.492 -7.048 15.313) 18.875 10.189 ( -11.739 -8.915 -7.010) 16.323 16.686 ( 0.383 2.551 -0.053) 2.581 16.707 ( -0.265 2.120 -0.963) 2.344 16.880 ( -1.737 -1.929 -0.487) 2.641 16.941 ( -1.360 -2.367 -0.382) 2.756 17.282 ( 3.361 1.049 -1.367) 3.777 17.339 ( 3.169 0.237 -0.149) 3.181 17.447 ( 2.276 0.949 1.148) 2.720 17.589 ( 3.607 -1.635 -2.708) 4.797 22.365 ( 0.221 0.667 0.766) 1.039 22.446 ( -0.750 -0.841 -1.175) 1.628 22.527 ( -0.289 0.376 0.944) 1.056 22.670 ( 1.440 -4.586 0.503) 4.833 27.229 ( 0.004 1.783 0.425) 1.833 27.269 ( -0.769 0.754 -0.594) 1.229 27.349 ( -2.468 -1.554 0.126) 2.919 27.408 ( 0.223 -1.896 0.288) 1.931 36.829 ( -5.591 3.124 0.706) 6.443 37.019 ( 1.193 1.557 -2.639) 3.288 37.167 ( 1.812 6.562 0.384) 6.818 37.382 ( 7.659 -2.337 -0.071) 8.008 37.862 ( -3.053 14.331 -1.468) 14.726 37.893 ( 9.999 4.720 4.619) 11.983 38.243 ( 0.439 1.069 11.486) 11.544 39.134 ( -12.198 -7.616 -13.588) 19.785 ======================= Grid point 117 (61/126) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 11.692 10.951 10.722) 19.277 2.024 ( 19.140 10.916 10.899) 24.582 2.449 ( 3.452 -12.112 12.069) 17.443 2.729 ( 2.796 -1.449 9.761) 10.257 2.896 ( 1.227 0.191 4.081) 4.265 2.916 ( 6.890 6.042 3.879) 9.951 3.056 ( 0.667 -2.029 -1.009) 2.362 3.279 ( 6.567 -0.668 0.958) 6.670 3.381 ( 3.297 1.500 -0.753) 3.699 3.638 ( 1.521 -1.539 2.718) 3.474 3.685 ( 4.412 7.351 7.502) 11.392 3.745 ( -1.538 -0.090 6.840) 7.012 3.843 ( -2.020 3.348 3.970) 5.572 4.136 ( -3.841 2.006 1.129) 4.478 4.422 ( 9.845 -3.963 -0.470) 10.623 4.521 ( 3.403 1.438 7.757) 8.592 4.763 ( 6.260 1.275 -2.203) 6.758 4.856 ( 1.887 0.455 1.964) 2.761 5.007 ( 10.483 6.211 2.338) 12.407 5.098 ( 6.690 10.788 -1.360) 12.767 5.207 ( 7.133 2.945 -10.488) 13.022 5.329 ( 6.381 -0.127 -1.021) 6.464 5.444 ( -8.303 -7.889 -5.376) 12.652 5.650 ( 0.835 -4.500 6.156) 7.671 5.850 ( 4.391 -2.048 -0.404) 4.862 6.074 ( -0.183 -2.426 -1.372) 2.793 6.135 ( -0.894 -2.835 0.594) 3.031 6.274 ( -0.626 -2.051 1.053) 2.389 6.459 ( 4.442 -0.278 -5.499) 7.075 6.492 ( 3.421 1.103 -5.351) 6.446 6.746 ( 4.856 -5.339 1.206) 7.317 6.914 ( 4.965 -13.262 -9.075) 16.819 7.008 ( -3.786 0.507 -4.538) 5.931 7.131 ( 3.074 2.651 -2.144) 4.591 7.216 ( 0.183 -0.861 -4.995) 5.072 7.298 ( 7.521 -1.994 1.962) 8.025 7.499 ( -2.873 8.125 3.913) 9.464 7.550 ( 4.065 2.375 -3.240) 5.715 7.764 ( 8.291 -3.975 -5.982) 10.970 7.918 ( -9.657 8.665 3.622) 13.470 7.949 ( 5.982 -3.648 -6.151) 9.324 8.160 ( -6.780 -6.405 6.101) 11.145 8.340 ( -5.029 -0.083 2.535) 5.632 8.470 ( 2.037 -3.618 -5.260) 6.701 8.631 ( -4.528 1.562 1.181) 4.933 8.866 ( -6.729 19.481 0.478) 20.616 9.127 ( -13.187 -7.928 13.816) 20.679 9.998 ( -5.735 -5.187 -9.909) 12.569 16.676 ( -0.876 1.018 0.725) 1.526 16.711 ( 0.232 1.252 -0.205) 1.290 16.845 ( -1.484 -2.078 -1.024) 2.751 16.913 ( -1.155 -3.063 -0.843) 3.381 17.343 ( 3.031 0.547 -0.809) 3.185 17.387 ( 2.049 0.470 0.152) 2.108 17.530 ( 5.867 2.633 -0.183) 6.433 17.680 ( 6.522 -0.649 -2.840) 7.143 22.367 ( -0.134 0.512 0.423) 0.677 22.425 ( -0.917 -0.682 -1.276) 1.713 22.525 ( -0.171 0.723 0.479) 0.884 22.667 ( -1.489 -3.112 0.897) 3.564 27.228 ( -0.106 0.980 -0.220) 1.010 27.260 ( -0.123 1.109 0.271) 1.149 27.300 ( -2.376 -1.066 0.040) 2.605 27.404 ( -0.849 -1.646 0.380) 1.891 36.746 ( -3.254 1.718 0.388) 3.700 36.998 ( -2.613 -1.049 -1.951) 3.426 37.210 ( 3.291 9.547 1.393) 10.194 37.619 ( 13.083 -5.353 -1.745) 14.243 37.869 ( 4.915 10.625 -3.719) 12.283 38.112 ( 9.684 5.992 6.034) 12.887 38.331 ( 3.943 -1.709 13.749) 14.405 38.882 ( -7.966 -7.073 -13.237) 16.991 ======================= Grid point 118 (62/126) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 14.896 10.306 4.116) 18.576 2.409 ( 16.830 6.517 8.695) 20.033 2.571 ( 4.440 -10.431 11.224) 15.953 2.839 ( 5.023 -4.467 3.350) 7.510 2.939 ( 2.671 2.234 8.094) 8.812 2.975 ( -0.764 -1.576 2.728) 3.241 3.077 ( 2.904 2.277 -2.110) 4.251 3.376 ( -3.489 3.918 -0.627) 5.284 3.397 ( 0.896 -4.949 -2.170) 5.478 3.565 ( -4.437 1.514 6.706) 8.182 3.697 ( -2.183 -1.153 6.124) 6.603 3.838 ( 6.281 -0.422 10.085) 11.889 3.971 ( 6.277 5.419 11.176) 13.917 4.114 ( 0.459 -1.771 3.050) 3.557 4.552 ( 4.378 -3.092 1.088) 5.469 4.689 ( 10.094 -1.327 7.850) 12.856 4.892 ( 7.379 -0.098 -4.941) 8.881 4.907 ( 3.093 1.365 4.602) 5.711 5.201 ( 6.179 0.792 -3.407) 7.100 5.225 ( 3.254 6.043 -3.569) 7.736 5.306 ( 6.335 2.993 -3.335) 7.759 5.330 ( 3.578 2.269 1.035) 4.362 5.453 ( 8.105 2.416 -4.354) 9.512 5.678 ( 0.046 -4.184 5.186) 6.664 5.942 ( 6.394 -1.977 -3.772) 7.683 6.028 ( -3.044 3.306 -3.687) 5.813 6.072 ( -3.908 3.002 2.796) 5.666 6.291 ( 2.784 2.692 -1.730) 4.242 6.505 ( 2.044 -2.284 -4.489) 5.435 6.572 ( 2.796 -1.699 -4.789) 5.800 6.816 ( 1.721 -6.756 -2.917) 7.558 6.904 ( -1.851 -5.235 -6.502) 8.550 6.974 ( 0.343 -5.689 -2.672) 6.294 7.121 ( -1.259 -2.212 -7.689) 8.100 7.235 ( 4.178 1.922 -1.201) 4.753 7.416 ( 0.899 3.933 1.373) 4.262 7.446 ( 1.882 -0.167 4.146) 4.556 7.641 ( -1.448 -3.780 -0.965) 4.161 7.727 ( -5.521 5.983 -0.111) 8.142 7.928 ( 8.120 -2.978 0.717) 8.678 8.003 ( -4.887 -5.389 7.681) 10.579 8.150 ( 12.564 3.199 -11.416) 17.274 8.243 ( -6.306 2.919 1.602) 7.131 8.467 ( -5.622 -2.088 -1.203) 6.117 8.504 ( -3.740 -0.390 2.220) 4.367 8.729 ( -7.239 18.157 -0.283) 19.548 8.937 ( -10.427 -8.247 8.548) 15.805 9.846 ( -8.175 -4.809 -8.960) 13.047 16.672 ( -0.040 -0.365 1.151) 1.208 16.700 ( -1.190 0.065 0.334) 1.238 16.821 ( -0.654 -2.195 -1.405) 2.687 16.897 ( -0.149 -3.354 -1.322) 3.608 17.391 ( 2.319 0.752 -0.111) 2.440 17.424 ( 2.012 1.044 -0.431) 2.307 17.644 ( 5.918 3.557 -0.624) 6.932 17.792 ( 5.930 0.148 -2.696) 6.516 22.364 ( -0.234 0.342 0.072) 0.421 22.404 ( -0.841 -0.508 -1.287) 1.620 22.523 ( -0.182 0.787 0.120) 0.817 22.634 ( -2.186 -1.812 0.868) 2.970 27.229 ( 0.356 0.271 -0.146) 0.471 27.258 ( -0.482 0.569 0.664) 0.999 27.275 ( 0.053 0.112 -0.220) 0.252 27.379 ( -1.946 -1.192 0.206) 2.291 36.706 ( -0.931 0.329 -0.530) 1.120 36.925 ( -4.122 -1.762 -0.276) 4.491 37.282 ( 3.405 9.831 0.075) 10.404 37.755 ( 2.121 -3.457 3.677) 5.475 38.007 ( 6.669 2.073 -3.159) 7.665 38.224 ( 1.888 2.123 -0.334) 2.861 38.492 ( 7.971 1.421 11.662) 14.198 38.826 ( 7.280 -4.767 -8.164) 11.932 ======================= Grid point 119 (63/126) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 12.811 9.340 1.351) 15.912 2.656 ( 0.150 -4.847 7.899) 9.269 2.669 ( 6.575 -1.539 7.358) 9.987 2.915 ( 1.255 -2.873 2.363) 3.926 2.983 ( 2.159 0.052 4.592) 5.075 3.073 ( 4.589 -0.632 1.767) 4.957 3.095 ( -0.989 0.578 1.585) 1.956 3.232 ( -7.118 -0.947 5.343) 8.950 3.404 ( 2.594 2.634 3.355) 4.992 3.522 ( -3.379 3.231 7.133) 8.529 3.752 ( 3.942 -4.587 6.876) 9.158 3.973 ( 3.265 -1.641 10.944) 11.538 4.054 ( -0.597 2.515 5.506) 6.082 4.168 ( 3.775 -3.481 4.626) 6.911 4.624 ( 2.578 -6.771 3.308) 7.964 4.865 ( 3.380 -6.964 6.953) 10.405 4.962 ( 2.017 2.146 2.177) 3.663 5.026 ( 5.320 -2.436 0.331) 5.861 5.153 ( -1.958 -1.069 -3.306) 3.988 5.266 ( 2.616 5.678 -2.071) 6.586 5.403 ( 2.612 4.769 2.146) 5.846 5.557 ( 14.994 8.914 -1.535) 17.511 5.620 ( 12.389 2.574 -10.097) 16.189 5.696 ( 0.689 1.340 0.506) 1.590 5.935 ( -4.061 4.361 -5.532) 8.131 5.965 ( -1.001 -2.524 -0.628) 2.787 6.160 ( 9.247 2.996 0.187) 9.722 6.329 ( 1.576 3.835 -2.488) 4.835 6.497 ( -1.060 -2.638 -5.325) 6.036 6.532 ( -4.552 -1.616 -1.095) 4.953 6.777 ( -6.750 -2.850 -6.234) 9.620 6.813 ( -1.335 -0.315 -5.696) 5.859 6.966 ( -1.358 -4.930 0.693) 5.160 7.062 ( -2.751 -2.367 -8.587) 9.323 7.281 ( -1.154 0.071 3.208) 3.410 7.416 ( 2.019 4.192 4.047) 6.167 7.507 ( -6.453 -3.460 0.808) 7.366 7.596 ( -3.031 -0.488 1.865) 3.592 7.701 ( 9.744 -2.540 -1.961) 10.259 7.895 ( -0.704 -4.591 -2.802) 5.425 8.050 ( -10.439 4.278 5.724) 12.651 8.176 ( 3.097 -1.255 7.602) 8.304 8.328 ( -1.097 -3.552 1.297) 3.937 8.379 ( 11.989 3.113 -10.647) 16.334 8.528 ( 1.993 2.529 0.083) 3.221 8.611 ( -2.032 16.336 -6.391) 17.659 8.807 ( -5.966 -9.302 4.449) 11.913 9.602 ( -14.911 -4.133 -5.456) 16.407 16.655 ( -2.129 -0.602 1.868) 2.896 16.707 ( 1.730 -1.882 0.102) 2.559 16.809 ( -0.086 -2.490 -1.615) 2.969 16.890 ( -0.186 -3.296 -1.656) 3.694 17.426 ( 1.270 1.687 0.213) 2.123 17.459 ( 1.962 1.435 -1.063) 2.654 17.735 ( 3.701 3.707 -0.386) 5.253 17.871 ( 3.409 0.724 -2.664) 4.387 22.360 ( -0.157 0.218 -0.145) 0.305 22.385 ( -0.676 -0.307 -1.233) 1.440 22.519 ( -0.258 0.624 -0.045) 0.677 22.595 ( -2.077 -1.056 0.473) 2.377 27.239 ( 0.638 0.210 0.449) 0.808 27.260 ( 0.454 -0.092 0.551) 0.720 27.287 ( 1.184 0.420 -0.382) 1.313 27.338 ( -2.057 -0.567 -0.193) 2.142 36.707 ( 1.320 -0.458 -1.391) 1.972 36.857 ( -2.873 -1.642 0.505) 3.348 37.329 ( 1.592 8.151 0.337) 8.311 37.764 ( -2.705 -3.622 2.698) 5.265 37.981 ( -5.588 4.641 3.308) 7.982 38.310 ( 6.716 -7.507 -5.260) 11.364 38.676 ( 7.386 6.111 6.471) 11.566 39.031 ( 14.029 -3.393 -1.382) 14.500 ======================= Grid point 120 (64/126) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 7.566 7.395 1.311) 10.660 2.573 ( -11.734 2.007 4.639) 12.776 2.743 ( -1.781 -5.712 7.368) 9.491 2.869 ( -5.843 -3.565 1.208) 6.951 2.988 ( -3.835 -1.644 4.149) 5.884 3.048 ( -2.313 -6.125 5.627) 8.633 3.099 ( 1.332 1.170 3.034) 3.514 3.291 ( 5.657 -2.625 1.469) 6.407 3.522 ( 1.759 4.218 7.764) 9.009 3.560 ( 8.571 6.733 10.947) 15.448 3.843 ( 2.550 -2.876 8.636) 9.453 4.017 ( -3.256 0.416 1.139) 3.475 4.050 ( 1.670 -1.311 9.080) 9.325 4.277 ( 4.491 -1.728 6.817) 8.345 4.637 ( -2.765 -6.218 1.189) 6.908 4.888 ( -1.681 -3.136 5.604) 6.638 4.946 ( -3.186 -4.215 0.046) 5.283 5.093 ( 1.994 1.109 4.818) 5.331 5.154 ( 1.268 -0.567 -4.463) 4.674 5.312 ( 1.085 5.755 3.090) 6.621 5.437 ( 0.217 4.445 1.709) 4.767 5.624 ( -5.707 1.643 -4.686) 7.566 5.798 ( 9.402 0.182 -11.399) 14.778 5.832 ( 10.223 4.765 -1.556) 11.386 5.867 ( -2.221 1.214 -2.253) 3.388 6.005 ( 7.503 -3.653 -3.443) 9.027 6.287 ( 2.500 0.163 -3.528) 4.327 6.338 ( 1.838 5.082 -0.621) 5.440 6.416 ( -4.804 1.633 -5.628) 7.577 6.470 ( -0.702 1.202 -2.914) 3.229 6.629 ( -6.576 -5.227 -2.054) 8.648 6.750 ( -2.866 1.333 -4.552) 5.541 6.902 ( -7.301 -4.954 5.011) 10.147 6.966 ( -2.854 2.670 -9.099) 9.903 7.243 ( -3.002 2.235 0.105) 3.744 7.393 ( -8.096 3.674 5.675) 10.547 7.425 ( -1.508 -6.076 -0.152) 6.263 7.624 ( 8.278 7.661 -0.176) 11.280 7.678 ( -7.890 -3.130 2.883) 8.964 7.873 ( -6.866 -0.240 1.342) 7.000 8.043 ( 2.270 0.528 2.996) 3.795 8.210 ( 8.606 -6.435 -4.002) 11.467 8.373 ( -0.765 3.542 1.277) 3.843 8.503 ( 4.753 -1.692 0.999) 5.143 8.549 ( 3.533 3.887 -5.089) 7.314 8.719 ( 6.834 0.329 -4.419) 8.145 8.748 ( 5.240 -1.901 -0.672) 5.614 9.264 ( -18.665 -2.655 -2.764) 19.055 16.625 ( -1.646 -0.754 1.736) 2.508 16.743 ( 1.679 -3.897 0.453) 4.267 16.807 ( 0.644 -2.151 -1.556) 2.732 16.877 ( -0.404 -2.934 -2.019) 3.584 17.436 ( -0.353 2.973 0.033) 2.995 17.487 ( 1.357 1.307 -1.122) 2.193 17.775 ( 0.599 3.427 -0.092) 3.480 17.897 ( 0.344 1.069 -2.798) 3.014 22.357 ( -0.145 0.139 -0.258) 0.327 22.370 ( -0.532 -0.116 -1.128) 1.252 22.514 ( -0.226 0.366 0.102) 0.442 22.560 ( -1.719 -0.615 0.109) 1.829 27.255 ( 0.365 0.062 0.718) 0.808 27.260 ( -0.484 -0.059 0.487) 0.689 27.312 ( 0.750 -0.085 -0.450) 0.879 27.323 ( 1.577 0.129 -0.431) 1.640 36.740 ( 2.421 -0.970 -1.709) 3.118 36.832 ( 0.398 -0.665 0.378) 0.863 37.352 ( 0.627 5.359 1.656) 5.644 37.678 ( -5.746 -1.266 0.673) 5.922 37.916 ( -3.008 4.107 3.077) 5.948 38.372 ( 0.418 -10.510 -0.278) 10.522 38.807 ( 5.109 8.942 0.804) 10.329 39.295 ( 13.440 -4.353 1.191) 14.178 ======================= Grid point 121 (65/126) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -9.834 4.266 11.189) 15.496 2.312 ( -8.411 6.540 2.100) 10.859 2.652 ( -8.607 -2.627 8.133) 12.130 2.756 ( -4.886 -1.323 -5.558) 7.518 2.962 ( -1.205 -6.288 5.360) 8.350 3.006 ( -3.190 -10.684 3.136) 11.583 3.160 ( 1.062 -1.102 7.860) 8.008 3.362 ( 1.100 -4.223 0.302) 4.374 3.597 ( 2.308 10.185 9.066) 13.829 3.689 ( -0.295 6.107 3.486) 7.038 3.939 ( -1.337 3.132 6.143) 7.024 3.976 ( 4.527 -2.900 9.017) 10.498 4.124 ( 2.138 -0.375 9.037) 9.294 4.323 ( -2.764 -1.310 5.291) 6.112 4.595 ( 0.339 0.831 -1.912) 2.112 4.829 ( -3.702 2.048 -1.673) 4.550 4.902 ( -3.350 -2.206 3.465) 5.301 5.126 ( -3.571 0.862 -1.139) 3.846 5.129 ( -1.620 2.129 5.012) 5.681 5.287 ( -4.113 -0.588 1.359) 4.371 5.382 ( -6.143 4.835 -3.070) 8.399 5.533 ( -1.002 -3.994 1.115) 4.266 5.774 ( -5.155 -6.630 0.137) 8.400 5.915 ( 0.500 4.776 0.797) 4.868 5.928 ( 5.392 -3.009 -11.552) 13.098 6.084 ( -5.716 -6.066 -0.653) 8.361 6.226 ( -0.782 0.806 -6.717) 6.810 6.347 ( 0.295 2.291 -2.609) 3.484 6.401 ( 2.702 2.329 -6.450) 7.370 6.445 ( -2.203 2.604 -4.030) 5.280 6.506 ( -5.357 -4.698 -0.582) 7.148 6.703 ( -4.261 2.137 3.826) 6.112 6.796 ( 0.418 -2.124 -1.618) 2.702 6.930 ( 1.399 2.196 -4.824) 5.482 7.136 ( -5.716 11.642 -5.453) 14.069 7.295 ( -3.482 -0.844 4.927) 6.092 7.431 ( 1.667 -4.078 -1.892) 4.795 7.548 ( -4.918 -1.868 2.412) 5.788 7.775 ( -3.159 -3.380 1.213) 4.783 7.803 ( 7.917 10.413 -3.113) 13.446 8.072 ( 2.001 0.863 7.195) 7.518 8.243 ( -1.587 10.248 -1.796) 10.525 8.476 ( 7.685 -7.527 -4.432) 11.634 8.541 ( -1.483 -4.506 -2.330) 5.285 8.574 ( 0.641 -4.873 7.162) 8.686 8.690 ( -2.659 0.641 -1.057) 2.932 8.911 ( -15.502 -0.213 -2.256) 15.667 9.104 ( 24.361 -2.838 -6.552) 25.386 16.607 ( -0.877 -0.799 1.391) 1.829 16.762 ( 0.265 -4.953 0.146) 4.962 16.827 ( 1.741 -1.596 -0.785) 2.488 16.865 ( 0.080 -2.506 -2.256) 3.373 17.415 ( -1.743 4.040 -0.211) 4.405 17.497 ( 0.002 0.816 -0.906) 1.219 17.757 ( -2.430 2.802 -0.055) 3.709 17.866 ( -2.501 1.197 -3.056) 4.126 22.352 ( -0.255 0.119 -0.296) 0.408 22.357 ( -0.406 0.027 -0.875) 0.965 22.513 ( -0.037 0.098 0.573) 0.583 22.533 ( -1.229 -0.316 -0.043) 1.269 27.237 ( -0.900 0.112 0.089) 0.911 27.276 ( 0.750 0.353 0.585) 1.015 27.323 ( 0.832 -0.322 -0.726) 1.150 27.367 ( 2.551 -0.087 0.246) 2.564 36.775 ( 1.807 -0.865 -0.650) 2.107 36.876 ( 3.829 0.775 -1.012) 4.036 37.361 ( -0.695 2.558 2.727) 3.803 37.594 ( -2.858 1.858 -0.354) 3.428 37.869 ( -2.985 2.301 2.731) 4.654 38.320 ( -6.411 -10.232 3.141) 12.476 38.879 ( 3.415 9.798 -4.213) 11.199 39.533 ( 11.338 -6.610 0.651) 13.140 ======================= Grid point 122 (66/126) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -19.185 6.570 18.032) 27.137 2.173 ( -14.694 6.709 7.595) 17.850 2.615 ( 0.043 -1.497 9.189) 9.310 2.649 ( -1.562 1.812 -10.531) 10.799 2.934 ( -6.082 -11.985 3.019) 13.775 2.968 ( -0.295 -7.687 5.113) 9.237 3.174 ( -1.806 -0.839 4.167) 4.619 3.322 ( -4.974 -3.493 -1.747) 6.325 3.552 ( -9.940 10.337 5.290) 15.285 3.713 ( 2.127 8.082 6.275) 10.450 3.862 ( -8.224 1.069 8.213) 11.672 4.086 ( -4.292 -2.132 3.407) 5.880 4.171 ( 3.230 3.290 10.035) 11.043 4.327 ( 3.081 -1.572 6.875) 7.696 4.568 ( -3.740 10.125 -2.863) 11.167 4.789 ( -3.304 -2.727 -0.322) 4.297 4.828 ( -4.651 1.664 3.254) 5.915 5.007 ( -5.284 2.571 -2.204) 6.276 5.034 ( -7.695 3.553 2.021) 8.714 5.220 ( -4.419 -2.068 -2.532) 5.497 5.267 ( -4.309 3.379 1.652) 5.720 5.525 ( -1.820 -6.193 0.154) 6.456 5.682 ( -9.889 -8.190 -6.471) 14.378 5.774 ( -6.925 -2.280 4.324) 8.477 5.834 ( -8.111 -3.499 0.101) 8.834 6.106 ( 5.549 2.532 1.646) 6.318 6.197 ( -4.043 4.638 -6.865) 9.219 6.263 ( -6.318 0.056 -7.631) 9.907 6.298 ( -5.018 0.446 -3.824) 6.324 6.395 ( 0.037 -1.731 -5.811) 6.064 6.533 ( 1.660 -4.549 1.169) 4.982 6.698 ( 3.775 -6.282 5.441) 9.128 6.803 ( -0.447 1.503 -11.992) 12.094 6.887 ( -2.147 1.303 0.174) 2.518 7.081 ( -1.808 1.504 -4.423) 5.009 7.340 ( 6.235 8.729 2.538) 11.023 7.411 ( -1.986 -2.567 -0.293) 3.259 7.555 ( 2.558 2.317 2.097) 4.039 7.753 ( 3.174 -1.462 -2.972) 4.587 7.897 ( 3.047 7.094 -2.358) 8.073 8.137 ( -0.088 -1.635 8.544) 8.699 8.264 ( 3.940 10.178 -3.509) 11.464 8.448 ( -4.286 -4.968 0.267) 6.566 8.473 ( -5.236 -1.212 2.162) 5.793 8.610 ( -5.119 6.758 -0.712) 8.508 8.671 ( -8.315 1.651 -3.009) 8.996 8.736 ( 11.281 -9.346 5.315) 15.584 9.576 ( 26.952 -10.812 -6.834) 29.833 16.600 ( -0.305 -0.518 0.837) 1.031 16.761 ( -0.313 -3.131 -0.176) 3.152 16.857 ( 1.674 -2.314 -0.681) 2.936 16.873 ( 1.603 -2.108 -1.685) 3.139 17.371 ( -2.731 4.412 -0.357) 5.201 17.479 ( -1.648 0.146 -0.595) 1.758 17.687 ( -4.701 1.814 -0.438) 5.058 17.787 ( -4.402 0.967 -3.343) 5.611 22.346 ( -0.323 0.151 -0.239) 0.429 22.351 ( 0.095 0.073 -0.108) 0.161 22.514 ( -0.671 -0.091 0.050) 0.679 22.517 ( 0.094 -0.116 1.097) 1.107 27.229 ( -0.032 0.064 -0.147) 0.164 27.287 ( 0.201 1.362 0.426) 1.441 27.337 ( 0.931 -0.979 -0.930) 1.640 27.411 ( 1.794 -0.414 0.602) 1.937 36.808 ( 1.750 -0.097 0.329) 1.783 36.946 ( 3.679 2.339 -1.775) 4.707 37.339 ( -2.773 1.355 2.421) 3.922 37.556 ( -1.329 3.449 -1.559) 4.012 37.842 ( -0.761 -0.379 4.300) 4.383 38.166 ( -10.681 -8.007 4.305) 14.026 38.907 ( 1.915 9.422 -8.923) 13.117 39.717 ( 8.257 -9.760 -3.524) 13.261 ======================= Grid point 123 (67/126) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -17.213 7.797 22.287) 29.219 1.895 ( -17.344 13.140 14.864) 26.352 2.547 ( -3.095 -1.498 -5.862) 6.796 2.715 ( 1.942 1.950 2.519) 3.731 2.788 ( -9.333 -4.981 4.354) 11.440 2.975 ( -1.667 -5.209 4.722) 7.226 3.121 ( -5.707 -1.690 3.457) 6.883 3.203 ( -4.856 -1.251 0.088) 5.016 3.378 ( -9.208 3.806 7.570) 12.513 3.654 ( -14.854 10.229 12.753) 22.089 3.744 ( -3.476 2.436 1.857) 4.633 3.938 ( -8.488 -0.065 -3.786) 9.294 4.266 ( 0.151 1.900 4.620) 4.997 4.402 ( 3.668 4.981 4.704) 7.771 4.484 ( -5.180 -0.229 6.020) 7.945 4.635 ( -7.513 1.124 -2.958) 8.152 4.770 ( -3.984 3.817 2.320) 5.986 4.853 ( -8.653 -1.787 3.308) 9.435 5.009 ( -3.000 5.827 1.032) 6.635 5.137 ( 0.085 -0.067 -8.557) 8.558 5.202 ( -3.894 0.106 0.201) 3.901 5.425 ( -8.169 2.014 -3.373) 9.064 5.446 ( -5.516 -5.622 -4.900) 9.276 5.671 ( -7.663 -6.005 0.542) 9.750 5.793 ( 1.587 -5.104 2.389) 5.855 5.936 ( -13.743 5.273 -7.925) 16.718 6.170 ( 2.325 -0.240 -0.842) 2.484 6.231 ( -0.430 -0.635 2.143) 2.276 6.315 ( 4.299 1.523 -0.870) 4.643 6.372 ( 0.372 0.110 -3.872) 3.891 6.490 ( -4.952 -10.223 2.001) 11.534 6.693 ( -1.809 2.064 -7.496) 7.983 6.859 ( 6.351 -10.031 7.991) 14.311 6.935 ( 5.916 2.644 -9.120) 11.187 7.031 ( 0.354 -1.979 -5.862) 6.198 7.363 ( -1.250 -1.433 -0.942) 2.122 7.397 ( -1.876 2.052 -2.045) 3.452 7.621 ( 0.638 8.949 6.909) 11.324 7.819 ( 0.506 12.962 0.076) 12.972 7.967 ( 6.306 -9.860 -3.152) 12.121 8.141 ( -2.110 -1.934 5.741) 6.415 8.215 ( -3.706 -1.203 -1.766) 4.278 8.391 ( -4.898 1.955 3.809) 6.506 8.476 ( 1.580 1.784 -0.753) 2.499 8.513 ( -4.350 9.105 0.159) 10.092 8.595 ( 6.019 10.453 -7.140) 14.017 8.984 ( 11.303 -8.283 9.721) 17.055 10.039 ( 23.947 -17.317 -6.741) 30.311 16.603 ( 0.538 0.566 0.262) 0.823 16.749 ( -0.776 -0.283 -0.590) 1.015 16.886 ( 1.514 -2.295 -0.295) 2.765 16.908 ( 2.667 -1.896 -1.444) 3.577 17.313 ( -3.061 3.642 -0.597) 4.794 17.433 ( -3.066 -0.554 -0.210) 3.123 17.584 ( -5.768 0.910 -0.898) 5.908 17.686 ( -4.647 -0.080 -3.525) 5.833 22.341 ( -0.093 0.256 0.144) 0.309 22.367 ( 1.747 -0.307 1.150) 2.113 22.505 ( -0.266 0.121 0.128) 0.319 22.525 ( 0.103 -0.242 1.587) 1.609 27.230 ( 0.017 0.082 -0.098) 0.129 27.290 ( 0.098 2.211 0.144) 2.217 27.353 ( 1.110 -1.623 -0.863) 2.148 27.432 ( 0.149 -0.642 0.471) 0.810 36.840 ( 1.394 0.779 1.133) 1.958 36.991 ( 1.663 3.628 -1.587) 4.295 37.273 ( -4.697 1.940 1.254) 5.234 37.534 ( 0.102 2.799 -3.323) 4.346 37.838 ( -4.749 -4.416 6.935) 9.495 38.005 ( -5.039 -4.485 4.523) 8.122 38.864 ( -3.295 10.136 -14.021) 17.613 39.790 ( 1.367 -12.525 -11.453) 17.026 ======================= Grid point 124 (68/126) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -16.926 10.614 22.579) 30.149 1.668 ( -13.420 18.890 20.262) 30.781 2.431 ( -11.831 -2.723 12.628) 17.517 2.588 ( -5.957 8.615 2.974) 10.888 2.779 ( 0.069 0.024 0.471) 0.477 2.899 ( -8.122 -1.483 10.711) 13.523 3.047 ( -1.830 -5.251 -0.648) 5.599 3.166 ( -0.647 -2.299 1.463) 2.801 3.283 ( -3.525 -0.060 6.607) 7.489 3.445 ( -8.163 9.641 7.034) 14.459 3.664 ( -4.509 4.882 3.023) 7.300 3.765 ( -7.712 0.423 -8.443) 11.443 4.209 ( -3.160 2.988 -2.106) 4.832 4.364 ( -9.214 -4.417 4.927) 11.344 4.510 ( -3.682 2.216 -4.247) 6.042 4.580 ( 8.177 -1.259 7.427) 11.118 4.660 ( -6.951 2.153 3.270) 7.977 4.785 ( -0.235 2.682 -3.469) 4.392 4.909 ( -6.053 9.409 5.894) 12.645 5.035 ( -6.712 0.118 -10.678) 12.612 5.123 ( -2.533 -4.022 -6.047) 7.691 5.318 ( -6.442 3.439 0.341) 7.311 5.440 ( 2.625 -2.947 0.409) 3.968 5.541 ( -3.303 -0.019 -0.812) 3.401 5.710 ( -2.267 3.553 -2.657) 4.982 5.873 ( 4.572 -2.578 -2.280) 5.723 6.208 ( -7.815 -11.113 -3.654) 14.068 6.255 ( 5.915 -2.254 1.899) 6.609 6.281 ( 2.027 -2.819 3.232) 4.744 6.376 ( -3.366 -6.511 1.231) 7.432 6.514 ( 6.565 2.230 2.213) 7.278 6.736 ( 8.778 4.155 -4.088) 10.537 6.932 ( -1.019 -14.993 -0.098) 15.028 7.002 ( 4.595 9.388 -1.930) 10.629 7.080 ( 4.661 -4.477 -4.446) 7.845 7.341 ( -0.094 0.355 -4.049) 4.065 7.351 ( -0.119 3.536 -5.353) 6.416 7.548 ( -8.762 6.050 -0.597) 10.665 7.813 ( -1.492 4.713 6.475) 8.146 7.943 ( -7.051 -6.261 4.769) 10.567 8.190 ( 3.191 0.086 2.262) 3.912 8.218 ( 4.216 -6.430 -3.615) 8.496 8.313 ( -3.330 1.753 0.573) 3.807 8.444 ( -3.072 8.270 4.540) 9.922 8.495 ( 2.853 6.237 -5.287) 8.660 8.778 ( 11.802 16.444 -5.720) 21.034 9.203 ( 6.996 -7.463 12.741) 16.340 10.377 ( 12.957 -21.351 -7.750) 26.150 16.628 ( 2.128 2.501 -0.435) 3.312 16.730 ( -0.926 2.181 -0.970) 2.561 16.906 ( 0.536 -1.785 0.073) 1.866 16.951 ( 1.892 -1.381 -1.151) 2.609 17.265 ( -1.268 1.626 -0.917) 2.257 17.357 ( -4.913 -1.036 -0.662) 5.065 17.480 ( -4.356 0.779 0.001) 4.425 17.603 ( -2.647 -1.534 -3.007) 4.289 22.344 ( 0.291 0.459 0.593) 0.804 22.428 ( 3.529 -1.909 1.068) 4.152 22.511 ( 1.195 0.017 1.039) 1.584 22.532 ( 0.165 -0.178 1.690) 1.707 27.228 ( -0.203 0.771 0.296) 0.850 27.292 ( 0.056 1.953 -0.426) 2.000 27.372 ( 1.105 -1.990 -0.427) 2.316 27.421 ( -1.239 -0.756 0.226) 1.469 36.871 ( 1.536 1.787 1.399) 2.740 36.998 ( -0.302 4.007 -0.751) 4.088 37.190 ( -3.965 2.557 0.079) 4.718 37.523 ( -1.169 -1.276 -4.273) 4.610 37.719 ( -6.240 -2.700 6.016) 9.078 38.017 ( 0.803 -4.695 7.044) 8.503 38.632 ( -16.106 16.480 -16.380) 28.271 39.666 ( -8.473 -11.514 -16.350) 21.718 ======================= Grid point 125 (69/126) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -8.789 17.495 19.272) 27.472 1.939 ( -5.333 1.140 13.997) 15.022 2.110 ( -8.854 3.712 17.787) 20.213 2.486 ( -5.811 -17.545 9.820) 20.928 2.849 ( 3.598 7.104 -3.712) 8.786 2.945 ( 1.717 -1.725 -1.580) 2.901 3.083 ( -3.699 17.047 15.878) 23.588 3.218 ( 3.892 2.571 -1.328) 4.850 3.287 ( 1.729 0.056 3.674) 4.060 3.452 ( -3.282 -10.350 5.326) 12.094 3.632 ( 1.576 9.356 -0.946) 9.535 3.761 ( -1.168 0.749 -0.442) 1.456 4.101 ( -7.318 -1.373 2.982) 8.020 4.158 ( -6.787 -3.647 1.552) 7.860 4.429 ( -2.514 5.293 -6.414) 8.687 4.555 ( -1.241 -4.123 -7.184) 8.375 4.724 ( 0.690 2.866 3.423) 4.518 4.808 ( -0.010 -2.601 -5.880) 6.429 4.987 ( 2.436 3.199 -3.310) 5.208 5.043 ( 3.965 0.502 4.757) 6.213 5.128 ( -4.103 11.522 0.916) 12.265 5.330 ( -3.208 10.530 0.337) 11.013 5.441 ( -0.360 -8.230 1.260) 8.333 5.526 ( 5.355 -3.596 -2.347) 6.865 5.682 ( -4.015 -6.399 -4.593) 8.841 5.720 ( -3.040 -10.933 -1.459) 11.441 6.008 ( 5.762 3.699 -1.182) 6.948 6.111 ( -1.124 -4.916 -0.019) 5.043 6.308 ( 7.041 -3.407 0.915) 7.875 6.327 ( 7.944 -4.752 -0.143) 9.258 6.619 ( 2.169 1.379 0.631) 2.647 6.670 ( -2.232 -3.491 2.680) 4.934 7.020 ( 8.935 2.648 -7.279) 11.825 7.063 ( 5.137 -1.675 -3.080) 6.219 7.274 ( 1.865 3.491 -1.484) 4.227 7.323 ( 0.494 -0.688 -5.198) 5.267 7.400 ( -6.616 1.740 -1.615) 7.029 7.451 ( -7.438 -1.485 -1.180) 7.676 7.726 ( 5.953 9.001 -6.212) 12.452 7.991 ( -1.953 1.248 6.392) 6.799 8.039 ( 3.541 -8.435 -5.653) 10.754 8.148 ( -5.325 -4.477 7.931) 10.550 8.419 ( -0.111 4.263 2.751) 5.075 8.474 ( -3.408 -0.359 4.027) 5.288 8.753 ( 1.631 11.995 3.356) 12.562 9.028 ( -0.098 -11.416 11.755) 16.386 9.470 ( 6.277 22.224 -7.302) 24.220 9.965 ( 2.521 -22.428 -7.833) 23.890 16.763 ( 1.152 4.203 -1.589) 4.639 16.783 ( 0.040 3.152 -1.281) 3.402 16.860 ( -0.883 -1.965 0.093) 2.156 16.900 ( -0.633 -3.900 -0.498) 3.983 17.271 ( 0.452 0.831 -0.771) 1.220 17.287 ( 0.832 -0.473 -0.909) 1.320 17.458 ( -0.914 1.857 0.116) 2.073 17.511 ( -0.425 -2.812 -1.400) 3.170 22.377 ( 0.679 1.441 0.792) 1.779 22.417 ( 0.790 -2.169 0.357) 2.335 22.530 ( 0.418 0.319 1.318) 1.419 22.546 ( 1.669 -1.317 1.660) 2.697 27.273 ( 0.683 2.579 0.356) 2.692 27.315 ( -0.805 0.754 -0.588) 1.250 27.339 ( 0.027 -1.631 0.106) 1.634 27.361 ( -1.838 -1.887 -0.206) 2.642 36.967 ( 0.270 3.166 0.515) 3.219 37.017 ( 0.389 -1.146 0.102) 1.214 37.220 ( -1.832 4.082 -0.574) 4.511 37.311 ( -4.604 -4.371 0.053) 6.349 37.823 ( 5.216 5.158 4.912) 8.828 37.940 ( 2.856 -5.086 5.872) 8.277 38.755 ( -12.419 21.505 -13.991) 28.503 39.152 ( -10.385 -15.122 -14.587) 23.437 ======================= Grid point 126 (70/126) ======================= q-point: ( 0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.137 18.372 18.459) 26.044 1.996 ( 4.257 -13.178 11.512) 18.009 2.078 ( 1.430 14.462 17.525) 22.767 2.473 ( 1.264 -16.802 8.782) 19.001 2.886 ( 1.427 4.219 -1.840) 4.819 2.953 ( -0.083 -2.022 -1.265) 2.386 3.125 ( 1.504 15.442 12.658) 20.024 3.301 ( -1.796 -1.506 -0.449) 2.387 3.323 ( 6.449 4.315 0.063) 7.760 3.459 ( 3.898 -6.469 2.827) 8.064 3.742 ( 6.094 5.306 2.297) 8.401 3.778 ( 1.610 3.889 4.688) 6.300 3.973 ( -6.158 0.970 0.686) 6.272 4.088 ( 0.194 -7.779 0.452) 7.795 4.390 ( 0.352 9.600 -3.764) 10.317 4.528 ( 0.334 -0.743 0.664) 1.051 4.760 ( 0.707 -0.852 5.046) 5.166 4.791 ( 0.932 -2.323 -8.175) 8.549 4.996 ( 0.635 9.309 1.504) 9.451 5.130 ( 8.357 4.881 0.978) 9.727 5.228 ( 8.797 -0.911 -4.078) 9.739 5.286 ( -2.257 -0.240 -0.477) 2.319 5.383 ( -4.840 -1.374 2.600) 5.663 5.558 ( -2.519 -4.237 -0.425) 4.947 5.651 ( 6.564 -1.973 -0.669) 6.887 5.773 ( 5.818 -13.139 -0.482) 14.377 6.116 ( 2.830 0.252 -4.491) 5.315 6.118 ( 6.525 -0.056 -3.436) 7.374 6.434 ( 5.308 -0.810 -0.429) 5.387 6.497 ( 8.585 -6.807 -0.584) 10.972 6.586 ( -5.316 1.867 0.979) 5.719 6.651 ( -0.931 -3.440 2.356) 4.272 7.113 ( 2.078 3.307 -6.150) 7.285 7.147 ( 4.209 0.672 -3.185) 5.321 7.216 ( -2.263 1.928 -3.573) 4.648 7.266 ( -4.186 -2.642 -6.209) 7.941 7.426 ( 5.942 -1.859 -2.712) 6.791 7.433 ( 9.612 -0.778 -4.130) 10.491 7.837 ( 6.730 10.660 -5.992) 13.959 7.926 ( -5.432 6.737 8.026) 11.803 8.085 ( -4.936 -6.530 8.261) 11.630 8.105 ( 1.644 -10.993 -3.408) 11.626 8.372 ( -4.397 2.557 2.420) 5.633 8.401 ( -5.025 -0.583 2.937) 5.849 8.779 ( -1.157 9.101 3.343) 9.764 9.017 ( -6.043 -11.054 12.120) 17.481 9.478 ( -2.096 21.320 -6.287) 22.326 9.904 ( -4.509 -16.966 -8.428) 19.473 16.759 ( -0.345 3.115 -0.976) 3.282 16.767 ( -1.404 3.734 -0.924) 4.095 16.829 ( -2.140 -2.473 -0.184) 3.276 16.869 ( -2.248 -4.069 -0.272) 4.657 17.309 ( 3.115 1.286 -0.664) 3.435 17.333 ( 3.067 -0.783 -0.284) 3.178 17.484 ( 4.065 2.357 -0.440) 4.720 17.541 ( 4.441 -2.643 -1.867) 5.494 22.386 ( 0.052 1.330 0.437) 1.401 22.419 ( -0.398 -1.533 -0.337) 1.619 22.542 ( 0.371 1.127 1.173) 1.668 22.583 ( 1.242 -2.905 1.635) 3.558 27.278 ( -1.057 2.287 -0.362) 2.545 27.292 ( -0.200 1.521 -0.041) 1.534 27.316 ( -2.134 -1.220 -0.134) 2.462 27.354 ( 0.368 -2.954 0.516) 3.021 36.921 ( -4.829 4.721 0.645) 6.784 37.006 ( -2.015 -2.523 -0.625) 3.289 37.253 ( 4.303 2.672 0.567) 5.097 37.318 ( 6.355 -3.277 0.002) 7.150 37.981 ( 8.706 4.404 6.612) 11.786 38.055 ( 7.547 -1.066 5.227) 9.242 38.487 ( -10.673 20.249 -9.231) 24.681 38.887 ( -11.668 -15.183 -14.055) 23.753 ======================= Grid point 127 (71/126) ======================= q-point: ( 0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 8.130 16.763 16.362) 24.795 2.118 ( 4.903 -15.970 17.486) 24.184 2.307 ( 14.661 12.966 6.268) 20.551 2.587 ( 7.396 -11.136 5.818) 14.579 2.887 ( -0.694 1.304 0.883) 1.721 2.936 ( -1.409 -2.837 -1.192) 3.384 3.176 ( 0.314 7.358 1.689) 7.556 3.267 ( 0.257 -1.711 -1.468) 2.269 3.457 ( 6.316 5.861 3.874) 9.447 3.582 ( 5.427 -4.360 6.265) 9.366 3.746 ( -5.036 1.276 2.055) 5.587 3.773 ( -4.114 -0.058 1.266) 4.304 3.980 ( 4.950 8.052 7.563) 12.105 4.125 ( -0.219 -4.651 3.361) 5.742 4.431 ( 4.767 8.358 1.535) 9.744 4.582 ( 3.635 0.452 5.320) 6.459 4.785 ( 1.333 -1.366 -3.034) 3.585 4.802 ( 3.826 -3.672 -2.128) 5.714 5.096 ( 7.485 2.195 0.490) 7.816 5.201 ( 0.243 -7.281 -1.098) 7.367 5.322 ( 3.391 5.002 -1.763) 6.295 5.350 ( 10.278 4.706 -3.328) 11.784 5.392 ( 3.944 7.627 -1.614) 8.737 5.541 ( 0.099 -5.838 5.842) 8.259 5.768 ( 6.603 -0.638 -1.082) 6.721 5.929 ( 9.332 -10.497 0.720) 14.064 6.157 ( 2.631 3.975 -4.557) 6.595 6.238 ( 6.697 -2.162 -3.778) 7.987 6.492 ( 0.433 3.433 0.579) 3.509 6.511 ( 0.250 1.882 -4.120) 4.536 6.608 ( 1.550 -6.382 0.138) 6.569 6.635 ( 1.317 -10.206 -0.985) 10.338 7.047 ( -3.349 3.046 -4.965) 6.719 7.128 ( -3.193 -3.524 -4.278) 6.397 7.242 ( 3.980 2.769 -6.062) 7.763 7.278 ( 5.026 -0.278 -1.808) 5.349 7.585 ( 10.828 0.884 -3.696) 11.476 7.595 ( 6.658 0.169 -3.532) 7.539 7.799 ( -10.240 7.984 8.951) 15.771 7.960 ( -0.669 -0.627 -1.244) 1.545 8.002 ( 1.590 -3.215 2.408) 4.320 8.054 ( -4.166 0.353 0.354) 4.196 8.330 ( -1.672 -0.318 -0.474) 1.767 8.361 ( 3.019 -3.875 -3.662) 6.128 8.698 ( -9.770 5.336 6.309) 12.795 8.867 ( -14.627 -9.625 13.431) 22.068 9.384 ( -4.877 21.117 -5.881) 22.457 9.782 ( -4.753 -14.673 -8.934) 17.824 16.727 ( -2.664 3.365 0.733) 4.354 16.743 ( -1.539 1.706 -0.174) 2.304 16.795 ( -0.928 -2.180 -1.223) 2.666 16.827 ( -1.447 -4.377 -0.606) 4.650 17.363 ( 2.739 1.113 0.059) 2.957 17.383 ( 2.487 -0.658 0.268) 2.587 17.596 ( 7.451 3.090 -1.729) 8.250 17.652 ( 7.521 -1.946 -2.596) 8.191 22.383 ( -0.375 0.941 -0.015) 1.013 22.406 ( -0.713 -1.043 -0.685) 1.437 22.550 ( 0.020 1.608 0.843) 1.815 22.598 ( -0.212 -2.850 1.258) 3.123 27.250 ( -1.103 1.058 -0.686) 1.675 27.275 ( -1.644 -1.188 -0.407) 2.069 27.299 ( 0.065 2.444 0.723) 2.549 27.357 ( -0.359 -2.613 0.580) 2.700 36.828 ( -4.902 5.233 1.400) 7.306 36.940 ( -4.507 -4.367 0.519) 6.297 37.366 ( 7.101 5.739 -0.123) 9.131 37.493 ( 10.447 -6.005 -1.363) 12.127 38.134 ( 2.704 9.396 3.239) 10.300 38.264 ( 9.326 -2.890 9.576) 13.676 38.326 ( -0.603 13.379 -4.232) 14.046 38.655 ( -5.569 -13.684 -13.238) 19.837 ======================= Grid point 128 (72/126) ======================= q-point: ( 0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 11.649 14.201 12.162) 22.029 2.303 ( 7.663 -13.413 14.814) 21.403 2.589 ( 11.172 8.517 2.623) 14.291 2.746 ( 6.553 -5.132 1.135) 8.401 2.906 ( 0.213 -1.636 1.377) 2.149 2.923 ( 4.405 -2.745 7.637) 9.234 3.172 ( -0.575 4.773 -1.422) 5.013 3.275 ( 0.238 -5.069 -2.767) 5.780 3.485 ( -6.812 5.225 3.577) 9.301 3.592 ( -5.711 -3.608 5.377) 8.634 3.706 ( 2.964 5.414 4.998) 7.942 3.807 ( 5.852 -2.792 6.696) 9.321 4.059 ( -1.590 2.136 6.745) 7.251 4.097 ( -2.432 -0.398 4.954) 5.533 4.532 ( 3.379 3.065 3.958) 6.040 4.653 ( 1.888 -4.577 4.429) 6.643 4.840 ( 6.313 -0.659 -2.990) 7.016 4.896 ( 4.988 -3.673 0.036) 6.195 5.219 ( 3.259 2.052 -2.148) 4.409 5.247 ( 5.988 1.358 -1.803) 6.399 5.408 ( 6.189 5.372 2.077) 8.454 5.488 ( 7.308 4.683 -1.703) 8.845 5.518 ( 8.558 -1.197 -1.990) 8.867 5.607 ( 4.773 -2.786 0.404) 5.542 5.900 ( 6.706 5.268 0.350) 8.535 6.068 ( 4.311 -3.905 -1.710) 6.063 6.166 ( 0.565 6.663 -2.033) 6.989 6.314 ( 2.655 -3.500 -3.199) 5.434 6.516 ( 2.765 1.786 -4.123) 5.276 6.522 ( 0.247 1.981 -1.738) 2.647 6.630 ( 4.156 -8.045 -0.580) 9.074 6.669 ( 1.303 -10.269 -4.942) 11.471 6.993 ( -0.961 3.261 -4.518) 5.655 7.069 ( -0.652 -3.209 -6.347) 7.142 7.303 ( 3.431 3.652 -1.966) 5.383 7.366 ( 4.864 -2.288 0.563) 5.404 7.571 ( -9.534 0.121 2.408) 9.835 7.608 ( -8.015 3.101 5.097) 9.992 7.718 ( 0.311 0.874 1.059) 1.408 7.860 ( -3.804 -7.187 4.208) 9.156 8.074 ( 8.031 9.836 -1.198) 12.755 8.203 ( 14.035 -0.753 -10.350) 17.455 8.318 ( -0.071 4.778 -2.098) 5.219 8.422 ( 3.800 -3.240 -4.426) 6.673 8.474 ( -14.886 0.389 7.476) 16.662 8.610 ( -15.060 -11.788 12.050) 22.604 9.253 ( -7.250 20.948 -5.105) 22.748 9.642 ( -7.734 -14.086 -7.502) 17.734 16.684 ( -2.140 1.226 1.592) 2.936 16.699 ( -2.732 -0.119 0.660) 2.813 16.780 ( -0.251 -0.768 -1.551) 1.749 16.814 ( 0.073 -3.560 -1.219) 3.764 17.415 ( 2.771 1.195 0.187) 3.024 17.432 ( 2.613 -0.244 0.100) 2.626 17.727 ( 6.664 3.493 -2.061) 7.801 17.781 ( 6.682 -1.401 -2.746) 7.359 22.375 ( -0.403 0.623 -0.325) 0.810 22.390 ( -0.637 -0.716 -0.847) 1.279 22.548 ( -0.419 1.523 0.435) 1.639 22.588 ( -1.068 -2.118 0.787) 2.499 27.238 ( 0.023 0.593 -0.291) 0.661 27.253 ( -0.497 -0.667 -0.044) 0.833 27.301 ( -0.086 1.870 0.309) 1.897 27.344 ( -1.125 -1.925 0.321) 2.253 36.757 ( -3.056 4.061 1.546) 5.312 36.857 ( -4.364 -4.419 1.497) 6.388 37.484 ( 4.865 8.336 -1.503) 9.768 37.647 ( 5.353 -6.535 -0.638) 8.471 38.111 ( -1.806 6.924 -1.692) 7.353 38.231 ( -6.696 -2.671 2.683) 7.692 38.554 ( 13.872 4.752 3.597) 15.098 38.691 ( 11.390 -7.078 -4.309) 14.085 ======================= Grid point 129 (73/126) ======================= q-point: ( 0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( 9.458 11.723 6.636) 16.459 2.475 ( 5.437 -9.827 8.938) 14.353 2.700 ( 1.122 2.858 5.599) 6.386 2.798 ( -0.532 -5.880 1.637) 6.127 3.018 ( 5.508 2.009 3.503) 6.829 3.052 ( 2.351 -0.926 1.053) 2.738 3.127 ( -2.686 2.188 2.057) 4.029 3.195 ( -7.139 -3.226 1.708) 8.019 3.431 ( 2.682 3.720 6.656) 8.083 3.547 ( 1.730 -5.195 6.454) 8.464 3.806 ( 3.016 10.185 7.263) 12.868 3.936 ( 3.829 -1.329 9.097) 9.959 4.031 ( -2.899 -3.311 4.942) 6.618 4.071 ( 0.003 -5.963 5.541) 8.140 4.577 ( 0.710 2.969 2.806) 4.146 4.700 ( 1.286 -7.208 3.486) 8.109 4.945 ( 1.310 -1.962 -0.914) 2.530 4.954 ( 4.476 -2.745 -3.145) 6.120 5.254 ( 1.675 8.019 0.538) 8.209 5.362 ( 5.372 0.161 -1.114) 5.488 5.534 ( 4.821 8.236 4.587) 10.588 5.616 ( 9.794 0.986 -9.498) 13.678 5.662 ( 4.033 -3.050 -0.469) 5.079 5.720 ( 8.430 -4.532 -1.323) 9.662 5.964 ( -1.473 8.283 4.249) 9.425 6.056 ( -3.988 2.969 -2.795) 5.704 6.217 ( 5.340 2.323 -4.382) 7.288 6.333 ( 1.474 -6.169 -5.201) 8.203 6.493 ( -1.411 1.846 -3.637) 4.316 6.543 ( -0.147 4.120 -2.525) 4.834 6.656 ( -0.054 -4.906 -2.958) 5.729 6.720 ( 3.969 -6.511 -3.306) 8.311 6.951 ( -2.783 3.243 -3.096) 5.277 7.029 ( -1.785 -2.685 -6.117) 6.915 7.308 ( -3.127 2.306 0.869) 3.981 7.362 ( -4.553 -3.082 0.672) 5.539 7.531 ( 3.983 0.316 3.061) 5.033 7.580 ( 4.022 -2.735 2.409) 5.428 7.695 ( -0.745 4.803 3.369) 5.914 7.833 ( 1.641 -4.328 0.056) 4.629 8.142 ( -13.970 4.983 6.306) 16.117 8.181 ( -11.706 2.470 7.394) 14.064 8.277 ( 5.254 0.291 -1.141) 5.384 8.445 ( -0.650 -5.618 1.855) 5.952 8.479 ( 13.200 -1.072 -8.559) 15.769 8.560 ( 7.708 -4.854 -4.779) 10.286 9.069 ( -10.191 19.223 -5.083) 22.343 9.423 ( -13.038 -12.636 -5.512) 18.975 16.649 ( -2.226 0.207 1.525) 2.706 16.667 ( -0.932 -1.439 1.159) 2.070 16.773 ( 0.174 -0.073 -1.530) 1.542 16.812 ( 0.114 -3.268 -1.358) 3.541 17.464 ( 2.108 1.417 0.197) 2.548 17.478 ( 2.120 0.159 -0.086) 2.128 17.821 ( 3.969 3.592 -2.023) 5.723 17.872 ( 3.938 -1.015 -2.806) 4.940 22.367 ( -0.272 0.391 -0.466) 0.666 22.377 ( -0.464 -0.444 -0.879) 1.089 22.539 ( -0.669 1.153 0.126) 1.340 22.567 ( -1.323 -1.415 0.341) 1.968 27.246 ( 0.585 0.407 0.371) 0.803 27.255 ( 0.452 -0.376 0.415) 0.719 27.302 ( 0.318 0.866 -0.296) 0.969 27.322 ( -0.970 -0.913 -0.221) 1.350 36.728 ( -0.544 2.436 1.401) 2.862 36.798 ( -2.322 -3.488 2.170) 4.718 37.523 ( 0.188 8.787 -2.094) 9.035 37.679 ( -1.242 -5.208 -0.506) 5.378 38.069 ( -3.142 3.810 1.163) 5.073 38.165 ( 0.109 -5.448 -1.591) 5.677 38.807 ( 11.225 5.942 3.447) 13.161 38.932 ( 13.267 -5.454 0.759) 14.364 ======================= Grid point 130 (74/126) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 4.261 9.335 4.429) 11.176 2.569 ( 2.060 -6.371 4.710) 8.186 2.681 ( -7.928 3.271 9.227) 12.597 2.772 ( -3.463 -4.363 5.284) 7.678 2.907 ( -8.729 -2.303 0.353) 9.035 2.943 ( -10.514 -4.494 -0.972) 11.476 3.155 ( 2.283 3.252 3.714) 5.439 3.225 ( 3.874 -3.190 2.725) 5.710 3.611 ( 10.694 4.773 8.477) 14.457 3.684 ( 7.580 -0.257 8.518) 11.405 3.851 ( 0.153 5.628 7.022) 9.001 3.971 ( -3.471 -5.119 1.857) 6.457 4.042 ( 4.530 2.795 10.816) 12.055 4.180 ( 5.715 -7.165 10.033) 13.589 4.594 ( 0.406 3.347 1.835) 3.839 4.731 ( 1.454 -8.007 3.674) 8.929 4.918 ( -1.815 1.179 -4.054) 4.596 5.009 ( 2.559 -6.585 -5.621) 9.029 5.259 ( -2.258 8.624 2.651) 9.300 5.400 ( -1.625 -1.850 1.699) 2.991 5.609 ( -1.168 8.869 6.524) 11.072 5.665 ( -4.093 4.149 -5.854) 8.261 5.767 ( 8.241 -1.945 -12.762) 15.316 5.863 ( 7.132 -8.429 0.053) 11.042 5.935 ( -1.762 4.310 1.750) 4.975 5.945 ( -2.293 3.574 -0.855) 4.332 6.265 ( 0.608 -1.357 -6.193) 6.369 6.331 ( -0.908 -7.303 -3.449) 8.127 6.448 ( -2.834 1.922 -3.467) 4.873 6.485 ( -3.064 -0.954 -2.830) 4.279 6.625 ( -3.315 6.330 -3.339) 7.887 6.742 ( -0.662 -3.719 -2.083) 4.314 6.881 ( -1.573 4.583 -3.991) 6.278 6.978 ( -1.192 -2.397 -5.592) 6.200 7.280 ( 1.279 2.664 1.482) 3.306 7.333 ( -0.324 -1.715 3.259) 3.697 7.532 ( -5.405 3.149 3.229) 7.040 7.574 ( -3.470 -2.921 1.841) 4.896 7.834 ( 6.773 7.976 8.176) 13.279 7.886 ( -4.099 1.377 3.116) 5.330 7.978 ( -9.178 -5.046 4.766) 11.507 8.032 ( 13.103 -4.776 -6.433) 15.359 8.370 ( 2.301 -1.464 3.158) 4.173 8.431 ( -1.553 -6.132 1.870) 6.596 8.670 ( 8.339 2.914 -5.733) 10.531 8.704 ( 4.971 1.168 -0.799) 5.168 8.875 ( -3.689 11.771 -10.213) 16.015 9.132 ( -14.819 -9.637 -5.394) 18.482 16.620 ( -1.429 0.613 1.363) 2.068 16.660 ( -0.374 -3.106 1.060) 3.303 16.779 ( 0.945 -0.059 -1.170) 1.506 16.810 ( 0.210 -2.713 -1.408) 3.064 17.490 ( 0.553 1.764 0.206) 1.861 17.507 ( 0.879 0.218 -0.132) 0.915 17.857 ( 0.592 3.479 -1.984) 4.049 17.905 ( 0.609 -0.770 -2.916) 3.077 22.361 ( -0.207 0.220 -0.502) 0.586 22.366 ( -0.352 -0.206 -0.830) 0.925 22.526 ( -0.648 0.710 0.080) 0.965 22.544 ( -1.207 -0.862 0.088) 1.485 27.257 ( -0.181 0.064 0.663) 0.690 27.258 ( 0.043 -0.098 0.604) 0.613 27.314 ( 0.953 0.304 -0.549) 1.141 27.321 ( 1.456 -0.240 -0.527) 1.567 36.744 ( 1.548 1.411 1.327) 2.480 36.792 ( 0.901 -2.579 2.559) 3.743 37.500 ( -1.245 7.394 -1.918) 7.739 37.630 ( -2.776 -3.892 -1.077) 4.900 38.017 ( -3.093 5.303 1.279) 6.271 38.162 ( -1.156 -8.346 -0.588) 8.447 38.994 ( 7.543 8.362 2.133) 11.462 39.166 ( 10.714 -7.254 1.942) 13.084 ======================= Grid point 131 (75/126) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -9.409 8.171 14.904) 19.428 2.498 ( -7.049 9.684 -0.130) 11.979 2.581 ( -5.226 -5.040 12.740) 14.664 2.710 ( -4.133 -5.315 -0.357) 6.742 2.764 ( -5.662 -6.320 -1.535) 8.623 2.797 ( -4.252 -6.640 3.121) 8.480 3.206 ( 1.265 3.456 3.714) 5.228 3.282 ( 1.125 -3.414 1.291) 3.819 3.771 ( 3.051 5.383 1.313) 6.325 3.830 ( 1.763 8.004 9.591) 12.616 3.890 ( 1.492 -4.735 1.298) 5.131 3.970 ( 3.980 -3.787 9.932) 11.350 4.164 ( 3.472 5.416 11.205) 12.920 4.280 ( 0.105 -3.665 7.994) 8.795 4.633 ( 3.752 4.834 3.082) 6.852 4.797 ( 3.038 -8.382 6.234) 10.879 4.868 ( -1.140 4.064 -6.822) 8.022 5.028 ( 2.201 -9.461 -6.477) 11.675 5.185 ( -6.401 6.640 2.575) 9.576 5.338 ( -4.970 -5.110 1.739) 7.338 5.436 ( -13.570 6.861 -6.481) 16.529 5.534 ( -8.989 0.657 3.371) 9.623 5.754 ( -7.088 3.681 0.521) 8.003 5.843 ( -3.414 -4.685 3.414) 6.728 5.994 ( 2.723 4.975 -5.858) 8.153 6.060 ( 7.097 1.225 -9.498) 11.919 6.213 ( 0.636 -2.090 -3.300) 3.958 6.268 ( -4.113 -8.882 -1.406) 9.888 6.400 ( -0.148 1.096 -4.495) 4.629 6.421 ( -2.173 -1.693 -2.773) 3.909 6.540 ( -4.697 4.477 -3.037) 7.165 6.637 ( -7.854 -4.674 -1.982) 9.352 6.882 ( 1.124 4.679 -5.908) 7.619 6.939 ( -0.871 -0.934 -6.380) 6.506 7.313 ( -4.878 3.165 7.663) 9.620 7.349 ( 2.081 0.285 3.093) 3.739 7.419 ( -4.413 6.282 -0.829) 7.721 7.530 ( -1.459 -1.408 4.044) 4.523 7.751 ( -2.440 3.869 3.079) 5.513 7.939 ( 3.742 -7.397 5.850) 10.146 8.091 ( 9.437 9.580 3.210) 13.826 8.279 ( 13.228 -6.097 -6.057) 15.774 8.380 ( -1.257 -2.405 1.208) 2.971 8.396 ( -3.745 -6.168 3.128) 7.865 8.612 ( -6.892 9.183 -1.102) 11.535 8.748 ( -2.099 0.332 1.028) 2.361 8.885 ( -4.784 0.263 -10.074) 11.155 8.992 ( 13.670 -6.803 -8.461) 17.457 16.607 ( -0.350 1.211 1.120) 1.686 16.663 ( 0.527 -3.792 0.766) 3.905 16.798 ( 1.292 -0.629 -0.790) 1.640 16.811 ( 0.520 -1.877 -1.387) 2.391 17.484 ( -1.262 2.110 0.195) 2.467 17.507 ( -0.847 -0.127 -0.054) 0.858 17.829 ( -2.719 3.254 -2.088) 4.726 17.875 ( -2.578 -0.730 -3.075) 4.079 22.355 ( -0.238 0.123 -0.460) 0.532 22.357 ( -0.303 -0.033 -0.681) 0.746 22.517 ( -0.397 0.273 0.348) 0.594 22.524 ( -0.852 -0.408 0.111) 0.952 27.247 ( -0.459 0.752 0.101) 0.887 27.267 ( 0.460 -0.983 0.223) 1.108 27.334 ( 1.183 1.093 -0.259) 1.631 27.357 ( 2.058 -0.828 0.005) 2.219 36.789 ( 2.502 2.008 1.870) 3.713 36.847 ( 3.607 -2.775 2.294) 5.096 37.472 ( -0.982 6.637 -1.920) 6.978 37.589 ( -0.941 -3.031 -1.530) 3.523 37.949 ( -4.625 5.256 1.305) 7.122 38.103 ( -5.040 -8.941 0.559) 10.279 39.107 ( 4.246 10.974 -0.258) 11.769 39.343 ( 7.509 -10.358 0.879) 12.823 ======================= Grid point 132 (76/126) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -15.978 12.429 16.533) 26.137 2.383 ( -8.249 11.700 5.368) 15.289 2.479 ( -11.540 -11.867 18.157) 24.570 2.662 ( 0.210 -9.493 -0.135) 9.497 2.719 ( 0.446 -0.195 -2.853) 2.894 2.772 ( 0.431 -5.253 0.116) 5.272 3.219 ( -0.867 3.005 1.784) 3.601 3.273 ( -2.028 -1.902 -0.640) 2.853 3.740 ( -8.028 5.653 -0.572) 9.836 3.793 ( -2.397 0.335 -0.021) 2.420 3.954 ( -0.735 6.236 10.707) 12.412 4.061 ( -1.216 -2.493 7.600) 8.090 4.242 ( 1.211 2.407 8.733) 9.140 4.285 ( 0.593 -1.436 5.967) 6.166 4.711 ( -1.401 4.470 7.135) 8.536 4.829 ( -0.564 6.579 -7.221) 9.785 4.843 ( -1.401 -4.059 5.525) 6.998 5.004 ( -5.941 2.481 -1.734) 6.668 5.068 ( -4.043 -6.735 -5.320) 9.487 5.181 ( -6.615 0.008 -1.984) 6.907 5.251 ( -5.018 -1.394 -0.455) 5.228 5.390 ( -4.860 -6.743 0.563) 8.331 5.628 ( -6.683 4.473 0.485) 8.057 5.711 ( -10.946 -2.830 4.254) 12.079 5.873 ( -7.484 7.563 -2.824) 11.009 6.103 ( -4.549 -9.708 -6.941) 12.772 6.207 ( 0.989 3.714 -0.542) 3.882 6.256 ( 0.343 -0.704 -3.348) 3.439 6.346 ( -6.995 -0.040 -1.729) 7.205 6.395 ( -3.295 -3.520 -4.029) 6.283 6.432 ( -0.435 4.668 -3.832) 6.055 6.565 ( 3.123 -6.088 1.432) 6.991 6.848 ( -1.804 1.794 -10.645) 10.945 6.882 ( -1.527 -1.496 -6.459) 6.804 7.219 ( -4.544 10.052 4.071) 11.759 7.356 ( -0.488 -1.545 0.781) 1.799 7.412 ( 2.385 -0.048 -4.439) 5.039 7.519 ( -0.108 -9.369 2.149) 9.613 7.850 ( 6.629 13.956 11.287) 19.134 8.086 ( 5.523 -2.929 10.389) 12.125 8.146 ( -2.538 8.465 0.825) 8.875 8.286 ( -7.447 -4.318 0.929) 8.659 8.406 ( 2.468 -2.087 0.215) 3.239 8.467 ( 3.039 -8.167 1.107) 8.784 8.538 ( 4.580 4.621 -4.657) 8.002 8.642 ( -3.248 -3.211 -3.286) 5.626 8.889 ( 5.490 15.927 -6.025) 17.892 9.263 ( 17.223 -17.055 -6.566) 25.111 16.617 ( 1.107 2.354 0.654) 2.682 16.689 ( 2.059 -3.667 0.310) 4.217 16.815 ( 0.925 -0.873 -1.002) 1.619 16.826 ( 1.457 -1.699 -0.652) 2.331 17.446 ( -2.891 2.260 0.221) 3.676 17.475 ( -2.552 -0.633 0.110) 2.632 17.744 ( -5.360 2.896 -2.335) 6.525 17.790 ( -5.131 -1.020 -3.267) 6.168 22.349 ( -0.190 0.166 -0.303) 0.394 22.352 ( -0.015 -0.031 -0.198) 0.201 22.513 ( -0.404 -0.003 0.373) 0.550 22.514 ( -0.130 -0.125 0.737) 0.759 27.244 ( 0.142 1.237 -0.271) 1.274 27.278 ( 0.705 -1.696 -0.287) 1.859 27.352 ( 0.689 1.923 0.059) 2.043 27.391 ( 1.351 -1.444 0.347) 2.008 36.847 ( 2.647 3.299 2.362) 4.845 36.927 ( 3.649 -3.321 2.035) 5.337 37.445 ( -1.411 7.181 -2.461) 7.721 37.574 ( -0.443 -3.057 -2.332) 3.870 37.864 ( -4.671 3.320 2.277) 6.166 37.987 ( -7.130 -7.564 1.756) 10.542 39.155 ( 1.759 12.966 -4.168) 13.733 39.451 ( 4.134 -13.722 -2.614) 14.567 ======================= Grid point 133 (77/126) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -14.676 14.854 19.192) 28.361 2.247 ( -10.640 15.401 14.080) 23.423 2.322 ( -9.225 -13.212 11.268) 19.663 2.649 ( -2.610 -14.789 3.940) 15.526 2.769 ( 3.441 1.986 -1.602) 4.284 2.790 ( 2.877 -1.992 -1.557) 3.830 3.196 ( -1.719 2.986 0.014) 3.446 3.217 ( -2.619 0.680 -2.316) 3.561 3.532 ( -13.902 9.465 5.113) 17.578 3.695 ( -8.301 -4.193 0.609) 9.320 3.894 ( -9.069 7.649 8.387) 14.529 3.972 ( -8.574 1.317 3.378) 9.309 4.278 ( -0.526 0.421 4.545) 4.595 4.346 ( 1.391 -5.000 5.160) 7.318 4.575 ( -10.489 5.295 7.807) 14.107 4.692 ( -11.285 -2.746 1.374) 11.696 4.817 ( -0.475 6.002 -5.056) 7.862 4.911 ( -3.224 6.511 -4.474) 8.532 5.021 ( 0.385 -6.143 -4.573) 7.668 5.142 ( -3.729 -9.310 -2.940) 10.451 5.185 ( 1.516 9.054 -0.432) 9.190 5.367 ( 0.841 -5.075 0.005) 5.145 5.482 ( -7.274 3.007 -0.790) 7.911 5.542 ( -6.500 -3.297 -0.152) 7.290 5.763 ( -4.724 5.393 4.727) 8.588 5.960 ( -7.671 -6.563 -2.569) 10.417 6.124 ( -6.867 0.240 -4.861) 8.417 6.220 ( -1.449 1.013 -1.175) 2.123 6.236 ( -6.013 -6.666 -4.961) 10.257 6.265 ( -3.571 -5.382 2.878) 7.071 6.519 ( 4.108 5.940 0.318) 7.229 6.635 ( 1.926 -6.245 3.569) 7.446 6.784 ( 1.941 4.506 -9.907) 11.055 6.893 ( 4.880 -5.049 -7.821) 10.511 7.200 ( 1.492 12.732 -0.167) 12.821 7.354 ( 0.188 -0.534 -1.678) 1.771 7.419 ( 1.111 1.172 -5.700) 5.924 7.597 ( 7.099 -13.529 -4.086) 15.815 7.886 ( -7.322 8.068 8.020) 13.529 8.045 ( -10.182 -5.402 2.849) 11.873 8.129 ( -1.468 11.000 7.489) 13.388 8.262 ( 1.411 3.358 6.029) 7.044 8.390 ( -4.307 -1.905 4.337) 6.402 8.449 ( 0.049 -4.161 -0.501) 4.191 8.629 ( 5.490 4.253 -1.768) 7.166 8.754 ( 10.354 -7.576 1.802) 12.956 9.043 ( 13.259 22.932 -6.620) 27.304 9.571 ( 17.487 -24.189 -6.519) 30.551 16.655 ( 2.809 4.006 -0.157) 4.895 16.737 ( 2.721 -2.087 -0.453) 3.459 16.834 ( 1.461 -1.268 -0.670) 2.047 16.855 ( 1.788 -2.372 -0.302) 2.986 17.380 ( -4.109 2.232 0.147) 4.679 17.414 ( -3.937 -1.150 0.318) 4.114 17.622 ( -6.290 2.327 -2.318) 7.096 17.668 ( -6.098 -1.631 -3.274) 7.111 22.349 ( 0.217 0.440 0.189) 0.526 22.359 ( 0.831 -0.458 0.553) 1.098 22.510 ( -0.081 0.304 0.601) 0.678 22.518 ( 0.064 -0.381 1.149) 1.212 27.249 ( 0.494 1.587 -0.340) 1.697 27.292 ( 0.925 -2.075 -0.451) 2.316 27.359 ( -0.044 2.290 0.069) 2.291 27.406 ( 0.022 -1.790 0.288) 1.813 36.899 ( 1.921 4.033 2.446) 5.093 36.986 ( 1.758 -3.236 1.914) 4.150 37.389 ( -3.584 7.597 -3.113) 8.958 37.537 ( -2.789 -4.300 -3.655) 6.295 37.791 ( -4.525 2.041 4.037) 6.398 37.890 ( -2.982 -5.664 3.758) 7.422 39.136 ( -1.609 14.369 -9.501) 17.301 39.468 ( -0.547 -15.824 -8.297) 17.876 ======================= Grid point 134 (78/126) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -13.347 16.107 20.087) 29.001 2.072 ( -12.825 3.339 16.739) 21.350 2.220 ( -7.498 1.680 11.972) 14.226 2.584 ( -6.411 -15.651 6.726) 18.202 2.797 ( 2.275 5.562 -1.994) 6.331 2.884 ( 5.439 -3.173 -2.255) 6.688 3.145 ( -4.784 9.922 4.731) 11.988 3.187 ( 0.343 1.624 -2.425) 2.939 3.314 ( -9.610 6.209 10.898) 15.801 3.531 ( -8.329 -6.619 5.638) 12.041 3.722 ( -8.908 6.675 -0.407) 11.139 3.826 ( -6.146 0.644 0.497) 6.199 4.228 ( -6.411 0.590 3.051) 7.125 4.286 ( -7.641 -3.562 4.927) 9.764 4.515 ( -3.481 0.391 -2.064) 4.066 4.559 ( 0.678 -2.077 0.340) 2.211 4.766 ( -3.474 6.579 -5.403) 9.195 4.834 ( -1.605 1.621 -6.376) 6.772 4.993 ( -1.105 -1.711 0.230) 2.050 5.029 ( -4.632 -4.084 -3.902) 7.305 5.206 ( -1.989 13.423 0.421) 13.576 5.381 ( 0.157 1.218 -1.223) 1.733 5.422 ( 0.403 0.793 0.432) 0.989 5.484 ( -0.087 -4.929 -1.760) 5.234 5.692 ( -3.093 0.217 1.169) 3.314 5.866 ( -3.550 -12.045 2.564) 12.816 5.973 ( -5.132 3.460 -4.603) 7.714 6.145 ( -2.232 -9.692 0.052) 9.945 6.226 ( 0.022 -1.385 0.744) 1.572 6.232 ( 2.473 -2.072 -0.394) 3.250 6.568 ( 2.367 2.903 0.457) 3.774 6.670 ( 0.788 -7.389 2.548) 7.855 6.870 ( 8.810 5.436 -6.880) 12.430 6.975 ( 5.543 -4.440 -4.370) 8.339 7.243 ( 2.271 9.252 -1.120) 9.593 7.341 ( -0.529 -1.152 -3.153) 3.398 7.444 ( 3.481 6.704 -7.592) 10.710 7.626 ( -6.674 -4.856 -0.929) 8.306 7.744 ( -6.754 2.260 1.359) 7.250 7.926 ( 1.934 -10.645 -5.575) 12.171 8.088 ( -5.211 8.112 8.229) 12.676 8.233 ( -6.450 -2.856 8.817) 11.292 8.380 ( 2.413 5.008 0.816) 5.619 8.479 ( 1.241 -2.787 1.979) 3.636 8.708 ( 2.139 10.692 3.974) 11.606 8.936 ( 5.955 -9.338 9.067) 14.314 9.295 ( 14.432 22.897 -8.046) 28.236 9.843 ( 12.891 -26.075 -7.160) 29.956 16.716 ( 3.682 5.002 -1.195) 6.325 16.776 ( 1.429 1.175 -1.005) 2.106 16.858 ( 0.970 -1.903 -0.143) 2.141 16.889 ( 1.725 -3.631 -0.526) 4.054 17.302 ( -3.462 1.596 -0.336) 3.827 17.332 ( -4.428 -1.225 -0.086) 4.595 17.510 ( -4.382 1.970 -1.238) 4.962 17.559 ( -3.936 -2.338 -2.356) 5.148 22.360 ( 0.729 0.980 0.692) 1.404 22.388 ( 1.738 -1.606 1.028) 2.580 22.515 ( 0.448 0.358 1.004) 1.157 22.524 ( 0.241 -0.434 1.341) 1.430 27.259 ( 0.671 2.050 -0.049) 2.157 27.309 ( 0.970 -2.036 -0.261) 2.270 27.351 ( -0.752 1.739 -0.210) 1.907 27.393 ( -1.307 -1.764 -0.013) 2.195 36.938 ( 1.563 3.738 1.843) 4.452 37.009 ( 0.243 -2.201 1.467) 2.657 37.297 ( -4.656 6.309 -2.447) 8.213 37.433 ( -6.539 -5.963 -2.759) 9.270 37.757 ( -0.009 5.121 4.470) 6.797 37.891 ( 0.474 -6.533 5.520) 8.566 39.007 ( -7.865 17.191 -14.237) 23.666 39.364 ( -6.327 -15.543 -13.173) 21.334 ======================= Grid point 155 (79/126) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -13.799 0.000 20.736) 24.908 1.840 ( -6.853 0.000 25.847) 26.739 2.332 ( 11.567 0.000 -14.050) 18.198 2.744 ( 7.412 0.000 -10.251) 12.650 2.796 ( -4.510 0.000 -3.361) 5.625 2.821 ( 0.211 0.000 8.107) 8.109 3.162 ( -11.142 0.000 19.668) 22.604 3.341 ( -1.209 0.000 4.996) 5.140 3.369 ( -4.706 0.000 9.072) 10.220 3.449 ( -0.923 0.000 -1.882) 2.096 3.491 ( 1.922 0.000 3.835) 4.289 3.742 ( 3.271 0.000 12.148) 12.581 3.909 ( 1.442 0.000 -12.666) 12.748 4.274 ( -8.010 0.000 -5.981) 9.997 4.428 ( -2.574 0.000 3.998) 4.755 4.570 ( -4.162 0.000 -1.947) 4.594 4.698 ( 1.204 0.000 -1.115) 1.641 4.709 ( 2.481 0.000 -0.810) 2.609 4.748 ( -0.630 0.000 -2.038) 2.133 4.872 ( -2.396 0.000 -12.821) 13.043 5.156 ( 0.843 0.000 17.357) 17.377 5.289 ( -14.441 0.000 13.073) 19.479 5.528 ( 8.371 0.000 3.220) 8.969 5.534 ( 3.447 0.000 -2.733) 4.399 5.700 ( 5.213 0.000 -2.217) 5.665 5.986 ( 8.090 0.000 -6.250) 10.223 6.155 ( -0.841 0.000 -3.488) 3.588 6.167 ( -0.740 0.000 -9.637) 9.666 6.453 ( -4.789 0.000 0.508) 4.816 6.468 ( 9.733 0.000 -6.062) 11.466 6.631 ( 3.246 0.000 1.538) 3.592 6.726 ( 0.595 0.000 -4.340) 4.381 6.979 ( 16.771 0.000 -0.237) 16.772 7.042 ( -11.986 0.000 1.022) 12.029 7.142 ( 7.487 0.000 -6.770) 10.094 7.212 ( -7.742 0.000 -5.044) 9.240 7.302 ( 4.234 0.000 4.383) 6.094 7.317 ( -6.437 0.000 8.100) 10.346 7.909 ( -5.889 0.000 4.119) 7.186 8.099 ( -1.275 0.000 -5.666) 5.808 8.099 ( 3.567 0.000 1.606) 3.912 8.218 ( 0.913 0.000 -2.965) 3.102 8.296 ( 0.978 0.000 1.792) 2.042 8.312 ( -5.188 0.000 2.547) 5.779 8.518 ( 7.317 0.000 -4.814) 8.758 8.535 ( 6.201 0.000 -3.452) 7.097 9.759 ( 0.825 0.000 16.258) 16.279 10.391 ( -5.808 0.000 -13.148) 14.374 16.624 ( 1.196 0.000 0.275) 1.227 16.660 ( 0.145 0.000 -1.154) 1.163 16.929 ( -1.053 0.000 0.517) 1.173 16.962 ( 0.698 0.000 -0.761) 1.032 17.254 ( -3.257 0.000 -0.459) 3.289 17.259 ( 3.340 0.000 -0.622) 3.398 17.465 ( -0.706 0.000 1.539) 1.693 17.537 ( 0.184 0.000 -2.252) 2.259 22.371 ( 0.400 0.000 1.323) 1.382 22.438 ( -0.310 0.000 -1.672) 1.701 22.564 ( -1.450 0.000 1.677) 2.217 22.630 ( 4.845 0.000 -1.337) 5.027 27.224 ( -0.441 0.000 0.680) 0.810 27.253 ( 0.070 0.000 -0.744) 0.748 27.411 ( -1.677 0.000 0.203) 1.690 27.416 ( 1.420 0.000 -0.079) 1.422 36.889 ( -2.608 0.000 0.560) 2.668 36.901 ( 1.735 0.000 0.078) 1.737 37.163 ( -2.844 0.000 3.853) 4.789 37.391 ( -1.816 0.000 -5.951) 6.222 37.799 ( -2.449 0.000 3.858) 4.569 37.854 ( -5.583 0.000 1.084) 5.687 38.446 ( 3.836 0.000 15.005) 15.487 39.156 ( -9.104 0.000 -17.559) 19.779 ======================= Grid point 156 (80/126) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -6.128 0.000 16.139) 17.263 1.905 ( 5.384 0.000 22.433) 23.070 2.556 ( 15.223 0.000 -11.721) 19.213 2.726 ( 0.534 0.000 -4.629) 4.659 2.846 ( 0.763 0.000 1.600) 1.773 2.878 ( 7.536 0.000 -4.093) 8.576 3.070 ( -5.867 0.000 18.363) 19.278 3.337 ( -0.381 0.000 1.972) 2.008 3.369 ( 2.453 0.000 11.479) 11.738 3.558 ( 9.682 0.000 2.329) 9.958 3.594 ( 6.239 0.000 6.265) 8.842 3.887 ( -0.824 0.000 -5.726) 5.785 3.894 ( 5.855 0.000 14.060) 15.230 4.141 ( -3.019 0.000 -3.584) 4.686 4.416 ( 0.201 0.000 5.513) 5.516 4.536 ( 1.543 0.000 -4.422) 4.683 4.703 ( -0.792 0.000 4.230) 4.304 4.735 ( 3.509 0.000 -3.933) 5.271 4.812 ( 6.842 0.000 -2.446) 7.266 4.863 ( 5.317 0.000 -7.365) 9.084 5.114 ( -7.700 0.000 14.194) 16.148 5.266 ( 4.404 0.000 8.095) 9.215 5.502 ( -4.986 0.000 -4.249) 6.551 5.681 ( 5.543 0.000 1.715) 5.802 5.818 ( 7.863 0.000 -3.148) 8.470 6.110 ( 3.555 0.000 -1.418) 3.827 6.169 ( 6.653 0.000 -13.297) 14.868 6.176 ( 2.209 0.000 -1.516) 2.679 6.308 ( -5.786 0.000 -3.907) 6.982 6.598 ( -7.340 0.000 -6.228) 9.626 6.624 ( 2.485 0.000 -3.824) 4.560 6.711 ( 4.471 0.000 1.257) 4.645 6.943 ( 5.190 0.000 -4.382) 6.793 7.039 ( -8.014 0.000 -5.055) 9.475 7.228 ( 6.618 0.000 -0.733) 6.658 7.248 ( 3.172 0.000 3.073) 4.416 7.332 ( 8.544 0.000 -3.465) 9.220 7.432 ( 7.187 0.000 5.554) 9.083 7.746 ( -12.332 0.000 5.341) 13.439 8.023 ( -7.044 0.000 -1.028) 7.118 8.140 ( 0.993 0.000 -0.744) 1.241 8.200 ( -3.338 0.000 -2.654) 4.264 8.238 ( 0.641 0.000 -1.590) 1.714 8.399 ( 8.177 0.000 -2.175) 8.462 8.609 ( 3.163 0.000 -5.394) 6.253 8.614 ( 2.972 0.000 -1.493) 3.326 9.735 ( -9.529 0.000 16.248) 18.836 10.125 ( -15.588 0.000 -9.906) 18.470 16.659 ( 2.385 0.000 0.050) 2.385 16.663 ( 0.340 0.000 -1.212) 1.259 16.897 ( -2.343 0.000 0.182) 2.350 16.957 ( -0.868 0.000 -0.561) 1.033 17.242 ( 1.996 0.000 -0.938) 2.206 17.335 ( 4.115 0.000 -0.003) 4.115 17.473 ( 1.070 0.000 1.590) 1.917 17.554 ( 2.807 0.000 -2.100) 3.506 22.379 ( -0.089 0.000 1.194) 1.198 22.421 ( -0.761 0.000 -1.680) 1.845 22.540 ( -1.404 0.000 0.613) 1.532 22.687 ( 1.775 0.000 -2.505) 3.070 27.221 ( -0.201 0.000 0.632) 0.663 27.250 ( -0.123 0.000 -0.396) 0.414 27.371 ( -2.603 0.000 0.147) 2.608 27.434 ( 0.409 0.000 0.185) 0.449 36.810 ( -5.121 0.000 0.704) 5.169 36.926 ( 0.995 0.000 -0.662) 1.195 37.153 ( -0.210 0.000 5.230) 5.235 37.397 ( 6.009 0.000 -1.778) 6.267 37.824 ( 2.494 0.000 5.922) 6.426 37.921 ( 9.487 0.000 2.609) 9.840 38.567 ( 3.251 0.000 17.123) 17.429 38.909 ( -10.793 0.000 -15.318) 18.738 ======================= Grid point 157 (81/126) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 4.671 0.000 11.124) 12.065 2.177 ( 15.030 0.000 14.810) 21.101 2.764 ( 10.404 0.000 -11.621) 15.598 2.789 ( 6.618 0.000 -2.193) 6.972 2.860 ( 0.339 0.000 -0.527) 0.627 2.963 ( 2.511 0.000 -0.673) 2.600 3.103 ( 2.381 0.000 18.841) 18.991 3.321 ( -1.795 0.000 -2.556) 3.123 3.471 ( 3.100 0.000 4.210) 5.228 3.701 ( 1.803 0.000 5.458) 5.748 3.763 ( 8.126 0.000 6.195) 10.218 3.923 ( 6.137 0.000 6.595) 9.009 4.038 ( 4.961 0.000 18.250) 18.912 4.127 ( 1.548 0.000 -0.232) 1.565 4.477 ( 3.830 0.000 4.380) 5.818 4.586 ( 6.074 0.000 -6.537) 8.924 4.775 ( 5.906 0.000 7.688) 9.694 4.829 ( 8.274 0.000 -5.088) 9.714 4.962 ( 9.352 0.000 -1.476) 9.468 4.970 ( 7.071 0.000 -5.161) 8.754 5.109 ( 1.976 0.000 13.239) 13.386 5.366 ( 3.640 0.000 3.637) 5.146 5.376 ( -5.435 0.000 -3.988) 6.741 5.754 ( 3.282 0.000 -2.345) 4.033 5.910 ( 0.772 0.000 -1.246) 1.465 6.064 ( -7.753 0.000 -1.450) 7.888 6.130 ( 2.300 0.000 -1.980) 3.035 6.241 ( -1.850 0.000 -10.419) 10.582 6.358 ( -6.135 0.000 0.398) 6.148 6.395 ( 10.051 0.000 -2.457) 10.347 6.732 ( 8.658 0.000 -14.231) 16.658 6.797 ( 3.521 0.000 -1.307) 3.756 6.898 ( -3.303 0.000 -3.886) 5.100 7.080 ( 8.027 0.000 -2.825) 8.510 7.230 ( -6.417 0.000 0.362) 6.428 7.406 ( 12.673 0.000 1.597) 12.773 7.484 ( -6.613 0.000 -1.237) 6.728 7.516 ( 12.616 0.000 -9.435) 15.754 7.603 ( -0.462 0.000 12.641) 12.650 7.815 ( -12.897 0.000 -0.852) 12.925 8.142 ( -0.550 0.000 -2.098) 2.169 8.182 ( 2.277 0.000 -2.091) 3.092 8.237 ( -0.675 0.000 -2.475) 2.565 8.484 ( -0.966 0.000 0.496) 1.086 8.589 ( -3.516 0.000 -3.497) 4.959 8.636 ( -0.411 0.000 0.866) 0.959 9.536 ( -16.322 0.000 13.233) 21.012 9.826 ( -10.532 0.000 -11.012) 15.238 16.665 ( 0.465 0.000 -0.606) 0.764 16.704 ( 1.974 0.000 0.420) 2.018 16.852 ( -2.155 0.000 -0.440) 2.200 16.932 ( -1.338 0.000 -0.668) 1.495 17.297 ( 3.610 0.000 -1.741) 4.008 17.391 ( 1.735 0.000 0.736) 1.885 17.523 ( 3.744 0.000 1.387) 3.993 17.633 ( 5.975 0.000 -2.134) 6.345 22.375 ( -0.611 0.000 0.706) 0.934 22.400 ( -0.843 0.000 -1.572) 1.784 22.520 ( -0.719 0.000 -0.094) 0.726 22.683 ( -0.974 0.000 -2.075) 2.292 27.221 ( 0.080 0.000 0.344) 0.354 27.249 ( 0.157 0.000 0.119) 0.197 27.321 ( -2.650 0.000 0.472) 2.692 27.430 ( -1.026 0.000 0.363) 1.089 36.730 ( -3.449 0.000 0.408) 3.473 36.927 ( -0.580 0.000 -2.511) 2.578 37.188 ( 1.645 0.000 6.638) 6.839 37.597 ( 15.081 0.000 -3.980) 15.598 37.902 ( 2.361 0.000 8.197) 8.530 38.143 ( 9.995 0.000 3.420) 10.564 38.669 ( -6.875 0.000 -13.875) 15.485 38.699 ( 3.954 0.000 18.492) 18.910 ======================= Grid point 158 (82/126) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 12.594 0.000 9.005) 15.482 2.528 ( 16.529 0.000 8.181) 18.442 2.794 ( -2.227 0.000 -3.229) 3.923 2.883 ( 3.738 0.000 -7.969) 8.802 2.936 ( 7.461 0.000 -5.354) 9.183 3.038 ( 5.312 0.000 9.812) 11.158 3.233 ( 2.752 0.000 14.488) 14.747 3.264 ( -2.263 0.000 -3.887) 4.498 3.502 ( 0.466 0.000 3.353) 3.385 3.719 ( -1.942 0.000 7.271) 7.526 3.877 ( 2.338 0.000 9.516) 9.799 4.092 ( 6.338 0.000 9.095) 11.085 4.178 ( 3.675 0.000 0.551) 3.716 4.193 ( 1.877 0.000 15.181) 15.296 4.625 ( 11.776 0.000 1.748) 11.905 4.730 ( 11.073 0.000 -4.185) 11.837 4.915 ( 4.840 0.000 7.698) 9.093 4.991 ( 9.155 0.000 -0.417) 9.164 5.060 ( 6.076 0.000 -12.350) 13.764 5.111 ( 5.550 0.000 -1.484) 5.745 5.251 ( 6.106 0.000 12.689) 14.081 5.304 ( -1.536 0.000 0.863) 1.762 5.433 ( 3.485 0.000 1.911) 3.975 5.784 ( 0.853 0.000 -8.058) 8.103 5.838 ( -6.795 0.000 0.638) 6.825 6.016 ( -11.003 0.000 -2.096) 11.201 6.017 ( 4.137 0.000 3.996) 5.752 6.213 ( 4.497 0.000 -3.473) 5.682 6.381 ( 3.934 0.000 -7.663) 8.613 6.527 ( 3.446 0.000 -3.588) 4.975 6.760 ( -2.460 0.000 -3.626) 4.382 6.818 ( 4.369 0.000 -11.437) 12.243 6.916 ( -8.657 0.000 0.574) 8.676 7.083 ( 4.397 0.000 -3.405) 5.562 7.207 ( 5.846 0.000 0.385) 5.858 7.423 ( 2.590 0.000 -1.955) 3.245 7.504 ( -10.327 0.000 -5.994) 11.941 7.644 ( -2.163 0.000 14.789) 14.946 7.676 ( 12.036 0.000 -4.560) 12.871 7.789 ( 14.738 0.000 -12.663) 19.431 8.095 ( -3.390 0.000 -3.546) 4.905 8.175 ( -5.430 0.000 -1.156) 5.552 8.272 ( 7.108 0.000 2.968) 7.703 8.355 ( -12.487 0.000 7.004) 14.318 8.469 ( -7.063 0.000 -2.059) 7.357 8.616 ( -2.168 0.000 3.466) 4.088 9.258 ( -16.172 0.000 7.847) 17.975 9.644 ( -5.763 0.000 -13.111) 14.322 16.682 ( 1.594 0.000 -0.144) 1.601 16.724 ( -0.343 0.000 1.350) 1.393 16.819 ( -0.941 0.000 -1.155) 1.490 16.909 ( -0.677 0.000 -1.166) 1.348 17.352 ( 2.961 0.000 -1.855) 3.494 17.414 ( 0.519 0.000 0.825) 0.975 17.616 ( 5.155 0.000 1.124) 5.276 17.738 ( 5.482 0.000 -2.064) 5.857 22.365 ( -0.597 0.000 0.136) 0.612 22.380 ( -0.740 0.000 -1.323) 1.516 22.512 ( -0.178 0.000 -0.203) 0.270 22.646 ( -2.087 0.000 -1.449) 2.541 27.228 ( 0.652 0.000 0.084) 0.657 27.258 ( 0.591 0.000 0.479) 0.760 27.284 ( -1.281 0.000 0.645) 1.434 27.398 ( -2.483 0.000 0.412) 2.517 36.683 ( -1.520 0.000 -0.208) 1.534 36.886 ( -2.567 0.000 -2.799) 3.797 37.257 ( 3.033 0.000 6.439) 7.117 37.887 ( 16.482 0.000 -6.647) 17.772 37.960 ( 0.555 0.000 8.912) 8.929 38.151 ( -9.115 0.000 -2.242) 9.387 38.707 ( 14.437 0.000 -6.896) 15.999 38.832 ( 2.518 0.000 18.276) 18.448 ======================= Grid point 159 (83/126) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 12.551 0.000 7.631) 14.688 2.662 ( -3.836 0.000 -7.177) 8.138 2.875 ( 9.675 0.000 8.699) 13.011 2.932 ( 5.096 0.000 -3.814) 6.365 3.039 ( 4.681 0.000 -3.431) 5.804 3.117 ( -3.271 0.000 5.391) 6.306 3.250 ( -3.451 0.000 7.291) 8.067 3.268 ( 4.523 0.000 0.570) 4.559 3.586 ( 5.221 0.000 13.140) 14.140 3.702 ( -2.261 0.000 9.753) 10.012 3.959 ( 3.588 0.000 7.490) 8.305 4.166 ( 0.591 0.000 2.685) 2.749 4.184 ( -6.607 0.000 9.927) 11.925 4.280 ( 4.867 0.000 3.055) 5.747 4.849 ( 6.106 0.000 0.374) 6.117 4.907 ( 5.315 0.000 -0.897) 5.390 5.025 ( 7.293 0.000 0.151) 7.295 5.112 ( 5.099 0.000 -0.381) 5.113 5.154 ( 0.599 0.000 3.256) 3.311 5.190 ( 11.108 0.000 -8.650) 14.079 5.300 ( 1.350 0.000 -1.109) 1.748 5.343 ( -0.339 0.000 5.834) 5.844 5.555 ( 6.176 0.000 5.527) 8.288 5.718 ( -5.247 0.000 4.354) 6.818 5.772 ( 2.826 0.000 -4.679) 5.466 5.865 ( -2.546 0.000 -8.402) 8.779 6.172 ( 7.461 0.000 1.195) 7.556 6.256 ( 0.875 0.000 -2.268) 2.431 6.418 ( 2.557 0.000 -5.389) 5.964 6.470 ( -7.310 0.000 -4.862) 8.780 6.655 ( -8.678 0.000 -3.766) 9.460 6.764 ( 0.304 0.000 2.294) 2.314 6.800 ( -1.984 0.000 -9.336) 9.544 7.212 ( -6.886 0.000 -5.141) 8.594 7.236 ( 7.222 0.000 -0.859) 7.273 7.391 ( 2.754 0.000 1.884) 3.337 7.601 ( -8.674 0.000 16.321) 18.483 7.619 ( 18.273 0.000 -5.039) 18.955 7.779 ( -0.181 0.000 -8.136) 8.139 7.983 ( -4.516 0.000 -1.377) 4.721 7.991 ( -5.846 0.000 -4.847) 7.594 8.064 ( 8.222 0.000 -12.537) 14.993 8.144 ( -11.319 0.000 9.028) 14.478 8.329 ( -1.193 0.000 -4.833) 4.978 8.505 ( 10.985 0.000 8.231) 13.727 8.600 ( -0.475 0.000 6.494) 6.511 9.016 ( -11.069 0.000 2.279) 11.301 9.460 ( -10.046 0.000 -11.062) 14.943 16.708 ( -1.697 0.000 2.161) 2.747 16.725 ( 2.895 0.000 -0.090) 2.896 16.807 ( 0.083 0.000 -1.577) 1.579 16.891 ( -0.856 0.000 -1.770) 1.966 17.397 ( 2.531 0.000 -1.699) 3.049 17.417 ( -0.551 0.000 0.561) 0.786 17.707 ( 3.784 0.000 1.121) 3.947 17.811 ( 2.919 0.000 -2.114) 3.604 22.356 ( -0.319 0.000 -0.192) 0.372 22.363 ( -0.566 0.000 -0.970) 1.123 22.511 ( 0.147 0.000 0.101) 0.179 22.600 ( -2.170 0.000 -1.068) 2.419 27.248 ( 1.337 0.000 0.399) 1.395 27.272 ( 0.670 0.000 0.504) 0.838 27.278 ( 0.499 0.000 0.052) 0.501 27.345 ( -3.062 0.000 0.209) 3.069 36.674 ( 0.860 0.000 -0.743) 1.137 36.822 ( -2.816 0.000 -2.793) 3.966 37.344 ( 3.663 0.000 6.764) 7.692 37.907 ( -12.016 0.000 -1.273) 12.083 37.985 ( -1.273 0.000 7.976) 8.077 38.166 ( 14.120 0.000 -11.689) 18.330 38.903 ( -2.037 0.000 16.280) 16.407 39.006 ( 17.316 0.000 -4.097) 17.794 ======================= Grid point 160 (84/126) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 8.335 0.000 6.410) 10.514 2.539 ( -5.663 0.000 -6.555) 8.662 2.890 ( -11.530 0.000 4.817) 12.495 2.999 ( -6.253 0.000 5.348) 8.228 3.058 ( 4.406 0.000 -2.059) 4.863 3.084 ( 1.643 0.000 1.747) 2.398 3.320 ( 8.160 0.000 3.829) 9.014 3.331 ( 0.577 0.000 1.707) 1.802 3.713 ( -1.277 0.000 9.668) 9.752 3.741 ( 4.265 0.000 15.780) 16.346 4.035 ( -2.976 0.000 -0.150) 2.980 4.090 ( -0.272 0.000 10.801) 10.804 4.193 ( 2.459 0.000 2.738) 3.680 4.355 ( 3.095 0.000 -0.796) 3.196 4.801 ( -8.890 0.000 3.314) 9.488 4.866 ( -7.958 0.000 1.663) 8.129 5.088 ( -3.400 0.000 1.965) 3.927 5.157 ( -0.506 0.000 -1.065) 1.179 5.237 ( 3.401 0.000 -4.676) 5.782 5.324 ( -0.327 0.000 5.458) 5.468 5.336 ( 3.441 0.000 4.650) 5.785 5.406 ( 10.304 0.000 -12.219) 15.984 5.641 ( 3.774 0.000 -0.276) 3.784 5.710 ( 4.368 0.000 -0.964) 4.473 5.877 ( 7.235 0.000 -8.603) 11.241 5.885 ( 5.932 0.000 0.606) 5.962 6.167 ( -2.541 0.000 -7.234) 7.667 6.229 ( -3.161 0.000 -2.725) 4.174 6.403 ( 0.142 0.000 5.489) 5.490 6.434 ( 0.228 0.000 -1.729) 1.744 6.516 ( -5.429 0.000 -5.687) 7.863 6.713 ( -2.091 0.000 -8.783) 9.028 6.814 ( 2.708 0.000 4.997) 5.684 7.041 ( -8.472 0.000 -5.077) 9.877 7.339 ( -4.623 0.000 9.754) 10.794 7.450 ( -4.118 0.000 7.322) 8.400 7.469 ( 1.402 0.000 5.440) 5.618 7.635 ( -11.683 0.000 -2.654) 11.981 7.789 ( -7.060 0.000 -3.405) 7.838 7.826 ( -5.453 0.000 2.751) 6.108 7.952 ( 4.954 0.000 -5.917) 7.717 8.053 ( 4.941 0.000 2.691) 5.626 8.240 ( 10.357 0.000 -14.983) 18.214 8.359 ( 5.901 0.000 -7.348) 9.424 8.702 ( 10.718 0.000 5.809) 12.191 8.737 ( 8.507 0.000 11.034) 13.933 8.856 ( -6.367 0.000 -0.490) 6.385 9.183 ( -15.477 0.000 -7.684) 17.279 16.683 ( -1.778 0.000 2.483) 3.054 16.783 ( 3.017 0.000 -0.879) 3.143 16.808 ( 0.629 0.000 -0.938) 1.129 16.864 ( -1.153 0.000 -2.288) 2.562 17.396 ( -1.822 0.000 0.307) 1.847 17.434 ( 1.944 0.000 -1.510) 2.462 17.756 ( 0.881 0.000 1.182) 1.474 17.829 ( -0.227 0.000 -2.328) 2.339 22.351 ( -0.181 0.000 -0.264) 0.320 22.352 ( -0.360 0.000 -0.550) 0.657 22.519 ( 0.481 0.000 0.704) 0.853 22.560 ( -1.774 0.000 -0.799) 1.945 27.271 ( 0.616 0.000 0.819) 1.025 27.273 ( -1.597 0.000 0.684) 1.737 27.304 ( -0.290 0.000 -0.654) 0.715 27.308 ( 2.750 0.000 -0.681) 2.833 36.709 ( 3.096 0.000 -1.139) 3.299 36.770 ( -1.359 0.000 -3.149) 3.429 37.445 ( 4.075 0.000 8.533) 9.456 37.694 ( -9.573 0.000 -1.683) 9.720 37.966 ( -3.347 0.000 5.893) 6.778 38.352 ( 10.031 0.000 -12.345) 15.907 38.862 ( -7.993 0.000 13.294) 15.512 39.293 ( 14.594 0.000 -5.544) 15.611 ======================= Grid point 161 (85/126) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 3.488 0.000 6.886) 7.719 2.418 ( -4.766 0.000 -4.724) 6.711 2.614 ( -17.724 0.000 4.749) 18.349 2.851 ( -9.476 0.000 5.714) 11.065 3.102 ( -0.920 0.000 2.721) 2.873 3.109 ( -0.927 0.000 -1.520) 1.781 3.333 ( 0.327 0.000 0.949) 1.004 3.445 ( 2.455 0.000 -3.022) 3.893 3.671 ( -6.359 0.000 5.204) 8.217 3.787 ( -5.122 0.000 17.094) 17.845 3.996 ( 2.065 0.000 0.758) 2.200 4.178 ( 3.067 0.000 7.099) 7.733 4.304 ( 6.616 0.000 5.841) 8.826 4.400 ( 2.215 0.000 -2.981) 3.714 4.596 ( -13.849 0.000 5.811) 15.019 4.726 ( -4.376 0.000 -0.757) 4.441 4.970 ( -8.464 0.000 0.556) 8.483 5.096 ( -5.096 0.000 -2.237) 5.565 5.141 ( -8.592 0.000 0.321) 8.598 5.340 ( -3.258 0.000 0.380) 3.280 5.379 ( 0.217 0.000 4.025) 4.031 5.517 ( 5.045 0.000 -5.779) 7.671 5.674 ( -2.226 0.000 -3.919) 4.507 5.832 ( 7.051 0.000 -6.860) 9.837 5.928 ( 5.538 0.000 -3.310) 6.452 6.023 ( 6.814 0.000 -3.284) 7.564 6.099 ( -6.606 0.000 -11.897) 13.608 6.227 ( 4.084 0.000 -3.137) 5.149 6.349 ( -4.988 0.000 -2.781) 5.711 6.410 ( -2.085 0.000 1.194) 2.403 6.442 ( -4.190 0.000 6.552) 7.777 6.725 ( 5.451 0.000 -5.788) 7.951 6.879 ( -5.105 0.000 -1.048) 5.212 6.892 ( 3.559 0.000 9.841) 10.465 7.117 ( -14.238 0.000 15.378) 20.957 7.338 ( -13.823 0.000 -2.226) 14.001 7.487 ( -2.571 0.000 0.336) 2.592 7.534 ( 3.806 0.000 -3.142) 4.935 7.708 ( -6.848 0.000 3.142) 7.534 7.775 ( 4.797 0.000 -1.393) 4.995 7.968 ( 2.746 0.000 2.612) 3.790 8.216 ( 6.397 0.000 1.018) 6.477 8.315 ( 2.904 0.000 -13.318) 13.630 8.462 ( 6.676 0.000 -5.968) 8.955 8.743 ( -4.749 0.000 -0.086) 4.749 8.845 ( -17.065 0.000 -5.368) 17.889 8.912 ( 5.079 0.000 12.760) 13.734 9.058 ( 24.657 0.000 -1.326) 24.693 16.659 ( -1.642 0.000 2.225) 2.766 16.800 ( 0.029 0.000 -1.979) 1.980 16.840 ( -0.149 0.000 -2.492) 2.497 16.845 ( 2.448 0.000 0.289) 2.465 17.354 ( -2.625 0.000 0.287) 2.641 17.456 ( 0.807 0.000 -1.337) 1.561 17.747 ( -2.244 0.000 1.064) 2.484 17.788 ( -3.077 0.000 -2.682) 4.082 22.347 ( -0.160 0.000 -0.106) 0.192 22.347 ( 0.035 0.000 -0.046) 0.058 22.529 ( -1.192 0.000 -0.521) 1.301 22.534 ( 0.758 0.000 1.454) 1.640 27.241 ( -1.280 0.000 0.258) 1.305 27.278 ( -0.137 0.000 0.304) 0.333 27.311 ( 0.892 0.000 -1.047) 1.376 27.366 ( 3.301 0.000 -0.403) 3.326 36.752 ( 0.794 0.000 -3.580) 3.667 36.775 ( 4.011 0.000 -1.213) 4.190 37.541 ( 1.241 0.000 11.086) 11.155 37.541 ( -5.956 0.000 -1.730) 6.202 37.919 ( -2.231 0.000 3.419) 4.082 38.455 ( 5.939 0.000 -13.532) 14.778 38.700 ( -13.452 0.000 10.199) 16.881 39.503 ( 10.300 0.000 -9.587) 14.071 ======================= Grid point 162 (86/126) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -13.289 0.000 -8.775) 15.925 2.308 ( -9.121 0.000 11.324) 14.540 2.341 ( -6.379 0.000 11.115) 12.815 2.736 ( -3.425 0.000 2.940) 4.514 3.031 ( -4.361 0.000 -6.032) 7.443 3.048 ( -6.444 0.000 3.065) 7.136 3.352 ( 0.555 0.000 3.497) 3.541 3.390 ( -4.499 0.000 -2.669) 5.232 3.546 ( -7.313 0.000 2.710) 7.799 3.768 ( -2.246 0.000 7.828) 8.144 4.001 ( -5.892 0.000 8.325) 10.199 4.217 ( -4.571 0.000 -0.209) 4.576 4.298 ( -6.638 0.000 -1.472) 6.799 4.380 ( -7.124 0.000 11.328) 13.382 4.514 ( 7.344 0.000 3.025) 7.942 4.740 ( 5.426 0.000 -7.037) 8.886 4.812 ( -7.503 0.000 -0.837) 7.549 4.959 ( -10.709 0.000 2.311) 10.955 4.968 ( -7.097 0.000 -1.819) 7.326 5.251 ( -4.978 0.000 -2.963) 5.793 5.346 ( -5.066 0.000 6.736) 8.429 5.539 ( -2.003 0.000 -1.472) 2.486 5.561 ( -7.762 0.000 -0.179) 7.764 5.805 ( -9.101 0.000 -8.042) 12.145 5.900 ( -3.238 0.000 -10.090) 10.596 6.089 ( 7.339 0.000 4.894) 8.821 6.128 ( -9.800 0.000 -5.142) 11.067 6.142 ( 5.172 0.000 -6.489) 8.298 6.302 ( -0.131 0.000 -4.291) 4.293 6.326 ( -7.605 0.000 10.841) 13.243 6.395 ( 1.035 0.000 -4.678) 4.791 6.706 ( -3.209 0.000 1.342) 3.479 6.940 ( -6.434 0.000 9.706) 11.645 6.951 ( 2.161 0.000 -1.504) 2.633 7.127 ( 11.601 0.000 10.007) 15.321 7.165 ( 3.452 0.000 -2.593) 4.318 7.467 ( 0.882 0.000 -3.158) 3.278 7.532 ( -0.861 0.000 -2.881) 3.007 7.598 ( -5.861 0.000 1.543) 6.060 7.883 ( 5.945 0.000 0.870) 6.008 8.073 ( 5.818 0.000 1.501) 6.009 8.274 ( -1.653 0.000 -11.968) 12.082 8.307 ( 2.749 0.000 4.911) 5.628 8.510 ( -1.251 0.000 -1.239) 1.761 8.531 ( -13.482 0.000 -4.502) 14.214 8.657 ( -5.010 0.000 1.753) 5.308 9.077 ( 8.825 0.000 12.279) 15.122 9.559 ( 28.778 0.000 -6.685) 29.544 16.636 ( -1.470 0.000 1.560) 2.143 16.781 ( -1.474 0.000 -1.437) 2.058 16.847 ( 1.775 0.000 -2.213) 2.837 16.885 ( 1.774 0.000 0.028) 1.774 17.303 ( -2.760 0.000 0.361) 2.783 17.453 ( -0.640 0.000 -1.094) 1.267 17.683 ( -4.850 0.000 0.693) 4.900 17.703 ( -4.441 0.000 -3.009) 5.364 22.345 ( -0.049 0.000 0.267) 0.272 22.356 ( 1.026 0.000 0.497) 1.140 22.511 ( -0.618 0.000 -0.217) 0.655 22.556 ( 0.717 0.000 2.138) 2.255 27.231 ( 0.100 0.000 -0.119) 0.155 27.269 ( -0.816 0.000 0.089) 0.821 27.327 ( 1.303 0.000 -1.242) 1.800 27.419 ( 2.236 0.000 -0.247) 2.250 36.772 ( 2.507 0.000 -3.673) 4.447 36.840 ( 3.157 0.000 -0.790) 3.254 37.455 ( -2.594 0.000 -2.425) 3.551 37.520 ( -7.426 0.000 9.522) 12.076 37.961 ( 5.188 0.000 5.258) 7.387 38.445 ( -16.432 0.000 7.516) 18.069 38.477 ( 1.502 0.000 -15.009) 15.084 39.600 ( 4.497 0.000 -15.533) 16.170 ======================= Grid point 163 (87/126) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -10.956 0.000 2.192) 11.173 2.082 ( -18.342 0.000 16.878) 24.925 2.299 ( -1.801 0.000 1.868) 2.595 2.705 ( -0.972 0.000 -3.715) 3.840 2.903 ( -9.253 0.000 6.971) 11.585 2.946 ( -1.767 0.000 -7.459) 7.666 3.320 ( -2.387 0.000 0.237) 2.399 3.381 ( 0.134 0.000 6.142) 6.144 3.444 ( -3.520 0.000 2.147) 4.123 3.720 ( -4.752 0.000 0.263) 4.759 3.811 ( -17.825 0.000 14.449) 22.945 3.977 ( -16.191 0.000 4.512) 16.808 4.142 ( -7.882 0.000 -5.784) 9.777 4.438 ( 4.255 0.000 3.672) 5.620 4.566 ( -2.826 0.000 -2.635) 3.864 4.697 ( -4.295 0.000 1.134) 4.442 4.782 ( 0.549 0.000 -9.128) 9.145 4.789 ( -7.142 0.000 3.077) 7.777 4.836 ( -6.088 0.000 -2.899) 6.743 5.158 ( -3.982 0.000 -4.912) 6.324 5.270 ( -6.509 0.000 11.510) 13.223 5.395 ( -9.367 0.000 6.762) 11.553 5.444 ( -4.300 0.000 -1.936) 4.716 5.625 ( -4.823 0.000 -5.114) 7.030 5.847 ( 0.715 0.000 -5.594) 5.639 5.856 ( -15.889 0.000 4.882) 16.622 6.188 ( 2.075 0.000 -2.104) 2.955 6.215 ( 6.042 0.000 -8.584) 10.497 6.311 ( 2.667 0.000 7.403) 7.869 6.367 ( -2.578 0.000 -8.003) 8.408 6.384 ( 7.825 0.000 -0.494) 7.840 6.685 ( -0.134 0.000 3.102) 3.105 6.839 ( -6.250 0.000 5.458) 8.297 6.915 ( 1.428 0.000 -5.635) 5.813 7.277 ( -0.937 0.000 1.996) 2.205 7.336 ( 5.926 0.000 2.553) 6.453 7.476 ( -0.339 0.000 -0.093) 0.352 7.491 ( -5.690 0.000 -0.965) 5.771 7.625 ( 11.684 0.000 5.663) 12.984 8.006 ( 8.430 0.000 -3.642) 9.183 8.143 ( -0.032 0.000 0.643) 0.643 8.195 ( -1.731 0.000 -10.852) 10.989 8.335 ( -3.490 0.000 -5.766) 6.740 8.368 ( 0.908 0.000 6.226) 6.292 8.427 ( -6.465 0.000 1.862) 6.728 8.560 ( -6.159 0.000 4.549) 7.657 9.333 ( 12.803 0.000 11.875) 17.462 10.049 ( 25.340 0.000 -10.605) 27.470 16.618 ( -0.924 0.000 1.044) 1.394 16.733 ( -2.884 0.000 -1.126) 3.096 16.887 ( 2.958 0.000 -1.772) 3.448 16.914 ( 1.314 0.000 0.162) 1.324 17.256 ( -2.236 0.000 0.165) 2.242 17.423 ( -2.323 0.000 -0.838) 2.469 17.579 ( -5.946 0.000 0.482) 5.966 17.614 ( -3.510 0.000 -3.045) 4.646 22.348 ( 0.210 0.000 0.741) 0.770 22.393 ( 2.614 0.000 0.393) 2.643 22.506 ( 0.210 0.000 0.285) 0.354 22.573 ( 0.189 0.000 2.538) 2.545 27.239 ( 0.749 0.000 -0.493) 0.897 27.251 ( -1.058 0.000 0.206) 1.078 27.352 ( 1.776 0.000 -1.003) 2.040 27.443 ( 0.359 0.000 -0.069) 0.366 36.814 ( 3.109 0.000 -3.074) 4.372 36.884 ( 1.617 0.000 -0.033) 1.617 37.377 ( -9.442 0.000 6.108) 11.245 37.420 ( -0.009 0.000 -3.853) 3.853 38.081 ( -1.882 0.000 7.310) 7.548 38.194 ( -6.350 0.000 7.338) 9.704 38.383 ( -6.421 0.000 -15.468) 16.748 39.552 ( -2.603 0.000 -20.430) 20.596 ======================= Grid point 164 (88/126) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -18.456 0.000 20.442) 27.541 1.904 ( -7.035 0.000 15.019) 16.585 2.269 ( 0.629 0.000 -9.243) 9.265 2.684 ( 1.905 0.000 -7.384) 7.626 2.808 ( -4.007 0.000 12.743) 13.358 2.889 ( -2.428 0.000 -7.062) 7.468 3.283 ( -3.510 0.000 3.862) 5.219 3.356 ( -2.741 0.000 4.500) 5.269 3.459 ( 1.194 0.000 4.572) 4.725 3.494 ( -17.504 0.000 16.035) 23.739 3.600 ( -8.895 0.000 -2.432) 9.221 3.743 ( -8.967 0.000 10.642) 13.916 3.981 ( -4.899 0.000 -11.637) 12.626 4.441 ( -7.266 0.000 -5.354) 9.026 4.466 ( -1.741 0.000 0.621) 1.848 4.675 ( 0.982 0.000 -0.983) 1.390 4.693 ( -6.667 0.000 -3.171) 7.382 4.726 ( -3.029 0.000 -5.614) 6.379 4.746 ( 0.900 0.000 1.864) 2.070 5.013 ( -7.052 0.000 -11.365) 13.375 5.156 ( -9.161 0.000 21.550) 23.416 5.365 ( 2.761 0.000 5.590) 6.235 5.453 ( 4.624 0.000 -3.021) 5.523 5.577 ( -15.808 0.000 7.047) 17.308 5.614 ( 3.478 0.000 1.189) 3.676 5.883 ( 5.081 0.000 -6.260) 8.062 6.196 ( -0.426 0.000 -4.542) 4.561 6.256 ( -3.913 0.000 -10.858) 11.542 6.322 ( 7.472 0.000 -5.208) 9.107 6.435 ( 5.208 0.000 3.624) 6.345 6.523 ( 7.087 0.000 5.883) 9.210 6.707 ( 1.650 0.000 -0.786) 1.828 6.790 ( 1.291 0.000 0.603) 1.425 6.988 ( 7.377 0.000 -5.233) 9.045 7.245 ( -0.274 0.000 1.041) 1.077 7.304 ( -9.133 0.000 -2.628) 9.503 7.368 ( -6.708 0.000 -3.170) 7.419 7.420 ( -6.859 0.000 10.146) 12.247 7.865 ( 8.748 0.000 6.018) 10.618 8.088 ( -3.850 0.000 1.700) 4.209 8.137 ( -0.307 0.000 -6.272) 6.279 8.177 ( 8.415 0.000 -9.680) 12.826 8.307 ( -0.961 0.000 1.452) 1.742 8.336 ( -1.766 0.000 1.027) 2.043 8.429 ( 5.109 0.000 -1.969) 5.475 8.478 ( -3.698 0.000 4.493) 5.820 9.600 ( 9.585 0.000 14.058) 17.015 10.378 ( 12.646 0.000 -13.810) 18.726 16.611 ( -0.038 0.000 0.686) 0.687 16.679 ( -2.006 0.000 -0.890) 2.195 16.933 ( 0.414 0.000 0.444) 0.607 16.935 ( 2.460 0.000 -1.248) 2.759 17.230 ( -0.137 0.000 -0.385) 0.408 17.348 ( -5.304 0.000 -0.823) 5.368 17.492 ( -3.024 0.000 1.123) 3.226 17.557 ( -1.455 0.000 -2.697) 3.064 22.358 ( 0.453 0.000 1.140) 1.227 22.437 ( 1.423 0.000 -1.303) 1.929 22.540 ( 3.732 0.000 0.802) 3.817 22.578 ( -0.708 0.000 2.423) 2.524 27.234 ( -0.813 0.000 0.485) 0.946 27.250 ( 0.559 0.000 -0.757) 0.942 27.385 ( 1.896 0.000 -0.506) 1.962 27.435 ( -0.986 0.000 0.210) 1.008 36.861 ( 2.706 0.000 -1.553) 3.120 36.903 ( 0.335 0.000 0.585) 0.674 37.239 ( -6.785 0.000 4.296) 8.031 37.417 ( 1.128 0.000 -5.960) 6.066 37.903 ( -9.970 0.000 3.824) 10.678 38.115 ( -15.943 0.000 -9.926) 18.780 38.306 ( 5.748 0.000 12.437) 13.701 39.378 ( -7.219 0.000 -20.300) 21.546 ======================= Grid point 165 (89/126) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -11.632 12.574 20.001) 26.333 1.997 ( -6.970 12.900 21.772) 26.249 2.447 ( 9.960 9.034 -13.440) 19.011 2.631 ( -3.732 -10.180 8.403) 13.717 2.770 ( 4.439 0.473 -4.481) 6.325 2.866 ( 0.149 1.504 -7.716) 7.863 3.205 ( -2.631 -0.648 11.107) 11.432 3.253 ( -3.082 -0.819 9.529) 10.049 3.391 ( -5.620 0.702 8.062) 9.853 3.464 ( -3.687 1.575 0.018) 4.010 3.602 ( 3.986 7.969 6.113) 10.806 3.798 ( 2.212 4.292 11.397) 12.378 3.960 ( -0.199 4.471 -12.233) 13.026 4.243 ( -7.633 -3.890 -0.182) 8.569 4.335 ( -5.221 -5.496 -1.715) 7.772 4.553 ( 0.917 -7.911 -4.558) 9.176 4.629 ( -2.162 4.174 -3.965) 6.150 4.735 ( 2.187 4.492 -6.329) 8.063 4.848 ( 3.426 4.285 2.333) 5.962 4.959 ( -2.701 5.519 -3.891) 7.273 5.190 ( 0.155 2.882 14.054) 14.347 5.309 ( -13.098 2.213 12.298) 18.103 5.514 ( 7.508 -1.071 0.248) 7.588 5.526 ( 4.431 -0.920 -0.962) 4.626 5.720 ( 1.282 -0.954 -2.816) 3.238 5.913 ( 7.114 -5.303 -4.592) 9.991 5.998 ( -1.725 -8.781 -1.863) 9.141 6.194 ( -2.993 -2.315 -6.410) 7.443 6.393 ( 3.955 -4.016 -0.683) 5.678 6.471 ( 3.895 -0.819 -4.370) 5.911 6.586 ( 2.728 -6.461 -0.919) 7.073 6.657 ( 3.540 -1.987 -5.483) 6.822 6.962 ( -1.112 -1.518 4.860) 5.212 7.104 ( 8.362 3.379 -1.871) 9.210 7.171 ( 0.997 -2.231 0.504) 2.495 7.193 ( 5.598 3.167 -3.499) 7.322 7.234 ( -9.385 1.329 -3.760) 10.197 7.360 ( -2.607 0.327 0.489) 2.672 7.846 ( -7.911 -11.412 3.568) 14.337 8.002 ( -4.217 7.691 7.448) 11.507 8.117 ( 7.540 -10.686 -8.923) 15.833 8.280 ( -0.285 0.040 1.312) 1.344 8.339 ( 2.171 6.092 0.245) 6.472 8.398 ( 5.485 11.609 -6.616) 14.444 8.533 ( -7.754 8.388 7.194) 13.500 8.835 ( 8.527 17.449 -5.860) 20.286 9.632 ( 0.754 -11.213 14.839) 18.614 10.207 ( -3.433 -15.824 -11.682) 19.967 16.657 ( 1.539 3.007 0.025) 3.378 16.690 ( -0.340 2.570 -1.219) 2.865 16.911 ( -0.969 -1.626 0.539) 1.968 16.946 ( 0.285 -1.639 -0.880) 1.882 17.250 ( -0.678 0.049 -0.189) 0.706 17.266 ( 1.005 0.329 -0.875) 1.373 17.462 ( -0.657 -0.187 1.270) 1.442 17.521 ( 0.137 -1.342 -1.858) 2.296 22.376 ( 0.426 0.487 1.177) 1.344 22.433 ( -0.185 -0.500 -1.362) 1.462 22.560 ( -1.019 -0.339 1.477) 1.826 22.605 ( 3.752 -1.825 -0.417) 4.193 27.240 ( 0.118 1.395 0.639) 1.539 27.268 ( -0.550 1.290 -0.760) 1.595 27.389 ( -0.319 -1.799 0.318) 1.854 27.399 ( -0.139 -1.545 -0.154) 1.559 36.918 ( -1.210 2.932 1.242) 3.406 36.973 ( 0.625 4.511 -1.073) 4.679 37.167 ( -1.835 0.652 2.952) 3.536 37.355 ( -1.520 -2.906 -4.393) 5.483 37.831 ( 4.362 3.647 4.815) 7.450 37.976 ( -9.899 8.441 -1.945) 13.154 38.434 ( 2.316 0.154 12.033) 12.255 39.074 ( -8.957 -7.399 -16.648) 20.301 ======================= Grid point 166 (90/126) ======================= q-point: ( 0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -4.713 15.418 16.879) 23.341 2.031 ( 3.686 10.472 18.530) 21.601 2.581 ( 6.345 -4.480 -3.192) 8.398 2.660 ( 4.874 0.428 -0.649) 4.935 2.799 ( 0.660 -3.378 1.880) 3.922 2.905 ( 5.235 2.416 -10.647) 12.108 3.158 ( -3.930 0.943 9.960) 10.749 3.283 ( 3.139 3.518 10.233) 11.267 3.345 ( -1.286 -1.859 3.800) 4.421 3.548 ( 9.246 -0.502 3.174) 9.788 3.743 ( 6.499 9.324 8.406) 14.136 3.880 ( -1.178 0.263 0.831) 1.466 3.952 ( 3.154 4.117 7.880) 9.434 4.175 ( 0.160 2.211 -2.303) 3.196 4.266 ( 1.446 -9.936 0.349) 10.047 4.531 ( -0.907 -0.948 -1.024) 1.664 4.640 ( 4.180 -2.507 -6.774) 8.345 4.807 ( 6.095 7.709 -1.645) 9.964 4.923 ( 3.815 5.129 -2.065) 6.717 4.964 ( 4.346 6.078 1.216) 7.571 5.159 ( -6.284 5.004 10.789) 13.451 5.259 ( 2.877 0.121 8.188) 8.680 5.482 ( -6.244 -2.254 -4.518) 8.030 5.666 ( 5.860 -1.701 1.628) 6.315 5.770 ( 5.319 -5.527 -2.040) 7.937 6.009 ( 3.955 -7.303 0.219) 8.308 6.087 ( 9.651 -5.551 -4.185) 11.894 6.124 ( -1.707 -4.449 -5.363) 7.175 6.368 ( -2.159 3.680 -5.907) 7.287 6.529 ( -3.147 -5.134 -7.316) 9.476 6.599 ( 2.739 -2.819 -1.838) 4.339 6.712 ( 3.932 -1.145 -0.623) 4.142 6.945 ( 4.436 1.485 -3.859) 6.064 7.047 ( -7.667 0.926 -4.396) 8.886 7.204 ( 1.510 -1.257 1.005) 2.207 7.237 ( 2.011 -2.814 1.835) 3.915 7.328 ( 9.215 -0.316 -3.976) 10.042 7.403 ( 7.086 0.299 -1.074) 7.173 7.719 ( -6.303 -5.583 1.346) 8.527 7.958 ( -2.982 2.892 6.377) 7.610 8.178 ( 1.212 -4.136 -4.076) 5.932 8.267 ( -10.030 9.757 5.795) 15.146 8.318 ( 2.017 0.937 -1.356) 2.605 8.462 ( 0.249 -0.684 0.531) 0.901 8.509 ( 7.543 7.886 -7.812) 13.421 8.898 ( 0.228 16.575 -4.039) 17.061 9.606 ( -8.939 -11.366 14.475) 20.460 10.003 ( -12.077 -10.698 -10.385) 19.187 16.681 ( 0.623 1.847 -1.214) 2.296 16.687 ( 0.782 2.325 -0.104) 2.455 16.878 ( -2.523 -1.717 0.312) 3.068 16.932 ( -1.356 -2.220 -0.433) 2.637 17.259 ( 2.675 1.414 -0.826) 3.136 17.335 ( 4.294 -0.067 -0.162) 4.297 17.473 ( 1.520 0.088 1.231) 1.958 17.541 ( 3.066 -1.077 -1.797) 3.714 22.383 ( -0.174 0.351 0.969) 1.045 22.418 ( -0.787 -0.319 -1.427) 1.661 22.543 ( -0.990 0.328 0.522) 1.166 22.655 ( 1.644 -2.520 -1.490) 3.358 27.236 ( -0.700 1.246 0.173) 1.440 27.263 ( 0.160 1.205 0.059) 1.217 27.352 ( -2.496 -1.588 0.186) 2.964 27.415 ( 0.517 -1.716 0.305) 1.818 36.851 ( -5.146 3.673 1.386) 6.472 36.979 ( -0.160 2.980 -1.312) 3.260 37.200 ( 3.417 3.529 3.099) 5.808 37.373 ( 5.449 -2.127 -1.479) 6.034 37.865 ( -1.635 5.905 0.833) 6.183 38.004 ( 11.150 5.913 5.403) 13.729 38.534 ( 2.982 -2.720 15.687) 16.198 38.832 ( -10.655 -6.900 -14.388) 19.187 ======================= Grid point 167 (91/126) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 4.109 16.973 12.270) 21.343 2.253 ( 12.896 6.430 11.901) 18.689 2.690 ( 4.052 -7.548 8.237) 11.884 2.745 ( 6.185 -2.474 -8.293) 10.637 2.852 ( 3.217 -0.956 -0.787) 3.447 2.932 ( 2.463 0.543 -7.028) 7.467 3.181 ( 1.547 -0.397 11.425) 11.536 3.338 ( 0.484 -2.575 -2.386) 3.544 3.403 ( 3.230 4.681 7.891) 9.726 3.735 ( 3.454 -0.097 6.564) 7.418 3.789 ( 2.087 2.638 2.727) 4.330 3.935 ( 3.842 -0.806 10.124) 10.858 4.068 ( 6.309 3.220 13.375) 15.134 4.161 ( -0.681 3.167 0.758) 3.326 4.433 ( 11.490 -5.172 0.657) 12.617 4.547 ( 3.815 0.653 -2.430) 4.570 4.720 ( 5.984 -2.688 -1.890) 6.826 4.926 ( 6.359 6.804 1.851) 9.495 5.009 ( 5.913 1.018 -3.204) 6.802 5.076 ( 5.837 5.312 -1.465) 8.027 5.158 ( 2.436 7.818 8.242) 11.618 5.342 ( 3.176 -1.557 2.722) 4.463 5.371 ( -1.960 -0.460 -0.277) 2.032 5.748 ( 2.956 -1.287 0.864) 3.337 5.842 ( 2.546 -5.268 -0.946) 5.926 6.012 ( -5.315 -4.059 -2.769) 7.239 6.096 ( 3.309 -3.503 -1.993) 5.214 6.280 ( 9.159 -1.699 -7.198) 11.772 6.305 ( -6.216 2.036 -3.162) 7.265 6.418 ( 2.324 1.155 -2.270) 3.448 6.681 ( 6.750 -4.800 -8.424) 11.814 6.766 ( 1.284 -3.825 -1.970) 4.491 6.913 ( -2.228 1.440 -6.183) 6.728 7.087 ( 6.615 -3.386 -2.658) 7.892 7.129 ( -4.707 -1.343 -1.036) 5.003 7.361 ( 5.522 -4.497 1.276) 7.234 7.492 ( 4.329 1.195 -1.989) 4.911 7.517 ( 12.439 -2.047 -4.522) 13.393 7.647 ( -1.498 6.402 1.461) 6.736 7.934 ( -1.685 -3.338 4.116) 5.560 7.995 ( -14.178 9.347 2.561) 17.174 8.214 ( 0.032 0.075 0.444) 0.451 8.360 ( 2.012 0.041 -2.551) 3.250 8.426 ( -5.750 -5.365 2.536) 8.263 8.597 ( 3.602 5.310 -4.723) 7.968 8.828 ( -6.003 15.051 -2.987) 16.477 9.413 ( -16.279 -10.616 12.654) 23.191 9.758 ( -8.104 -6.505 -12.469) 16.231 16.678 ( 0.054 1.207 -0.754) 1.424 16.712 ( 1.058 0.857 0.320) 1.399 16.830 ( -2.367 -1.934 -0.281) 3.070 16.899 ( -1.746 -2.765 -0.439) 3.299 17.320 ( 3.562 1.841 -1.072) 4.150 17.397 ( 2.108 0.246 0.615) 2.209 17.535 ( 4.715 1.176 0.682) 4.908 17.627 ( 6.350 -0.535 -2.021) 6.686 22.377 ( -0.658 0.144 0.475) 0.824 22.397 ( -0.868 -0.281 -1.373) 1.649 22.529 ( -0.536 0.820 -0.100) 0.985 22.658 ( -0.656 -2.146 -1.482) 2.689 27.225 ( -0.315 0.406 -0.063) 0.518 27.269 ( 0.259 1.599 0.546) 1.709 27.306 ( -2.331 -1.206 0.421) 2.658 27.414 ( -0.842 -1.443 0.499) 1.744 36.767 ( -4.057 3.555 1.696) 5.655 36.957 ( -1.676 1.633 -1.758) 2.927 37.269 ( 2.402 5.962 3.854) 7.495 37.558 ( 13.888 -3.508 -3.341) 14.708 37.879 ( 1.421 1.449 2.725) 3.398 38.255 ( 10.683 7.896 6.796) 14.922 38.576 ( -6.412 -7.614 -8.963) 13.394 38.682 ( 3.798 -2.454 12.963) 13.729 ======================= Grid point 168 (92/126) ======================= q-point: ( 0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 10.003 14.978 9.074) 20.168 2.545 ( 12.613 0.754 4.466) 13.401 2.762 ( 1.346 -2.383 5.395) 6.049 2.841 ( 6.472 -4.217 -4.640) 9.011 2.902 ( 4.769 -1.116 -3.603) 6.080 3.000 ( 4.692 -1.359 1.778) 5.199 3.214 ( -2.066 -1.664 3.189) 4.148 3.399 ( 0.065 -6.648 0.880) 6.706 3.411 ( 2.613 8.681 7.436) 11.725 3.738 ( -2.503 1.203 7.688) 8.174 3.865 ( 1.288 -0.849 10.564) 10.676 4.089 ( 5.956 -1.269 11.766) 13.248 4.170 ( 1.998 -0.118 2.376) 3.107 4.215 ( 1.698 1.072 10.969) 11.151 4.579 ( 5.615 -1.262 0.687) 5.796 4.700 ( 12.398 -3.625 -6.345) 14.391 4.840 ( 6.385 -3.612 1.293) 7.448 5.019 ( 2.031 -5.335 0.936) 5.785 5.119 ( 2.134 2.270 -4.926) 5.829 5.148 ( 8.850 7.340 0.535) 11.510 5.277 ( 4.576 8.691 3.502) 10.428 5.389 ( 3.702 -2.653 -1.509) 4.798 5.443 ( 6.323 7.582 7.489) 12.391 5.795 ( 0.811 -2.663 1.781) 3.305 5.862 ( -4.174 2.543 -2.115) 5.326 5.909 ( 0.864 -1.845 -4.013) 4.501 6.097 ( -1.152 0.330 -1.404) 1.845 6.234 ( 1.904 2.669 -3.716) 4.956 6.374 ( 3.828 0.785 -5.519) 6.762 6.514 ( 4.352 -1.450 -3.302) 5.652 6.731 ( -0.976 -3.318 -3.096) 4.642 6.786 ( 3.899 -5.374 -6.026) 8.966 6.891 ( -3.686 -1.020 -4.945) 6.252 6.985 ( -1.014 -5.949 -3.691) 7.074 7.258 ( 7.599 -0.263 1.747) 7.802 7.386 ( 1.994 2.294 -2.603) 4.001 7.541 ( -3.092 3.971 0.856) 5.105 7.589 ( -3.822 -2.983 -2.124) 5.293 7.764 ( 7.360 2.879 0.685) 7.933 7.851 ( 5.566 7.342 -4.924) 10.447 7.985 ( 6.750 -3.056 0.163) 7.411 8.171 ( -6.265 -3.977 5.941) 9.506 8.286 ( -6.924 -0.979 2.392) 7.391 8.394 ( 1.921 -0.112 -2.283) 2.986 8.598 ( -4.272 -1.000 3.297) 5.488 8.663 ( -8.227 17.890 -5.318) 20.397 9.126 ( -16.837 -10.873 8.768) 21.876 9.600 ( -5.177 -4.846 -13.847) 15.558 16.685 ( 0.982 0.410 -0.037) 1.065 16.717 ( -0.839 -0.376 1.068) 1.409 16.792 ( -1.328 -2.177 -1.015) 2.745 16.872 ( -0.854 -3.110 -0.998) 3.375 17.377 ( 2.901 1.946 -0.889) 3.605 17.429 ( 1.200 0.988 0.640) 1.681 17.640 ( 5.670 2.081 0.310) 6.048 17.740 ( 5.826 0.022 -2.065) 6.181 22.365 ( -0.592 0.057 -0.006) 0.595 22.377 ( -0.699 -0.210 -1.176) 1.384 22.521 ( -0.258 0.863 -0.239) 0.932 22.628 ( -1.735 -1.504 -1.176) 2.580 27.227 ( 0.674 0.076 -0.032) 0.679 27.274 ( -0.862 0.107 0.823) 1.196 27.276 ( 0.075 0.528 0.327) 0.626 27.386 ( -2.229 -1.045 0.516) 2.515 36.714 ( -2.144 2.978 1.326) 3.902 36.905 ( -2.966 1.047 -1.488) 3.480 37.326 ( 2.261 5.526 3.605) 6.975 37.795 ( 8.806 -8.064 -1.990) 12.105 37.932 ( 5.341 1.266 -0.474) 5.509 38.234 ( -9.537 3.364 -0.817) 10.146 38.677 ( 15.963 -1.533 -1.897) 16.148 38.826 ( 4.509 -1.007 15.288) 15.971 ======================= Grid point 169 (93/126) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 9.912 10.661 6.651) 16.004 2.637 ( -1.292 -2.307 -4.937) 5.600 2.855 ( 4.561 -0.535 6.462) 7.928 2.956 ( 4.662 -4.792 -2.310) 7.073 3.010 ( 7.225 3.751 -1.091) 8.214 3.070 ( 0.367 -3.560 4.266) 5.568 3.167 ( -2.002 -3.351 2.194) 4.478 3.320 ( -3.650 -0.473 2.956) 4.720 3.598 ( 8.784 0.793 11.108) 14.183 3.714 ( -2.153 1.467 8.806) 9.183 3.936 ( 2.183 -0.483 11.214) 11.434 4.156 ( 0.625 -0.731 4.326) 4.431 4.189 ( -6.510 -0.329 7.140) 9.668 4.283 ( 5.480 0.032 6.747) 8.692 4.705 ( 5.132 -7.566 3.024) 9.629 4.870 ( 5.781 -6.160 -6.583) 10.710 4.947 ( 4.059 -4.756 -0.382) 6.265 5.047 ( 2.549 -8.974 -0.448) 9.339 5.119 ( 0.583 3.730 -0.406) 3.797 5.271 ( 1.045 5.875 -0.178) 5.969 5.359 ( 9.223 4.825 -4.160) 11.209 5.508 ( 4.592 6.247 4.321) 8.876 5.624 ( 10.202 6.464 3.685) 12.627 5.705 ( -8.193 1.943 1.366) 8.531 5.782 ( -0.849 2.693 -7.379) 7.901 5.956 ( 2.431 4.112 0.005) 4.777 6.152 ( 5.918 -0.592 -2.551) 6.472 6.263 ( 1.683 -0.055 -2.970) 3.414 6.392 ( -0.019 -0.362 -4.616) 4.630 6.515 ( -2.483 1.569 -1.107) 3.139 6.689 ( -8.679 0.447 -4.456) 9.766 6.712 ( -0.487 -2.509 -0.181) 2.563 6.837 ( 0.018 1.964 -8.859) 9.074 6.978 ( -1.111 -9.772 -1.934) 10.023 7.344 ( 0.130 -2.890 -0.434) 2.925 7.432 ( -2.180 -0.623 -1.607) 2.779 7.536 ( 2.774 2.074 2.376) 4.201 7.594 ( 13.152 -0.992 -2.903) 13.505 7.754 ( -4.674 6.647 10.949) 13.635 7.931 ( -10.570 -4.710 5.108) 12.649 8.087 ( 13.313 4.311 -13.641) 19.542 8.162 ( -6.388 1.919 2.151) 7.009 8.240 ( 9.409 3.173 -5.815) 11.507 8.359 ( -11.230 3.646 3.073) 12.201 8.512 ( 4.783 2.325 1.195) 5.450 8.587 ( -1.079 2.652 2.803) 4.006 8.886 ( -10.456 -10.795 3.173) 15.360 9.417 ( -9.985 -4.623 -11.636) 16.015 16.694 ( -1.738 -1.031 1.694) 2.637 16.716 ( 2.066 -0.561 0.629) 2.231 16.771 ( -0.434 -2.689 -1.602) 3.160 16.854 ( -0.683 -3.011 -1.649) 3.500 17.423 ( 2.187 2.104 -0.621) 3.097 17.446 ( 0.543 2.071 0.089) 2.143 17.734 ( 3.840 2.207 0.380) 4.445 17.819 ( 3.179 0.470 -2.195) 3.891 22.356 ( -0.309 0.038 -0.260) 0.405 22.362 ( -0.495 -0.079 -0.856) 0.992 22.518 ( -0.048 0.590 -0.002) 0.592 22.590 ( -1.889 -0.945 -0.923) 2.306 27.249 ( 1.438 0.087 0.327) 1.477 27.271 ( 0.409 -0.270 0.446) 0.663 27.284 ( 0.444 0.584 0.110) 0.742 27.339 ( -2.758 -0.542 0.249) 2.822 36.699 ( 0.203 2.373 0.776) 2.505 36.845 ( -2.555 1.407 -1.542) 3.300 37.381 ( 2.171 3.255 4.217) 5.753 37.796 ( -5.539 -6.778 -0.678) 8.779 38.046 ( -1.187 2.048 2.631) 3.539 38.145 ( 6.912 -1.184 -7.191) 10.045 38.915 ( 1.906 1.046 13.096) 13.275 39.000 ( 15.045 -0.611 -1.348) 15.118 ======================= Grid point 170 (94/126) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 6.965 7.279 5.202) 11.339 2.552 ( -4.686 1.007 -5.818) 7.538 2.872 ( -8.622 -1.232 6.445) 10.835 2.962 ( -5.934 -3.051 4.751) 8.191 3.021 ( 0.137 -4.293 -0.659) 4.346 3.070 ( 1.240 -0.767 0.134) 1.464 3.242 ( 3.732 -4.076 5.683) 7.927 3.322 ( 2.176 -2.026 1.070) 3.160 3.714 ( 0.609 0.966 8.971) 9.044 3.813 ( 6.892 3.842 10.379) 13.038 4.004 ( -1.646 -1.349 4.031) 4.558 4.098 ( -1.320 0.950 9.855) 9.988 4.201 ( 2.825 0.918 4.280) 5.210 4.376 ( 2.786 1.426 1.530) 3.483 4.684 ( -7.976 -6.765 3.652) 11.078 4.864 ( -3.878 -2.804 -3.922) 6.187 5.001 ( 4.794 -10.015 -1.077) 11.155 5.088 ( -1.946 -3.457 2.319) 4.595 5.195 ( 5.964 -1.167 2.872) 6.721 5.280 ( -0.343 3.700 -8.153) 8.960 5.464 ( -2.109 5.377 -3.161) 6.584 5.575 ( 1.906 8.592 5.097) 10.170 5.595 ( 4.409 0.387 -1.527) 4.682 5.719 ( 2.263 -3.958 -9.730) 10.746 5.872 ( 3.643 5.217 1.463) 6.529 5.979 ( 3.270 4.487 -1.316) 5.706 6.198 ( -1.891 1.581 -3.449) 4.239 6.274 ( 2.100 2.683 -3.482) 4.872 6.385 ( 1.129 -1.777 -0.912) 2.294 6.450 ( -5.745 3.841 2.457) 7.334 6.537 ( -3.427 -1.185 -5.272) 6.398 6.698 ( 0.739 -0.328 -3.934) 4.016 6.803 ( -0.674 -1.493 -2.088) 2.654 6.936 ( -3.392 -6.308 -2.038) 7.446 7.292 ( -6.754 -4.959 2.261) 8.679 7.372 ( 0.874 0.500 -2.874) 3.046 7.605 ( -10.161 3.511 12.489) 16.479 7.634 ( -2.639 3.180 3.677) 5.531 7.766 ( -2.249 5.319 6.490) 8.687 7.925 ( 8.694 0.592 -2.736) 9.134 8.023 ( 0.393 -2.250 2.656) 3.503 8.150 ( -7.840 10.905 -5.195) 14.401 8.298 ( 8.772 3.836 -12.239) 15.539 8.317 ( 4.052 2.219 -6.940) 8.337 8.673 ( 8.319 -3.244 3.657) 9.649 8.679 ( 7.311 -5.151 8.342) 12.230 8.758 ( -2.177 -7.323 -0.371) 7.649 9.141 ( -15.000 -4.386 -8.572) 17.824 16.668 ( -1.748 -1.106 2.264) 3.067 16.758 ( 0.558 -3.617 0.558) 3.702 16.769 ( 2.100 -1.195 -1.605) 2.901 16.833 ( -0.795 -2.491 -2.139) 3.378 17.437 ( -0.756 3.015 0.142) 3.111 17.463 ( 1.413 2.160 -1.102) 2.806 17.779 ( 0.625 1.856 0.523) 2.027 17.840 ( 0.009 0.802 -2.427) 2.556 22.351 ( -0.161 0.042 -0.295) 0.338 22.352 ( -0.320 0.041 -0.482) 0.580 22.521 ( 0.272 0.200 0.545) 0.641 22.554 ( -1.549 -0.494 -0.668) 1.757 27.272 ( -1.396 -0.013 0.805) 1.611 27.273 ( 0.560 0.046 0.690) 0.889 27.300 ( 0.253 -0.132 -0.597) 0.662 27.310 ( 2.094 0.032 -0.778) 2.234 36.725 ( 2.078 1.772 0.392) 2.759 36.809 ( -0.251 2.566 -2.324) 3.471 37.439 ( 1.844 -0.066 6.175) 6.445 37.666 ( -6.071 -2.437 -2.182) 6.897 37.997 ( -4.090 2.412 4.557) 6.581 38.267 ( 6.146 -6.342 -7.668) 11.696 38.933 ( -3.602 5.410 9.110) 11.191 39.263 ( 13.025 -2.755 -4.219) 13.965 ======================= Grid point 171 (95/126) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -0.771 3.862 3.358) 5.175 2.464 ( -0.688 4.181 -1.993) 4.682 2.650 ( -15.280 3.098 6.822) 17.018 2.814 ( -8.943 -2.834 3.771) 10.111 3.041 ( -0.695 -6.026 2.085) 6.414 3.090 ( -0.634 -3.164 3.783) 4.973 3.261 ( -1.956 -4.051 1.608) 4.777 3.349 ( -0.747 -4.822 -1.130) 5.009 3.741 ( -1.326 3.482 3.008) 4.789 3.870 ( -7.217 5.069 9.521) 12.978 3.979 ( 4.965 -0.497 3.159) 5.905 4.213 ( 3.500 2.497 8.754) 9.753 4.282 ( 3.068 -0.462 5.157) 6.018 4.400 ( -0.311 -0.149 1.182) 1.232 4.549 ( -4.522 -0.695 -0.580) 4.611 4.761 ( -4.091 0.349 -1.979) 4.558 5.000 ( -7.580 2.522 2.239) 8.296 5.066 ( -0.383 -4.260 -1.486) 4.528 5.179 ( -2.821 -8.350 -10.270) 13.533 5.244 ( -4.515 3.350 3.720) 6.741 5.372 ( -3.840 3.106 1.333) 5.115 5.612 ( -1.009 2.462 3.570) 4.453 5.702 ( -1.965 2.321 -3.475) 4.617 5.771 ( 4.908 -5.259 -2.098) 7.494 5.837 ( 5.256 0.309 -9.586) 10.937 6.053 ( 0.832 -1.043 -2.050) 2.446 6.157 ( -1.426 1.049 -0.467) 1.831 6.218 ( -4.877 2.184 -6.226) 8.205 6.346 ( -4.874 1.637 -4.965) 7.147 6.381 ( -3.542 -0.052 3.545) 5.012 6.525 ( 1.941 1.980 2.102) 3.480 6.732 ( -0.047 -5.584 -2.483) 6.111 6.800 ( -1.902 -5.445 2.503) 6.287 6.869 ( 2.460 0.536 -1.119) 2.755 7.159 ( -7.647 7.051 5.501) 11.766 7.409 ( -3.690 6.972 4.128) 8.904 7.417 ( -4.169 -1.371 1.980) 4.814 7.533 ( -3.328 -3.189 -0.890) 4.695 7.779 ( -3.542 6.094 3.860) 8.036 7.886 ( -3.703 5.856 3.452) 7.741 8.115 ( 5.630 12.559 -2.061) 13.917 8.203 ( 7.438 -1.043 -0.989) 7.575 8.368 ( 4.413 -3.478 -5.502) 7.864 8.389 ( 5.706 1.046 -9.539) 11.164 8.664 ( -3.430 -5.467 -1.411) 6.606 8.779 ( -7.787 -6.685 3.280) 10.774 8.862 ( -3.792 -3.667 4.734) 7.088 9.007 ( 21.475 -4.964 -3.191) 22.271 16.646 ( -1.460 -0.955 2.191) 2.800 16.758 ( 0.059 -3.410 -0.617) 3.466 16.810 ( 0.929 -2.065 -1.342) 2.632 16.820 ( 1.467 -1.855 -1.161) 2.634 17.410 ( -1.991 4.000 -0.186) 4.472 17.476 ( 0.240 1.480 -1.044) 1.827 17.759 ( -2.862 1.160 0.266) 3.100 17.804 ( -2.790 1.090 -2.509) 3.907 22.347 ( -0.145 0.053 -0.125) 0.199 22.348 ( 0.020 0.082 -0.052) 0.099 22.528 ( -0.992 -0.101 -0.337) 1.053 22.532 ( 0.575 -0.183 1.238) 1.378 27.241 ( -1.348 0.112 0.275) 1.380 27.285 ( 0.431 0.071 0.185) 0.474 27.306 ( 0.587 0.056 -0.881) 1.060 27.363 ( 3.107 -0.302 -0.528) 3.166 36.765 ( 1.981 1.942 -0.243) 2.784 36.829 ( 3.272 3.488 -2.795) 5.539 37.464 ( -2.263 -2.754 5.310) 6.395 37.594 ( -1.196 0.625 1.066) 1.720 37.932 ( -3.555 1.378 3.025) 4.867 38.300 ( -0.416 -9.695 -4.883) 10.863 38.858 ( -6.052 10.215 2.293) 12.092 39.446 ( 8.603 -5.104 -8.297) 12.997 ======================= Grid point 172 (96/126) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -7.121 1.449 5.327) 9.010 2.384 ( -13.776 7.479 2.697) 15.906 2.460 ( -4.496 7.532 6.347) 10.827 2.711 ( -1.904 -1.886 1.408) 3.027 3.003 ( -2.841 -4.185 -1.912) 5.407 3.055 ( -5.771 -2.839 5.634) 8.550 3.206 ( -2.946 -5.601 -1.303) 6.461 3.305 ( -2.732 -5.998 1.864) 6.849 3.640 ( -8.183 5.732 1.306) 10.076 3.813 ( -2.439 1.454 3.056) 4.172 4.053 ( -1.764 4.486 8.563) 9.827 4.152 ( -10.222 -1.633 3.311) 10.869 4.337 ( 3.284 2.472 3.670) 5.510 4.430 ( -6.508 1.261 0.585) 6.655 4.493 ( 3.766 0.066 -0.873) 3.867 4.758 ( 3.567 1.230 -4.793) 6.100 4.844 ( -8.747 2.456 -2.014) 9.306 4.964 ( -6.327 2.472 1.412) 6.938 5.103 ( -10.072 6.714 1.638) 12.215 5.126 ( -2.299 -8.302 -3.978) 9.489 5.334 ( -2.132 -3.631 3.549) 5.507 5.496 ( -9.219 0.307 -4.885) 10.438 5.594 ( -5.950 -0.499 4.717) 7.609 5.819 ( -3.520 -0.188 -2.517) 4.331 5.873 ( -3.290 1.583 -5.947) 6.979 6.012 ( -5.649 -7.795 -0.374) 9.634 6.099 ( 2.440 -0.303 -2.751) 3.689 6.215 ( 4.826 1.225 -1.752) 5.278 6.250 ( -1.883 2.522 -4.068) 5.144 6.326 ( -1.972 2.248 3.579) 4.664 6.481 ( -6.529 1.751 -1.695) 6.969 6.700 ( -6.248 -2.759 1.769) 7.056 6.821 ( 8.136 -10.329 3.489) 13.603 6.871 ( -2.846 -6.344 -1.052) 7.032 7.071 ( -6.776 6.971 5.019) 10.940 7.345 ( 2.884 2.487 -1.572) 4.119 7.438 ( -3.086 -2.357 2.564) 4.654 7.609 ( 13.468 12.455 0.042) 18.344 7.705 ( -3.629 4.219 -1.105) 5.674 7.866 ( 0.856 2.847 0.342) 2.993 8.202 ( 1.770 6.176 -1.679) 6.640 8.292 ( 1.532 1.459 6.687) 7.014 8.359 ( 0.439 4.772 -9.118) 10.301 8.458 ( -5.791 -3.628 -2.064) 7.138 8.517 ( -1.858 -0.906 -5.261) 5.652 8.662 ( -2.093 1.000 0.751) 2.438 8.963 ( 6.996 -9.918 14.083) 18.592 9.441 ( 25.257 -10.340 -6.359) 28.022 16.628 ( -1.109 -0.419 1.730) 2.097 16.753 ( -0.519 -1.898 -0.528) 2.037 16.822 ( 1.884 -2.220 -1.969) 3.515 16.858 ( 2.035 -1.994 -0.215) 2.857 17.363 ( -2.854 4.260 -0.302) 5.137 17.463 ( -1.197 0.692 -0.857) 1.627 17.679 ( -5.245 0.351 -0.433) 5.274 17.723 ( -4.804 0.971 -2.330) 5.427 22.346 ( 0.004 0.088 0.243) 0.258 22.356 ( 0.841 -0.059 0.412) 0.938 22.514 ( -0.468 0.252 0.000) 0.532 22.550 ( 0.612 -0.497 1.890) 2.048 27.227 ( -0.268 0.016 -0.061) 0.275 27.291 ( 0.131 0.987 -0.090) 0.999 27.315 ( 0.871 -0.440 -1.066) 1.445 27.412 ( 2.079 -0.654 -0.388) 2.214 36.804 ( 2.526 3.002 -0.905) 4.026 36.890 ( 3.718 3.704 -2.476) 5.803 37.418 ( -3.413 -1.809 2.883) 4.820 37.556 ( -4.917 1.637 2.642) 5.817 37.927 ( 2.079 -2.452 3.405) 4.683 38.218 ( -6.822 -9.889 0.183) 12.015 38.739 ( -5.723 13.193 -5.977) 15.574 39.518 ( 3.044 -7.279 -13.816) 15.910 ======================= Grid point 173 (97/126) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -14.138 5.430 17.015) 22.779 2.177 ( -8.125 11.179 2.706) 14.082 2.385 ( -3.149 7.088 1.086) 7.832 2.703 ( -0.015 -0.433 -2.912) 2.944 2.908 ( -10.172 -3.000 3.594) 11.197 2.950 ( -1.137 -1.340 -5.177) 5.467 3.174 ( -0.957 -4.664 2.330) 5.300 3.283 ( -1.065 -8.693 5.222) 10.197 3.516 ( -5.268 5.220 4.547) 8.699 3.745 ( -5.682 0.651 0.081) 5.720 3.926 ( -15.487 3.572 6.826) 17.297 3.950 ( -10.785 5.597 7.426) 14.241 4.259 ( -8.909 6.502 -5.669) 12.401 4.425 ( 4.061 -0.143 -0.480) 4.092 4.513 ( -2.056 -4.631 -3.926) 6.410 4.652 ( -9.796 -2.085 -1.954) 10.204 4.776 ( -0.568 1.042 0.497) 1.287 4.907 ( -8.383 3.185 0.950) 9.018 4.917 ( -3.026 9.022 -2.888) 9.944 5.056 ( -3.061 -5.130 -3.136) 6.747 5.274 ( -5.635 -4.768 6.050) 9.544 5.376 ( -2.302 3.882 0.526) 4.544 5.473 ( -7.813 -0.987 5.655) 9.695 5.671 ( -7.190 0.122 -1.609) 7.369 5.782 ( -2.161 -1.127 -4.488) 5.107 5.854 ( -9.391 1.320 3.313) 10.045 6.188 ( 0.337 0.201 -1.341) 1.397 6.240 ( 1.720 -9.446 -2.831) 10.009 6.272 ( 4.272 3.431 -1.981) 5.827 6.355 ( 1.391 0.543 -4.251) 4.506 6.414 ( 3.812 2.429 -1.152) 4.665 6.601 ( -5.002 -4.154 5.382) 8.441 6.792 ( 0.111 -6.887 -4.639) 8.304 6.975 ( -2.668 4.355 1.310) 5.273 7.044 ( 8.433 -8.374 5.932) 13.282 7.343 ( -3.746 -3.510 0.243) 5.140 7.380 ( -2.586 -1.321 -0.573) 2.960 7.641 ( -3.549 6.387 -4.771) 8.727 7.850 ( 7.634 -1.371 -4.106) 8.776 7.951 ( 7.706 13.779 7.672) 17.553 8.159 ( -5.576 -1.183 -2.618) 6.272 8.252 ( -3.286 -2.072 2.662) 4.709 8.345 ( 0.058 5.662 -5.843) 8.137 8.405 ( 3.156 5.972 -2.935) 7.365 8.489 ( -1.488 3.208 -0.981) 3.669 8.637 ( -1.564 7.693 6.352) 10.098 9.212 ( 12.940 -10.852 11.944) 20.685 9.872 ( 22.429 -15.317 -8.973) 28.604 16.619 ( -0.292 0.607 1.226) 1.399 16.735 ( -1.148 0.306 -0.710) 1.384 16.864 ( 3.017 -2.292 -1.541) 4.090 16.893 ( 1.818 -1.650 -0.129) 2.458 17.303 ( -3.291 3.549 -0.303) 4.850 17.424 ( -2.822 -0.040 -0.590) 2.883 17.573 ( -5.545 -0.139 -0.222) 5.551 17.618 ( -4.754 0.056 -2.601) 5.419 22.350 ( 0.312 0.212 0.694) 0.790 22.386 ( 2.139 -0.580 0.430) 2.257 22.511 ( 0.211 0.482 0.450) 0.692 22.566 ( 0.201 -0.672 2.240) 2.348 27.227 ( 0.253 -0.017 -0.134) 0.286 27.289 ( -0.226 2.142 -0.252) 2.168 27.334 ( 1.501 -1.376 -0.870) 2.215 27.433 ( 0.272 -0.892 -0.250) 0.965 36.851 ( 2.567 3.377 -0.423) 4.263 36.941 ( 2.527 4.260 -2.184) 5.413 37.344 ( -6.428 -1.504 4.439) 7.955 37.467 ( -2.951 2.440 -2.985) 4.855 37.943 ( -5.400 -7.721 2.336) 9.708 38.130 ( -0.314 -4.854 7.637) 9.055 38.590 ( -7.312 13.851 -11.124) 19.211 39.457 ( -3.147 -8.345 -18.336) 20.390 ======================= Grid point 174 (98/126) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -14.891 9.559 18.944) 25.923 2.073 ( -7.153 14.010 15.259) 21.915 2.364 ( 2.651 7.856 -8.612) 11.955 2.689 ( -1.633 -2.721 1.638) 3.571 2.754 ( -4.622 -2.987 -1.820) 5.796 2.911 ( -1.211 0.122 -6.312) 6.428 3.181 ( -0.038 -2.285 7.371) 7.717 3.281 ( -1.668 -8.657 4.661) 9.972 3.469 ( -4.265 3.864 11.587) 12.938 3.608 ( -7.552 4.029 1.263) 8.652 3.648 ( -14.253 4.431 5.541) 15.921 3.800 ( -6.205 5.651 7.613) 11.331 4.068 ( -7.207 6.518 -10.527) 14.326 4.411 ( -8.405 -2.228 -0.061) 8.695 4.425 ( -3.004 -4.691 -4.700) 7.288 4.542 ( 0.872 -6.171 -5.280) 8.168 4.732 ( -6.589 2.760 -0.030) 7.144 4.765 ( -2.273 3.430 -1.669) 4.440 4.837 ( -3.398 4.732 -4.818) 7.560 5.026 ( -0.777 1.175 -2.150) 2.570 5.178 ( -6.595 2.077 15.372) 16.855 5.389 ( 3.363 1.253 0.468) 3.619 5.427 ( 0.865 -2.114 3.141) 3.884 5.552 ( -9.074 -0.482 3.492) 9.735 5.701 ( -1.731 3.038 1.924) 3.991 5.818 ( 4.234 -1.738 -4.228) 6.230 6.105 ( -6.193 -7.253 -4.290) 10.458 6.257 ( 0.774 -2.882 -2.339) 3.792 6.320 ( 1.272 0.544 -9.412) 9.513 6.395 ( 4.691 -3.541 4.414) 7.350 6.523 ( 5.101 -9.588 -0.844) 10.893 6.597 ( 3.329 2.921 0.507) 4.458 6.840 ( 6.590 -0.030 -2.489) 7.045 6.999 ( 4.490 2.346 0.160) 5.069 7.151 ( 1.326 -5.360 3.419) 6.494 7.242 ( -6.089 -1.807 -0.803) 6.402 7.346 ( -1.496 -2.989 0.388) 3.365 7.492 ( -9.671 6.877 -4.122) 12.562 7.972 ( 4.278 -11.093 -3.831) 12.492 7.994 ( -2.581 -5.378 0.704) 6.007 8.054 ( -3.758 7.658 5.986) 10.421 8.262 ( 2.636 4.509 0.254) 5.229 8.318 ( -0.473 4.901 -3.949) 6.312 8.382 ( -2.470 6.432 -0.049) 6.890 8.603 ( 2.885 8.266 2.935) 9.234 8.647 ( 7.402 15.978 -1.759) 17.697 9.479 ( 9.529 -10.676 13.194) 19.465 10.171 ( 11.864 -17.810 -11.443) 24.267 16.629 ( 1.031 2.043 0.604) 2.367 16.709 ( -1.142 2.281 -0.924) 2.713 16.908 ( 1.362 -2.107 -0.118) 2.512 16.926 ( 1.917 -1.259 -0.937) 2.477 17.250 ( -1.554 1.751 -0.428) 2.380 17.343 ( -5.359 -0.448 -0.601) 5.411 17.490 ( -2.945 -0.111 0.729) 3.036 17.545 ( -2.005 -1.037 -2.356) 3.263 22.362 ( 0.568 0.393 1.056) 1.262 22.426 ( 1.598 -0.967 -0.780) 2.024 22.535 ( 2.444 -0.177 0.975) 2.637 22.571 ( -0.434 -0.601 2.043) 2.174 27.233 ( 0.337 0.505 0.199) 0.639 27.281 ( -0.452 2.109 -0.560) 2.228 27.363 ( 1.750 -1.816 -0.363) 2.548 27.423 ( -1.137 -1.102 -0.025) 1.584 36.895 ( 2.050 3.183 0.637) 3.839 36.969 ( 1.048 4.580 -1.540) 4.945 37.233 ( -5.951 -0.263 3.572) 6.946 37.416 ( -1.826 -0.875 -5.734) 6.081 37.822 ( -5.053 -2.492 3.615) 6.694 38.161 ( -4.411 -2.750 3.896) 6.496 38.411 ( -5.187 12.150 -2.656) 13.475 39.288 ( -7.030 -7.992 -18.750) 21.560 ======================= Grid point 175 (99/126) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -8.613 13.461 17.136) 23.431 2.244 ( -8.030 -0.225 14.091) 16.220 2.439 ( -5.021 2.549 11.412) 12.726 2.615 ( 2.265 -1.415 0.694) 2.759 2.744 ( 2.872 1.812 -3.626) 4.968 2.854 ( 3.606 -4.456 -6.035) 8.323 3.160 ( 2.570 2.263 -2.098) 4.016 3.242 ( 4.064 -3.517 -1.822) 5.675 3.485 ( -6.763 4.745 12.324) 14.837 3.516 ( -7.231 2.059 5.218) 9.152 3.746 ( 3.759 6.277 7.342) 10.365 3.864 ( 2.088 -1.480 8.446) 8.825 4.083 ( -3.777 6.097 -9.312) 11.754 4.151 ( -10.128 -1.096 0.671) 10.209 4.264 ( -0.805 -1.718 -4.118) 4.534 4.353 ( 3.261 -8.892 -11.925) 15.229 4.767 ( -4.199 6.937 2.614) 8.520 4.871 ( 0.288 -2.045 6.035) 6.379 4.915 ( 4.606 10.346 -3.162) 11.758 5.056 ( 2.007 0.605 -2.457) 3.230 5.261 ( -1.520 4.908 8.436) 9.877 5.404 ( -6.353 5.831 6.215) 10.630 5.443 ( 6.195 -7.909 -0.957) 10.091 5.499 ( 1.809 -2.191 0.074) 2.842 5.592 ( -3.993 -3.348 -2.227) 5.667 5.714 ( -1.451 -11.306 1.122) 11.454 5.977 ( 1.224 4.695 -2.239) 5.344 6.090 ( -3.884 -5.670 -2.988) 7.494 6.307 ( 6.514 -2.000 0.277) 6.820 6.372 ( 5.876 -6.917 3.073) 9.582 6.536 ( 3.268 2.674 -7.941) 8.994 6.609 ( 3.150 -3.175 -6.018) 7.498 6.981 ( 2.122 2.827 2.883) 4.561 7.052 ( 3.252 -3.497 1.514) 5.010 7.209 ( 1.485 1.776 -3.111) 3.878 7.228 ( -2.405 -0.234 -3.567) 4.309 7.357 ( 1.717 6.196 -4.902) 8.085 7.383 ( -8.273 1.725 -2.668) 8.862 7.677 ( -2.964 -1.504 0.885) 3.440 7.834 ( 9.470 -12.821 -7.746) 17.722 8.194 ( -6.031 7.495 8.204) 12.643 8.285 ( -4.677 -0.993 4.683) 6.693 8.443 ( 2.537 3.952 -0.124) 4.698 8.500 ( 1.729 -0.659 -2.039) 2.753 8.878 ( -3.725 19.516 8.367) 21.558 9.231 ( 3.906 6.726 0.739) 7.813 9.341 ( 3.384 -2.680 2.005) 4.759 9.773 ( 2.059 -22.582 -10.173) 24.853 16.739 ( 1.221 3.780 -0.622) 4.020 16.755 ( -0.354 2.708 -1.194) 2.981 16.866 ( -0.736 -1.973 0.401) 2.144 16.888 ( -0.145 -3.316 -0.584) 3.370 17.259 ( -0.015 0.605 -0.316) 0.683 17.269 ( 0.548 -0.163 -0.733) 0.930 17.464 ( -0.427 0.530 0.394) 0.787 17.487 ( -0.081 -1.521 -0.842) 1.740 22.392 ( 0.430 0.981 0.662) 1.259 22.416 ( 0.198 -1.066 -0.359) 1.142 22.556 ( 0.063 0.117 1.029) 1.037 22.570 ( 1.581 -1.218 0.554) 2.072 27.281 ( 1.019 2.269 0.446) 2.527 27.303 ( -1.316 1.527 -0.571) 2.095 27.343 ( 0.733 -2.022 0.312) 2.173 27.357 ( -1.656 -2.119 -0.255) 2.701 36.991 ( -0.936 3.110 1.618) 3.629 37.030 ( -0.737 0.065 0.632) 0.973 37.206 ( -0.413 3.003 -0.293) 3.045 37.282 ( -0.916 -3.622 -2.478) 4.482 37.946 ( 5.683 6.318 6.254) 10.551 38.060 ( 0.352 -2.410 4.140) 4.803 38.558 ( -6.527 11.941 -4.024) 14.191 38.849 ( -8.803 -12.876 -13.511) 20.635 ======================= Grid point 176 (100/126) ======================= q-point: ( 0.10 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -1.068 15.502 16.406) 22.596 2.235 ( 1.871 -0.769 12.431) 12.595 2.426 ( -0.074 1.445 12.039) 12.125 2.623 ( -0.688 -8.291 4.499) 9.458 2.813 ( 4.512 4.156 -4.383) 7.539 2.893 ( 2.194 -3.217 -4.822) 6.198 3.173 ( -0.776 3.859 -3.995) 5.608 3.272 ( -0.353 -4.161 -3.349) 5.353 3.470 ( 2.458 7.455 12.713) 14.941 3.545 ( 7.481 -0.329 7.126) 10.337 3.863 ( 1.951 1.730 5.429) 6.023 3.910 ( -5.013 0.107 4.646) 6.836 4.033 ( -0.523 1.585 3.632) 3.997 4.072 ( 8.775 -2.627 -0.915) 9.206 4.286 ( 4.383 6.117 -3.796) 8.428 4.431 ( 8.039 -6.548 -8.443) 13.371 4.714 ( -2.109 8.145 1.859) 8.616 4.903 ( 0.166 -6.525 5.484) 8.525 5.025 ( 6.204 11.027 0.160) 12.654 5.112 ( 5.047 6.157 -3.882) 8.857 5.221 ( -1.324 -0.616 3.922) 4.185 5.313 ( -6.374 -6.116 1.670) 8.990 5.425 ( -1.687 6.966 3.431) 7.947 5.590 ( 6.403 -4.102 1.840) 7.823 5.661 ( 5.770 -1.929 1.842) 6.357 5.778 ( 6.221 -12.306 1.579) 13.879 6.017 ( 2.769 -1.160 -3.784) 4.831 6.035 ( 1.798 -2.824 -4.032) 5.241 6.412 ( 3.953 0.291 -1.053) 4.101 6.466 ( 2.923 -2.363 -4.590) 5.933 6.534 ( 0.154 1.524 -4.532) 4.784 6.637 ( 1.355 -5.167 -4.784) 7.170 7.025 ( 3.660 4.602 -2.543) 6.406 7.089 ( -6.309 2.016 -5.808) 8.809 7.132 ( 3.366 -2.523 2.389) 4.837 7.187 ( -5.099 -3.172 -1.562) 6.205 7.335 ( 5.679 0.933 -4.356) 7.218 7.381 ( 4.019 -2.981 -1.942) 5.367 7.724 ( 5.774 8.502 -3.314) 10.798 7.977 ( 7.115 -12.530 -5.734) 15.508 8.115 ( -5.590 7.767 8.647) 12.898 8.233 ( -2.869 -3.062 5.068) 6.580 8.450 ( -4.260 1.680 2.896) 5.418 8.466 ( -5.698 0.026 2.757) 6.330 8.826 ( -2.097 19.859 1.484) 20.025 9.227 ( -4.570 -5.966 4.721) 8.875 9.337 ( -3.383 6.097 -3.626) 7.859 9.696 ( -5.397 -16.703 -10.762) 20.590 16.733 ( -0.690 2.712 -1.338) 3.102 16.750 ( -0.075 2.532 -0.600) 2.603 16.833 ( -2.673 -1.653 0.469) 3.178 16.867 ( -1.905 -3.440 0.090) 3.933 17.295 ( 3.638 1.723 -0.540) 4.061 17.325 ( 4.207 -0.947 -0.328) 4.324 17.483 ( 2.659 0.946 0.208) 2.830 17.512 ( 3.303 -1.520 -0.953) 3.759 22.394 ( -0.426 0.621 0.286) 0.806 22.408 ( -0.710 -0.603 -0.677) 1.152 22.558 ( 0.007 1.196 0.330) 1.241 22.598 ( 1.045 -2.421 -0.157) 2.642 27.268 ( -1.691 1.643 -0.416) 2.394 27.296 ( -0.358 0.616 0.244) 0.753 27.319 ( -1.159 -0.084 0.404) 1.230 27.366 ( 0.677 -2.625 0.611) 2.779 36.946 ( -4.040 4.322 1.759) 6.172 37.007 ( -2.021 -0.770 0.576) 2.238 37.260 ( 5.565 2.079 0.346) 5.951 37.314 ( 5.032 -2.960 -0.824) 5.896 38.068 ( 0.373 9.384 -2.632) 9.753 38.126 ( 10.588 3.814 5.202) 12.398 38.487 ( -1.421 0.461 7.989) 8.127 38.630 ( -9.589 -10.545 -9.239) 16.986 ======================= Grid point 177 (101/126) ======================= q-point: ( 0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 4.549 17.775 13.582) 22.828 2.368 ( 6.852 -3.428 8.675) 11.573 2.528 ( 6.067 -0.366 10.765) 12.362 2.656 ( 3.333 -5.970 1.216) 6.945 2.862 ( 2.340 1.674 -3.312) 4.387 2.918 ( 2.953 -2.750 -1.670) 4.367 3.156 ( 0.863 1.721 -0.673) 2.040 3.239 ( -1.161 -4.685 -2.680) 5.521 3.609 ( 4.082 9.472 8.910) 13.630 3.734 ( 5.185 -0.993 7.682) 9.321 3.812 ( -1.949 0.060 2.562) 3.219 3.860 ( -0.434 -4.754 8.803) 10.014 4.148 ( 6.291 3.207 5.959) 9.239 4.205 ( 0.832 -1.418 4.350) 4.650 4.410 ( 10.810 6.277 -3.929) 13.103 4.564 ( 7.660 -3.877 -6.137) 10.553 4.713 ( 1.517 5.039 2.229) 5.715 4.881 ( -2.986 -7.893 4.098) 9.381 5.135 ( 4.795 7.120 0.649) 8.609 5.168 ( 1.604 2.645 -0.052) 3.093 5.268 ( 5.745 -0.540 -3.282) 6.638 5.338 ( 8.741 -3.023 2.738) 9.646 5.442 ( 1.247 11.473 4.478) 12.379 5.662 ( 0.261 -7.305 4.238) 8.449 5.776 ( 6.460 1.823 1.786) 6.946 5.895 ( 4.835 -6.892 -2.762) 8.861 6.049 ( 4.213 1.838 -3.537) 5.800 6.169 ( 10.488 -7.096 -1.752) 12.783 6.422 ( -2.646 5.754 -6.334) 8.957 6.456 ( 2.083 3.462 -3.460) 5.319 6.554 ( 2.027 -5.422 -3.192) 6.610 6.621 ( -1.110 -8.213 -2.614) 8.690 6.950 ( -4.539 2.018 -6.309) 8.030 7.004 ( -5.067 -2.822 -7.442) 9.436 7.177 ( 6.138 3.571 1.106) 7.187 7.265 ( 7.090 -4.180 1.292) 8.331 7.489 ( 12.514 -0.004 -5.552) 13.690 7.501 ( 8.958 -0.485 -3.684) 9.698 7.811 ( 4.825 9.240 -3.699) 11.060 8.011 ( -10.556 2.501 6.798) 12.802 8.026 ( -1.574 -1.825 1.088) 2.644 8.181 ( -6.717 -5.507 7.517) 11.487 8.328 ( -3.544 1.288 0.775) 3.849 8.359 ( -6.059 -1.723 2.227) 6.681 8.787 ( -4.501 12.818 1.524) 13.670 9.105 ( -11.706 -12.807 8.169) 19.178 9.213 ( -5.947 14.591 -8.936) 18.114 9.543 ( -5.089 -13.106 -13.116) 19.228 16.717 ( -0.542 2.280 -1.356) 2.708 16.747 ( -0.252 2.033 -0.121) 2.052 16.779 ( -2.822 -2.088 0.119) 3.513 16.825 ( -2.312 -3.688 0.348) 4.367 17.363 ( 3.295 1.831 -0.005) 3.769 17.392 ( 2.757 -0.789 0.511) 2.913 17.571 ( 6.340 1.855 -0.705) 6.643 17.607 ( 6.838 -1.364 -1.614) 7.158 22.382 ( -0.768 0.294 -0.125) 0.832 22.389 ( -0.861 -0.375 -0.835) 1.257 22.557 ( -0.232 1.740 -0.168) 1.764 22.604 ( -0.229 -2.511 -0.571) 2.585 27.241 ( -0.922 1.113 -0.217) 1.462 27.271 ( -1.462 -1.500 0.021) 2.095 27.317 ( -0.125 2.398 0.931) 2.575 27.371 ( -0.432 -2.369 0.780) 2.531 36.870 ( -4.483 5.248 2.625) 7.385 36.958 ( -3.401 -2.067 1.116) 4.134 37.372 ( 5.631 3.610 0.448) 6.704 37.461 ( 9.888 -4.746 -1.818) 11.118 38.045 ( -0.704 12.744 -5.626) 13.949 38.335 ( 2.919 -11.347 -7.632) 13.983 38.447 ( 1.433 6.334 8.444) 10.652 38.591 ( 5.687 -5.728 12.351) 14.755 ======================= Grid point 178 (102/126) ======================= q-point: ( 0.30 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 5.768 16.438 8.431) 19.354 2.500 ( 3.926 -7.382 3.866) 9.211 2.693 ( 7.311 -0.878 5.208) 9.019 2.753 ( 6.263 -4.363 1.558) 7.791 2.930 ( 6.584 3.941 1.028) 7.742 2.995 ( 4.338 -0.606 -1.172) 4.534 3.174 ( -0.774 -0.772 0.324) 1.141 3.236 ( 2.221 -6.215 -0.900) 6.661 3.597 ( -4.088 6.981 6.382) 10.304 3.718 ( -4.442 -3.936 5.876) 8.352 3.905 ( 5.752 5.054 13.030) 15.113 4.020 ( 7.965 -4.714 12.781) 15.780 4.179 ( -3.195 1.407 5.079) 6.163 4.218 ( -1.703 -1.155 5.833) 6.186 4.585 ( 5.912 1.439 -0.636) 6.117 4.650 ( 5.830 -2.466 -5.741) 8.546 4.770 ( 3.518 0.735 -0.792) 3.680 4.882 ( 1.423 -6.529 0.018) 6.683 5.175 ( 2.554 3.273 -2.362) 4.776 5.247 ( 4.475 -2.067 -0.337) 4.940 5.393 ( 6.267 7.124 -1.292) 9.576 5.494 ( 5.039 5.519 3.648) 8.316 5.554 ( 10.129 2.073 2.664) 10.677 5.683 ( 0.776 -5.931 4.926) 7.749 5.896 ( 5.631 1.976 -0.189) 5.971 5.943 ( 2.791 0.044 -6.960) 7.499 6.117 ( 3.455 7.046 -1.093) 7.923 6.312 ( 1.016 -1.206 0.308) 1.607 6.391 ( 3.246 1.293 -6.407) 7.298 6.489 ( 2.566 2.039 -2.948) 4.408 6.568 ( 0.911 -10.663 -3.591) 11.288 6.607 ( 1.145 -7.715 -1.485) 7.939 6.886 ( 0.279 0.311 -7.275) 7.287 6.903 ( -1.474 -1.391 -8.577) 8.813 7.303 ( 5.492 4.275 1.414) 7.102 7.389 ( 6.081 -2.699 0.747) 6.695 7.586 ( -2.639 4.637 0.999) 5.428 7.705 ( -4.961 -2.451 2.872) 6.234 7.770 ( 2.470 8.209 3.850) 9.397 7.953 ( 9.747 -0.675 -4.510) 10.761 8.011 ( -1.170 0.861 0.248) 1.474 8.029 ( -3.739 -4.402 1.658) 6.009 8.302 ( -0.835 1.856 0.045) 2.036 8.354 ( 3.506 -2.688 -1.812) 4.775 8.630 ( -13.380 5.682 6.411) 15.888 8.847 ( -17.439 -12.748 9.803) 23.722 9.077 ( -5.306 17.927 -11.343) 21.868 9.413 ( -4.594 -12.399 -13.822) 19.128 16.702 ( -0.784 1.020 -0.390) 1.344 16.721 ( -2.312 0.501 1.589) 2.849 16.747 ( -0.585 -0.910 -1.483) 1.836 16.794 ( -0.865 -3.568 -0.474) 3.702 17.420 ( 2.810 1.681 0.266) 3.285 17.440 ( 2.274 -0.135 0.619) 2.360 17.692 ( 6.348 2.352 -1.099) 6.859 17.730 ( 6.364 -1.063 -1.876) 6.719 22.367 ( -0.593 0.155 -0.369) 0.715 22.372 ( -0.628 -0.245 -0.811) 1.054 22.548 ( -0.524 1.605 -0.367) 1.727 22.589 ( -1.049 -1.991 -0.683) 2.352 27.235 ( 0.376 0.657 -0.034) 0.757 27.254 ( -0.251 -1.008 0.191) 1.057 27.313 ( -0.651 1.942 0.780) 2.192 27.355 ( -1.548 -1.785 0.708) 2.466 36.805 ( -3.326 4.923 2.971) 6.642 36.894 ( -3.625 -2.526 1.824) 4.780 37.458 ( 3.185 6.441 -0.956) 7.249 37.614 ( 5.805 -7.980 -2.621) 10.210 38.032 ( 1.794 7.599 -3.834) 8.698 38.202 ( -6.290 -6.220 -4.430) 9.893 38.696 ( 13.884 3.298 6.905) 15.853 38.778 ( 8.342 -3.384 11.732) 14.788 ======================= Grid point 179 (103/126) ======================= q-point: ( 0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 4.955 11.841 3.799) 13.386 2.550 ( 1.275 -6.535 -0.298) 6.665 2.833 ( 5.706 -0.782 3.759) 6.877 2.867 ( 3.149 -2.779 2.981) 5.150 3.019 ( -0.970 0.593 0.281) 1.172 3.074 ( 2.456 -2.415 2.135) 4.052 3.136 ( -0.314 3.936 -0.879) 4.045 3.247 ( -1.262 -5.151 1.241) 5.447 3.634 ( 4.743 2.922 10.346) 11.751 3.706 ( 1.925 -2.751 7.549) 8.262 4.018 ( 0.185 7.164 11.042) 13.164 4.132 ( -1.839 -2.281 8.106) 8.619 4.167 ( -1.514 -0.054 7.744) 7.890 4.240 ( 6.653 -4.666 10.476) 13.258 4.639 ( 0.865 1.827 2.945) 3.573 4.736 ( 3.319 -5.677 -1.650) 6.780 4.823 ( 3.095 -2.688 -6.429) 7.624 4.882 ( -1.128 -6.436 -3.291) 7.316 5.245 ( 5.350 6.162 -2.161) 8.442 5.339 ( 7.375 -1.829 -8.945) 11.737 5.454 ( 1.256 6.951 4.178) 8.207 5.583 ( -0.085 -2.763 0.344) 2.786 5.682 ( 3.049 2.849 -0.344) 4.187 5.742 ( 3.156 0.698 0.124) 3.235 5.966 ( 2.317 4.716 -2.356) 5.759 5.999 ( 5.010 2.696 0.049) 5.689 6.177 ( 2.667 4.424 1.381) 5.347 6.281 ( -1.512 0.863 -2.318) 2.899 6.389 ( -0.763 -0.491 -5.732) 5.803 6.499 ( -1.407 -1.496 -1.727) 2.683 6.598 ( 2.226 -6.244 -3.108) 7.321 6.642 ( 3.244 -4.887 -2.095) 6.228 6.859 ( -2.087 1.682 -6.953) 7.452 6.890 ( 1.372 -0.235 -4.904) 5.097 7.332 ( -3.372 2.099 0.764) 4.045 7.375 ( -7.256 -1.555 0.113) 7.422 7.564 ( 6.743 1.226 -0.079) 6.854 7.641 ( 0.502 -2.387 4.922) 5.494 7.846 ( -0.241 3.625 10.422) 11.037 7.912 ( -1.865 1.662 7.881) 8.268 8.181 ( 10.176 1.822 -8.794) 13.572 8.208 ( 7.509 -0.616 -4.543) 8.798 8.254 ( 0.087 6.323 -3.129) 7.055 8.387 ( -10.104 1.792 8.320) 13.210 8.433 ( 5.299 -4.986 -1.849) 7.507 8.600 ( -9.803 -12.851 6.240) 17.326 8.909 ( -8.581 17.304 -9.769) 21.645 9.237 ( -9.584 -12.043 -11.705) 19.337 16.678 ( -1.730 -0.130 1.012) 2.008 16.696 ( -1.122 -1.565 1.363) 2.359 16.738 ( 0.486 0.657 -1.558) 1.759 16.783 ( -0.158 -3.056 -1.241) 3.302 17.468 ( 2.104 1.609 0.223) 2.658 17.480 ( 1.643 0.630 0.271) 1.780 17.786 ( 3.856 2.250 -1.101) 4.598 17.819 ( 3.634 -0.661 -2.043) 4.221 22.358 ( -0.306 0.093 -0.418) 0.527 22.360 ( -0.369 -0.119 -0.627) 0.737 22.537 ( -0.559 1.107 -0.261) 1.267 22.564 ( -1.242 -1.323 -0.598) 1.911 27.253 ( 1.352 0.324 0.240) 1.410 27.262 ( 0.923 -0.451 0.255) 1.059 27.301 ( -0.700 0.962 0.281) 1.223 27.322 ( -1.901 -0.921 0.306) 2.134 36.773 ( -1.118 4.020 2.766) 5.006 36.845 ( -2.101 -1.907 1.868) 3.397 37.483 ( 0.232 6.203 -1.315) 6.345 37.639 ( -1.343 -7.620 -3.405) 8.454 38.076 ( 2.028 1.736 -0.841) 2.799 38.120 ( -0.875 -1.701 -1.481) 2.419 38.944 ( 7.639 1.583 7.985) 11.163 38.978 ( 11.129 -1.362 3.650) 11.791 ======================= Grid point 180 (104/126) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 4.486 7.960 1.904) 9.334 2.555 ( -0.204 -1.821 -3.109) 3.609 2.847 ( -5.446 -0.390 3.562) 6.519 2.902 ( -1.780 -4.975 1.155) 5.409 2.931 ( -7.602 1.240 6.255) 9.923 3.009 ( -4.947 -4.556 5.885) 8.937 3.209 ( 3.392 1.256 1.942) 4.105 3.263 ( 2.138 -3.068 0.743) 3.813 3.757 ( 3.720 3.063 5.782) 7.527 3.826 ( 6.280 -2.322 3.549) 7.578 4.028 ( -2.423 2.600 8.884) 9.569 4.089 ( -0.103 -2.332 8.089) 8.419 4.276 ( 5.105 5.961 10.299) 12.949 4.377 ( 3.226 -2.242 6.807) 7.860 4.634 ( -1.699 3.909 1.889) 4.662 4.786 ( 0.950 -3.536 -2.180) 4.262 4.831 ( 0.527 -4.960 -1.522) 5.215 4.859 ( 2.733 -11.433 -4.011) 12.420 5.288 ( -2.192 6.057 -3.455) 7.310 5.405 ( 0.492 -0.130 -12.127) 12.137 5.467 ( -2.789 3.108 3.096) 5.199 5.591 ( 5.119 -3.052 -0.962) 6.036 5.688 ( 0.026 4.649 -4.345) 6.364 5.767 ( 2.383 0.282 -4.103) 4.753 5.953 ( -3.860 6.941 3.203) 8.564 6.076 ( -0.136 0.364 4.475) 4.492 6.210 ( -0.281 0.414 0.741) 0.895 6.270 ( 1.301 -3.065 -1.647) 3.715 6.365 ( 0.027 0.437 -4.324) 4.346 6.419 ( -6.683 -4.704 -2.484) 8.542 6.584 ( -0.592 5.098 -0.272) 5.140 6.693 ( -1.111 -6.045 -3.141) 6.903 6.782 ( -0.821 6.380 -3.350) 7.253 6.874 ( -1.547 -1.559 -3.953) 4.522 7.284 ( 1.627 2.700 -0.824) 3.258 7.351 ( 3.218 -2.449 -2.417) 4.711 7.610 ( -3.661 -0.427 2.420) 4.410 7.658 ( -0.263 -2.332 5.244) 5.746 7.935 ( -2.991 5.300 5.515) 8.213 7.961 ( -0.543 2.240 5.898) 6.333 8.037 ( -2.557 5.464 7.406) 9.552 8.136 ( -1.837 -3.536 4.734) 6.188 8.413 ( 8.704 4.062 -7.024) 11.900 8.474 ( -1.164 -1.633 4.157) 4.615 8.529 ( 8.551 -3.995 -4.995) 10.678 8.583 ( 8.079 -4.153 -6.900) 11.407 8.717 ( -5.853 9.213 -3.683) 11.519 8.976 ( -13.400 -10.765 -9.175) 19.484 16.653 ( -1.412 0.112 1.663) 2.184 16.683 ( -0.652 -2.697 0.935) 2.928 16.753 ( 1.441 0.052 -1.080) 1.802 16.778 ( 0.122 -2.114 -1.576) 2.640 17.494 ( 0.355 1.737 0.110) 1.776 17.502 ( 0.722 0.965 -0.299) 1.241 17.823 ( 0.393 1.902 -1.043) 2.204 17.849 ( 0.305 -0.311 -2.208) 2.251 22.352 ( -0.155 0.051 -0.325) 0.364 22.353 ( -0.226 0.000 -0.388) 0.449 22.528 ( -0.282 0.475 0.143) 0.570 22.541 ( -0.975 -0.656 -0.318) 1.217 27.272 ( -1.047 0.021 0.743) 1.284 27.273 ( 0.008 -0.053 0.738) 0.740 27.301 ( 0.892 0.234 -0.666) 1.137 27.307 ( 1.707 -0.243 -0.774) 1.890 36.784 ( 1.222 3.231 2.303) 4.152 36.835 ( 0.614 -0.773 1.109) 1.484 37.474 ( -0.643 3.798 -0.043) 3.853 37.583 ( -2.251 -5.160 -3.263) 6.507 38.056 ( -3.008 3.044 2.209) 4.816 38.138 ( 0.781 -4.839 -1.490) 5.123 39.060 ( 2.890 5.894 3.764) 7.567 39.178 ( 8.766 -4.848 -0.780) 10.047 ======================= Grid point 181 (105/126) ======================= q-point: (-0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -3.291 6.253 -1.707) 7.270 2.555 ( 2.914 1.480 -2.616) 4.187 2.733 ( -9.857 3.813 10.632) 14.991 2.759 ( -6.158 -0.897 1.926) 6.514 2.884 ( -4.325 -5.503 5.724) 9.042 2.947 ( -5.261 -8.251 11.154) 14.838 3.239 ( -0.546 1.384 -0.990) 1.787 3.283 ( -0.656 -2.207 -1.123) 2.561 3.800 ( -0.367 2.738 1.438) 3.114 3.870 ( -2.828 -3.120 -0.871) 4.300 4.065 ( 4.026 6.029 9.877) 12.252 4.178 ( 3.627 -4.099 7.740) 9.480 4.359 ( -0.218 3.507 4.808) 5.955 4.390 ( -2.428 -0.481 3.134) 3.994 4.641 ( 2.357 9.632 -3.338) 10.463 4.768 ( 0.545 1.878 -0.277) 1.975 4.860 ( 2.923 -9.011 -4.223) 10.372 4.941 ( 3.735 -10.975 1.522) 11.693 5.140 ( -9.630 4.828 -7.185) 12.948 5.282 ( -6.717 -7.173 -5.795) 11.409 5.404 ( -6.477 8.185 4.091) 11.211 5.571 ( -5.913 -5.094 2.676) 8.250 5.777 ( 6.493 2.407 -5.244) 8.686 5.828 ( 1.303 -0.961 -7.881) 8.046 5.867 ( -2.952 9.846 4.956) 11.411 6.010 ( -7.011 -2.408 1.450) 7.554 6.194 ( -0.654 0.787 0.379) 1.092 6.230 ( -2.913 -0.833 -0.452) 3.064 6.342 ( -1.217 0.163 -1.400) 1.862 6.379 ( 2.297 -2.043 -0.291) 3.088 6.546 ( -4.398 0.411 1.659) 4.718 6.589 ( -5.770 -4.662 -1.874) 7.652 6.753 ( -3.323 1.704 -4.843) 6.116 6.822 ( -2.771 -3.688 -3.461) 5.766 7.365 ( 1.192 4.929 -0.983) 5.166 7.393 ( 0.838 -0.307 1.114) 1.428 7.554 ( -8.993 8.191 8.269) 14.708 7.631 ( 5.937 10.226 3.755) 12.407 7.769 ( -10.531 -2.979 5.032) 12.046 7.954 ( 8.619 -9.607 -3.969) 13.503 8.198 ( 7.412 4.311 -0.934) 8.625 8.268 ( 7.640 0.968 8.015) 11.115 8.365 ( -7.052 4.720 -4.339) 9.531 8.452 ( -2.157 2.726 0.054) 3.476 8.601 ( -5.901 -4.926 -2.580) 8.109 8.634 ( 5.254 1.096 -4.907) 7.272 8.761 ( -2.393 -3.982 0.844) 4.722 8.853 ( 15.153 -8.322 -5.119) 18.030 16.638 ( -0.716 0.707 1.781) 2.046 16.682 ( 0.259 -3.118 0.952) 3.270 16.776 ( 0.776 -0.779 -1.469) 1.835 16.782 ( 1.501 -1.246 -1.078) 2.229 17.483 ( -1.368 2.231 -0.309) 2.635 17.501 ( -0.757 0.452 -0.502) 1.015 17.793 ( -3.149 1.665 -1.197) 3.758 17.816 ( -2.860 -0.246 -2.242) 3.642 22.349 ( -0.113 0.079 -0.131) 0.191 22.350 ( -0.018 0.006 -0.088) 0.090 22.526 ( -0.489 -0.011 0.130) 0.506 22.528 ( 0.104 -0.165 0.719) 0.745 27.250 ( -1.020 0.671 0.169) 1.233 27.269 ( -0.209 -1.040 -0.035) 1.061 27.325 ( 1.505 1.253 -0.564) 2.038 27.350 ( 2.503 -0.921 -0.618) 2.738 36.829 ( 2.602 3.339 1.739) 4.576 36.875 ( 3.210 -0.103 0.013) 3.212 37.458 ( -1.368 2.668 0.823) 3.109 37.550 ( -0.366 -4.341 -1.872) 4.742 37.990 ( -4.658 4.106 2.279) 6.614 38.111 ( -3.261 -7.190 0.210) 7.898 39.084 ( -0.626 10.272 -1.809) 10.449 39.293 ( 4.427 -8.682 -5.254) 11.071 ======================= Grid point 182 (106/126) ======================= q-point: (-0.30 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -4.659 8.199 2.672) 9.802 2.529 ( -5.770 0.742 2.064) 6.173 2.641 ( -4.543 8.056 3.760) 9.984 2.681 ( -2.224 3.146 4.648) 6.037 2.811 ( -5.338 -9.722 5.745) 12.491 2.889 ( -5.068 -10.637 10.861) 16.024 3.195 ( -2.449 2.115 -4.086) 5.212 3.238 ( -2.884 -1.508 -1.638) 3.644 3.736 ( -6.305 3.336 -0.075) 7.133 3.798 ( -3.907 -2.236 0.593) 4.541 4.162 ( 0.360 4.556 7.647) 8.909 4.189 ( -5.212 2.881 4.718) 7.598 4.357 ( -0.359 -0.749 1.070) 1.354 4.370 ( -0.069 -3.483 1.681) 3.868 4.623 ( -1.983 9.543 -9.133) 13.357 4.798 ( 0.730 0.221 -7.316) 7.356 4.852 ( -6.769 -3.176 -3.868) 8.418 4.930 ( -2.184 -5.235 -1.143) 5.787 5.010 ( -0.226 3.362 3.101) 4.579 5.166 ( -3.695 -8.787 -1.265) 9.616 5.279 ( -7.621 7.466 4.583) 11.611 5.453 ( -6.544 -7.017 4.017) 10.402 5.662 ( -11.314 7.401 2.015) 13.669 5.785 ( -8.950 -3.750 2.305) 9.974 5.894 ( 0.688 -0.582 3.438) 3.554 5.909 ( 0.531 -0.263 -8.339) 8.360 6.147 ( -5.589 5.166 -2.984) 8.175 6.240 ( -0.030 -1.387 1.022) 1.723 6.329 ( 0.693 4.475 -0.372) 4.544 6.384 ( 0.052 2.040 0.476) 2.095 6.448 ( -6.863 -2.960 3.861) 8.412 6.576 ( 3.069 -9.145 -2.165) 9.886 6.656 ( -1.892 -0.130 -3.919) 4.353 6.733 ( -2.860 -5.643 -4.974) 8.047 7.317 ( -6.190 11.561 2.263) 13.307 7.359 ( -2.001 0.193 -0.100) 2.013 7.390 ( -6.655 0.615 5.187) 8.460 7.604 ( -7.908 -10.039 4.923) 13.695 7.988 ( 23.846 16.935 -2.215) 29.331 8.062 ( -1.764 11.095 -4.383) 12.059 8.250 ( -1.860 -1.281 -2.343) 3.254 8.282 ( -4.993 -1.672 0.320) 5.275 8.347 ( 3.078 -4.522 -3.112) 6.293 8.436 ( 8.907 -8.234 -7.959) 14.508 8.519 ( -2.441 6.829 5.210) 8.930 8.700 ( 0.369 -9.861 13.628) 16.825 8.821 ( 6.832 12.300 -0.763) 14.091 9.149 ( 17.439 -15.542 -4.893) 23.867 16.640 ( 0.290 1.807 1.487) 2.358 16.700 ( 1.303 -3.162 0.730) 3.497 16.788 ( 1.298 -0.087 -1.439) 1.940 16.812 ( 1.915 -1.934 -0.716) 2.814 17.442 ( -2.771 2.546 -0.513) 3.798 17.471 ( -2.206 -0.252 -0.495) 2.275 17.702 ( -5.724 1.519 -1.452) 6.098 17.728 ( -5.456 -0.579 -2.212) 5.916 22.349 ( 0.164 0.203 0.210) 0.335 22.353 ( 0.469 -0.188 0.267) 0.571 22.522 ( -0.094 0.548 0.568) 0.794 22.536 ( 0.318 -0.695 1.280) 1.490 27.239 ( -0.131 1.057 -0.194) 1.082 27.270 ( 0.416 -1.658 -0.456) 1.769 27.347 ( 0.897 2.117 -0.548) 2.364 27.388 ( 1.615 -1.572 -0.545) 2.319 36.888 ( 2.976 4.089 1.267) 5.214 36.943 ( 3.799 -0.040 -0.710) 3.865 37.426 ( -2.545 3.256 0.795) 4.209 37.530 ( -1.956 -4.424 -1.385) 5.031 37.918 ( -3.375 2.801 2.569) 5.083 38.034 ( -4.701 -7.147 2.704) 8.971 39.029 ( -3.373 13.333 -7.370) 15.603 39.305 ( -0.147 -11.776 -10.277) 15.631 ======================= Grid point 183 (107/126) ======================= q-point: (-0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -7.893 11.383 12.930) 18.949 2.442 ( -2.956 9.027 4.293) 10.423 2.556 ( -5.702 7.072 4.701) 10.228 2.634 ( -5.483 -7.072 2.029) 9.175 2.743 ( -2.090 -4.738 -0.982) 5.271 2.844 ( -2.166 -9.974 3.783) 10.885 3.144 ( -1.159 1.582 -2.849) 3.459 3.188 ( -1.514 -1.586 -0.730) 2.311 3.622 ( -5.645 4.660 4.169) 8.424 3.714 ( -5.268 -3.316 2.037) 6.550 4.033 ( -11.719 6.960 3.533) 14.081 4.100 ( -10.376 3.594 6.818) 12.926 4.311 ( -3.003 -0.018 -2.176) 3.709 4.387 ( -0.662 -5.705 -3.403) 6.676 4.505 ( -5.607 5.912 -12.203) 14.673 4.607 ( -11.420 -2.906 -6.467) 13.442 4.815 ( -0.012 2.239 1.055) 2.476 4.873 ( -4.125 -3.594 3.252) 6.364 5.029 ( -0.299 2.929 2.356) 3.771 5.115 ( -6.523 -2.261 1.596) 7.085 5.192 ( 1.053 6.711 0.669) 6.826 5.374 ( -3.816 -6.371 1.194) 7.521 5.493 ( -6.054 4.497 2.107) 7.830 5.589 ( -9.153 -4.358 3.798) 10.826 5.828 ( -5.815 4.002 -1.203) 7.161 5.983 ( 2.555 -5.806 5.588) 8.454 6.002 ( -6.228 5.367 -3.338) 8.873 6.222 ( -5.118 -8.079 3.404) 10.151 6.230 ( -4.530 3.263 -0.939) 5.661 6.340 ( -4.824 -6.512 3.344) 8.767 6.434 ( 1.803 5.260 -9.946) 11.394 6.558 ( 0.302 -5.132 -5.246) 7.345 6.700 ( 8.140 3.509 0.940) 8.914 6.829 ( 8.556 -6.979 2.205) 11.260 7.221 ( -3.061 12.557 1.954) 13.072 7.313 ( -2.637 0.630 -1.256) 2.988 7.338 ( -1.439 -2.064 -2.319) 3.421 7.521 ( -0.490 -13.074 -2.463) 13.313 7.914 ( -9.204 6.922 -3.886) 12.154 8.055 ( -11.390 -6.130 -1.232) 12.993 8.290 ( 2.069 6.336 -0.214) 6.668 8.357 ( 2.691 7.835 -0.023) 8.284 8.434 ( 2.348 7.814 9.550) 12.561 8.487 ( 3.192 1.954 -1.358) 3.981 8.540 ( 8.193 3.298 -4.462) 9.895 8.869 ( 12.448 -14.789 10.934) 22.208 8.979 ( 9.436 16.824 0.648) 19.301 9.449 ( 15.836 -22.149 -5.343) 27.747 16.661 ( 1.547 3.196 0.766) 3.632 16.731 ( 1.642 -1.903 -0.057) 2.514 16.816 ( 2.124 -0.516 -0.955) 2.386 16.847 ( 1.985 -2.337 -0.447) 3.098 17.376 ( -4.082 2.718 -0.439) 4.923 17.415 ( -3.698 -0.965 -0.285) 3.832 17.583 ( -5.871 1.038 -1.241) 6.090 17.608 ( -5.874 -0.992 -2.134) 6.328 22.358 ( 0.642 0.500 0.587) 1.003 22.371 ( 1.274 -0.709 0.494) 1.539 22.526 ( 0.211 0.871 0.910) 1.277 22.547 ( 0.211 -0.989 1.574) 1.871 27.243 ( 0.632 1.387 -0.225) 1.541 27.282 ( 1.081 -2.025 -0.443) 2.338 27.353 ( -0.043 2.485 -0.568) 2.549 27.403 ( 0.089 -1.934 -0.493) 1.998 36.943 ( 2.196 4.387 1.363) 5.092 37.002 ( 2.559 -0.035 -0.755) 2.669 37.356 ( -5.087 3.395 0.436) 6.131 37.459 ( -4.402 -3.968 -3.345) 6.805 37.875 ( -2.679 2.487 3.726) 5.220 37.996 ( -0.527 -6.959 6.106) 9.273 38.907 ( -5.876 14.841 -11.530) 19.691 39.216 ( -4.359 -13.233 -14.373) 20.017 ======================= Grid point 184 (108/126) ======================= q-point: (-0.10 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( -12.326 13.114 16.296) 24.279 2.399 ( -11.472 7.073 13.706) 19.222 2.475 ( -1.600 -1.879 10.894) 11.170 2.563 ( 1.005 3.118 -7.777) 8.438 2.729 ( 1.345 -1.236 -5.196) 5.508 2.830 ( 0.116 -9.254 -1.103) 9.320 3.133 ( 0.692 0.813 -1.303) 1.684 3.186 ( 1.626 -2.317 -0.238) 2.840 3.561 ( -4.597 4.254 10.560) 12.277 3.631 ( -4.705 -1.579 4.333) 6.589 3.797 ( -12.650 8.561 5.361) 16.188 3.909 ( -9.332 0.929 5.383) 10.813 4.210 ( -6.170 5.949 -7.934) 11.679 4.308 ( -2.001 -3.739 -9.625) 10.518 4.360 ( -10.305 -2.241 0.547) 10.560 4.410 ( -4.536 -5.755 -9.568) 12.051 4.811 ( -0.609 4.230 1.746) 4.617 4.845 ( -1.237 1.668 6.562) 6.883 4.954 ( -6.911 5.972 -2.256) 9.408 5.042 ( 0.112 -1.110 2.406) 2.652 5.237 ( 0.526 3.626 2.399) 4.380 5.333 ( 2.845 -4.289 -2.002) 5.522 5.453 ( 0.105 2.622 3.001) 3.987 5.514 ( -3.021 -3.165 4.180) 6.051 5.687 ( -7.144 2.447 -0.862) 7.601 5.860 ( -9.331 -9.896 -2.796) 13.886 5.982 ( -2.350 7.853 4.758) 9.478 6.165 ( -0.831 -5.258 -0.210) 5.327 6.234 ( -1.093 -4.239 -2.887) 5.243 6.259 ( 2.829 -8.035 4.584) 9.673 6.477 ( 4.960 3.896 -6.797) 9.273 6.571 ( 2.900 -4.345 -5.831) 7.829 6.878 ( 7.678 3.753 3.938) 9.410 6.967 ( 5.106 -4.246 2.581) 7.124 7.211 ( 0.166 6.838 -1.571) 7.018 7.271 ( -1.431 2.255 -2.920) 3.957 7.306 ( 1.770 2.563 -4.666) 5.610 7.536 ( -0.624 -8.321 -6.945) 10.856 7.745 ( -3.691 -1.265 -3.034) 4.943 7.840 ( -10.853 -6.668 0.698) 12.757 8.275 ( -4.704 7.709 5.945) 10.812 8.363 ( -3.046 -0.541 0.580) 3.148 8.396 ( 0.055 6.514 3.258) 7.283 8.473 ( 0.416 0.029 -0.785) 0.889 8.823 ( 9.109 13.153 5.444) 16.900 9.088 ( 9.361 14.112 0.359) 16.939 9.196 ( 10.497 -5.504 4.924) 12.835 9.682 ( 10.775 -25.489 -7.933) 28.787 16.701 ( 2.457 4.127 -0.169) 4.806 16.755 ( 0.925 0.813 -0.831) 1.486 16.854 ( 1.748 -1.791 -0.321) 2.523 16.878 ( 1.297 -2.727 -0.455) 3.054 17.294 ( -3.776 1.963 -0.388) 4.273 17.327 ( -5.003 -1.057 -0.329) 5.124 17.494 ( -2.984 0.648 -0.316) 3.070 17.517 ( -2.821 -1.356 -1.499) 3.471 22.376 ( 0.910 0.894 0.782) 1.496 22.400 ( 1.406 -1.292 0.194) 1.919 22.539 ( 0.837 0.499 1.077) 1.453 22.554 ( 0.029 -0.852 1.439) 1.672 27.259 ( 1.100 1.822 0.062) 2.129 27.304 ( 1.194 -1.764 -0.188) 2.138 27.342 ( -0.714 1.784 -0.527) 1.992 27.389 ( -1.288 -2.013 -0.385) 2.420 36.979 ( 1.074 3.859 1.717) 4.358 37.031 ( 0.623 -0.037 0.060) 0.627 37.259 ( -4.484 3.345 -0.460) 5.613 37.355 ( -4.757 -4.444 -4.050) 7.667 37.866 ( 0.614 5.994 5.479) 8.144 38.030 ( 0.728 -7.874 7.157) 10.666 38.731 ( -7.957 15.624 -11.385) 20.906 39.052 ( -7.084 -13.346 -15.484) 21.635 ======================= Grid point 205 (109/126) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 15.373 0.000 -18.479) 24.038 1.974 ( -15.373 0.000 18.479) 24.038 2.349 ( 6.222 0.000 -21.827) 22.697 2.349 ( -6.222 0.000 21.827) 22.697 2.846 ( -1.421 0.000 -2.465) 2.845 2.846 ( 1.421 0.000 2.465) 2.845 3.373 ( 0.074 0.000 -1.957) 1.959 3.373 ( -0.074 0.000 1.957) 1.959 3.493 ( 4.019 0.000 -4.250) 5.850 3.493 ( -4.019 0.000 4.250) 5.850 3.642 ( 4.846 0.000 -12.615) 13.514 3.642 ( -4.846 0.000 12.615) 13.514 4.046 ( -5.051 0.000 -14.764) 15.604 4.046 ( 5.051 0.000 14.764) 15.604 4.515 ( -2.248 0.000 -3.654) 4.290 4.515 ( 2.248 0.000 3.654) 4.290 4.699 ( -4.214 0.000 -1.154) 4.369 4.699 ( 4.214 0.000 1.154) 4.369 4.711 ( -2.795 0.000 -0.019) 2.795 4.711 ( 2.795 0.000 0.019) 2.795 5.457 ( 7.252 0.000 -6.706) 9.877 5.457 ( -7.252 0.000 6.706) 9.877 5.613 ( -4.359 0.000 -8.429) 9.490 5.613 ( 4.359 0.000 8.429) 9.490 5.630 ( 10.160 0.000 -17.852) 20.541 5.630 ( -10.160 0.000 17.852) 20.541 6.107 ( 0.036 0.000 -0.949) 0.949 6.107 ( -0.036 0.000 0.949) 0.949 6.416 ( -7.568 0.000 -1.219) 7.666 6.416 ( 7.568 0.000 1.219) 7.666 6.679 ( -1.655 0.000 -1.967) 2.571 6.679 ( 1.655 0.000 1.967) 2.571 6.999 ( -13.972 0.000 -2.386) 14.175 6.999 ( 13.972 0.000 2.386) 14.175 7.128 ( -7.899 0.000 -2.775) 8.373 7.128 ( 7.899 0.000 2.775) 8.373 7.391 ( -6.471 0.000 -1.742) 6.702 7.391 ( 6.471 0.000 1.742) 6.702 7.992 ( 2.017 0.000 -3.970) 4.453 7.992 ( -2.017 0.000 3.970) 4.453 8.143 ( 0.891 0.000 -3.131) 3.255 8.143 ( -0.891 0.000 3.131) 3.255 8.328 ( 0.288 0.000 -1.006) 1.047 8.328 ( -0.288 0.000 1.006) 1.047 8.484 ( -3.573 0.000 1.078) 3.732 8.484 ( 3.573 0.000 -1.078) 3.732 10.091 ( -2.788 0.000 -15.134) 15.388 10.091 ( 2.788 0.000 15.134) 15.388 16.637 ( -0.489 0.000 -0.941) 1.061 16.637 ( 0.489 0.000 0.941) 1.061 16.944 ( 1.058 0.000 -0.845) 1.354 16.944 ( -1.058 0.000 0.845) 1.354 17.251 ( -3.310 0.000 0.102) 3.312 17.251 ( 3.310 0.000 -0.102) 3.312 17.497 ( 0.448 0.000 -1.596) 1.658 17.497 ( -0.448 0.000 1.596) 1.658 22.403 ( -0.351 0.000 -1.650) 1.687 22.403 ( 0.351 0.000 1.650) 1.687 22.599 ( 2.843 0.000 -1.570) 3.247 22.599 ( -2.843 0.000 1.570) 3.247 27.239 ( 0.279 0.000 -0.672) 0.728 27.239 ( -0.279 0.000 0.672) 0.728 27.414 ( -1.687 0.000 0.102) 1.690 27.414 ( 1.687 0.000 -0.102) 1.690 36.899 ( -2.495 0.000 0.308) 2.514 36.899 ( 2.495 0.000 -0.308) 2.514 37.266 ( 1.868 0.000 -5.692) 5.991 37.266 ( -1.868 0.000 5.692) 5.991 37.853 ( -0.275 0.000 -1.268) 1.298 37.853 ( 0.275 0.000 1.268) 1.298 38.787 ( -6.245 0.000 -17.125) 18.228 38.787 ( 6.245 0.000 17.125) 18.228 ======================= Grid point 207 (110/126) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -9.810 0.000 16.222) 18.958 2.186 ( 13.395 0.000 -13.559) 19.059 2.394 ( 3.477 0.000 14.848) 15.249 2.448 ( 10.353 0.000 -16.545) 19.517 2.844 ( 0.974 0.000 -0.599) 1.144 2.916 ( 4.588 0.000 1.420) 4.802 3.320 ( -2.775 0.000 -2.106) 3.484 3.336 ( -1.760 0.000 6.997) 7.215 3.508 ( 0.384 0.000 0.859) 0.941 3.637 ( 8.400 0.000 -2.538) 8.775 3.718 ( 8.156 0.000 11.566) 14.152 3.759 ( 11.518 0.000 -7.645) 13.824 3.983 ( 4.032 0.000 -10.934) 11.653 4.224 ( 6.971 0.000 14.823) 16.380 4.476 ( -0.508 0.000 -1.046) 1.163 4.558 ( 0.279 0.000 6.651) 6.657 4.650 ( 0.112 0.000 -0.791) 0.799 4.735 ( 6.037 0.000 -0.929) 6.108 4.797 ( 5.559 0.000 -2.364) 6.041 4.813 ( 6.547 0.000 5.257) 8.397 5.357 ( -4.672 0.000 7.019) 8.431 5.431 ( -6.920 0.000 -2.907) 7.506 5.555 ( -4.815 0.000 17.228) 17.889 5.614 ( 9.838 0.000 -18.124) 20.622 5.677 ( 0.337 0.000 -0.426) 0.543 5.816 ( 14.633 0.000 -14.510) 20.607 6.124 ( 0.066 0.000 1.933) 1.934 6.143 ( 1.311 0.000 -0.454) 1.388 6.269 ( -3.929 0.000 0.715) 3.994 6.484 ( -0.453 0.000 -2.187) 2.234 6.611 ( -8.243 0.000 -2.140) 8.516 6.721 ( 2.477 0.000 -0.627) 2.555 6.830 ( 2.370 0.000 -4.145) 4.774 6.956 ( -7.842 0.000 -1.850) 8.057 7.252 ( 8.458 0.000 2.177) 8.734 7.276 ( 4.830 0.000 1.037) 4.940 7.323 ( 2.744 0.000 -0.601) 2.809 7.517 ( 4.733 0.000 0.931) 4.824 7.915 ( -8.501 0.000 10.522) 13.527 7.965 ( -4.929 0.000 -3.558) 6.080 8.114 ( -1.723 0.000 -0.704) 1.861 8.141 ( 0.977 0.000 -3.051) 3.204 8.255 ( -5.758 0.000 3.036) 6.510 8.356 ( 5.171 0.000 -1.425) 5.364 8.493 ( 2.970 0.000 -5.334) 6.105 8.568 ( 4.737 0.000 -3.245) 5.741 9.883 ( -12.656 0.000 -12.674) 17.911 10.068 ( -11.081 0.000 15.353) 18.934 16.634 ( 0.499 0.000 -1.350) 1.440 16.664 ( 2.178 0.000 0.504) 2.235 16.910 ( -2.764 0.000 0.987) 2.935 16.944 ( -0.666 0.000 -0.605) 0.900 17.229 ( 0.967 0.000 -0.289) 1.010 17.337 ( 4.912 0.000 0.259) 4.919 17.509 ( 1.147 0.000 1.910) 2.228 17.518 ( 2.678 0.000 -1.378) 3.011 22.387 ( -0.655 0.000 -1.559) 1.691 22.407 ( -0.590 0.000 1.439) 1.555 22.547 ( -2.553 0.000 0.027) 2.553 22.632 ( 1.339 0.000 -2.644) 2.964 27.235 ( -0.392 0.000 0.695) 0.798 27.243 ( 0.387 0.000 -0.349) 0.521 27.376 ( -2.350 0.000 0.317) 2.371 27.437 ( 0.686 0.000 0.048) 0.688 36.831 ( -4.427 0.000 1.272) 4.606 36.914 ( -0.358 0.000 -0.496) 0.612 37.281 ( 0.458 0.000 6.629) 6.645 37.332 ( 7.233 0.000 -4.122) 8.325 37.947 ( 10.020 0.000 -0.357) 10.026 37.951 ( 7.130 0.000 6.377) 9.566 38.592 ( -8.459 0.000 -14.479) 16.769 38.956 ( 4.981 0.000 19.525) 20.151 ======================= Grid point 208 (111/126) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.129 0.000 16.361) 16.499 2.396 ( 12.297 0.000 -6.404) 13.865 2.553 ( 9.334 0.000 3.753) 10.060 2.576 ( 8.404 0.000 -14.157) 16.463 2.858 ( 0.578 0.000 1.049) 1.197 3.014 ( 6.091 0.000 -0.870) 6.153 3.271 ( -1.962 0.000 0.638) 2.063 3.382 ( 2.812 0.000 7.067) 7.606 3.494 ( -0.873 0.000 -1.863) 2.058 3.752 ( 5.234 0.000 -0.825) 5.299 3.945 ( 9.904 0.000 10.735) 14.606 3.993 ( 13.127 0.000 -1.678) 13.234 4.078 ( 7.034 0.000 -4.430) 8.313 4.393 ( 5.118 0.000 13.547) 14.482 4.503 ( 4.341 0.000 -2.551) 5.035 4.592 ( 0.856 0.000 6.338) 6.396 4.705 ( 5.843 0.000 -2.838) 6.496 4.875 ( 7.718 0.000 -1.900) 7.948 4.883 ( 5.179 0.000 -4.674) 6.976 4.990 ( 8.742 0.000 8.867) 12.452 5.335 ( -1.558 0.000 -0.672) 1.697 5.365 ( 3.816 0.000 6.714) 7.723 5.549 ( -2.255 0.000 13.289) 13.479 5.661 ( -0.542 0.000 -2.343) 2.405 5.720 ( 6.455 0.000 -16.074) 17.322 6.019 ( 8.260 0.000 -9.027) 12.236 6.072 ( -4.060 0.000 2.423) 4.728 6.136 ( 3.487 0.000 1.710) 3.884 6.349 ( 6.865 0.000 -1.765) 7.089 6.378 ( -12.715 0.000 0.627) 12.731 6.483 ( 3.373 0.000 -9.511) 10.091 6.756 ( 0.499 0.000 -2.679) 2.725 6.853 ( -0.144 0.000 0.002) 0.144 6.966 ( 10.693 0.000 -6.496) 12.512 7.291 ( -6.910 0.000 4.271) 8.124 7.353 ( 6.016 0.000 -4.958) 7.796 7.453 ( 7.644 0.000 1.611) 7.812 7.477 ( -7.248 0.000 0.346) 7.256 7.748 ( -14.393 0.000 -5.110) 15.274 7.876 ( 0.960 0.000 11.958) 11.996 8.081 ( -1.847 0.000 -2.214) 2.883 8.180 ( 0.803 0.000 -2.398) 2.529 8.215 ( 2.962 0.000 4.371) 5.280 8.462 ( 4.624 0.000 -1.671) 4.916 8.494 ( -1.213 0.000 -5.371) 5.507 8.631 ( 2.901 0.000 -1.776) 3.401 9.583 ( -12.894 0.000 -11.844) 17.508 9.806 ( -21.055 0.000 12.292) 24.381 16.644 ( 1.129 0.000 -1.287) 1.712 16.715 ( 2.562 0.000 0.655) 2.644 16.857 ( -2.984 0.000 0.912) 3.120 16.920 ( -1.495 0.000 -0.406) 1.549 17.268 ( 2.905 0.000 -0.970) 3.062 17.406 ( 2.133 0.000 0.737) 2.257 17.559 ( 3.507 0.000 2.129) 4.103 17.597 ( 5.879 0.000 -1.257) 6.012 22.369 ( -0.587 0.000 -1.278) 1.406 22.390 ( -1.496 0.000 0.549) 1.594 22.514 ( -0.809 0.000 -0.436) 0.919 22.630 ( -0.358 0.000 -2.757) 2.780 27.230 ( -0.336 0.000 0.429) 0.545 27.252 ( 0.656 0.000 0.082) 0.661 27.333 ( -2.231 0.000 0.758) 2.356 27.438 ( -0.766 0.000 0.343) 0.840 36.757 ( -3.821 0.000 2.120) 4.370 36.892 ( -1.717 0.000 -0.911) 1.943 37.321 ( 1.449 0.000 5.674) 5.856 37.502 ( 12.115 0.000 -5.298) 13.223 38.102 ( 4.456 0.000 11.178) 12.034 38.170 ( 9.280 0.000 -1.173) 9.354 38.395 ( -3.381 0.000 -11.680) 12.160 39.115 ( 3.910 0.000 20.609) 20.977 ======================= Grid point 209 (112/126) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 9.440 0.000 15.788) 18.395 2.539 ( 3.814 0.000 -8.722) 9.520 2.668 ( 7.559 0.000 -12.739) 14.813 2.759 ( 11.148 0.000 0.755) 11.173 2.906 ( 4.870 0.000 3.633) 6.075 3.135 ( 5.732 0.000 -4.180) 7.094 3.262 ( 0.607 0.000 7.443) 7.468 3.395 ( -2.835 0.000 1.114) 3.046 3.558 ( 7.595 0.000 1.548) 7.751 3.829 ( 2.738 0.000 1.824) 3.290 4.124 ( 4.048 0.000 12.693) 13.323 4.137 ( 1.875 0.000 -3.190) 3.700 4.211 ( 7.396 0.000 0.928) 7.454 4.461 ( -3.268 0.000 8.793) 9.381 4.623 ( 10.413 0.000 -9.387) 14.019 4.650 ( 4.474 0.000 1.411) 4.691 4.814 ( 6.867 0.000 -3.905) 7.900 4.981 ( 4.398 0.000 -2.452) 5.035 5.000 ( 9.084 0.000 -1.491) 9.206 5.160 ( 6.347 0.000 6.399) 9.013 5.351 ( 1.443 0.000 2.738) 3.095 5.532 ( 2.695 0.000 7.263) 7.747 5.575 ( 6.763 0.000 13.762) 15.334 5.644 ( -1.404 0.000 -0.175) 1.415 5.721 ( -0.384 0.000 -10.192) 10.200 6.030 ( -6.590 0.000 2.200) 6.947 6.081 ( 3.481 0.000 1.719) 3.882 6.165 ( -3.250 0.000 0.179) 3.255 6.272 ( 5.726 0.000 -3.296) 6.607 6.414 ( 1.291 0.000 -4.729) 4.902 6.578 ( 8.285 0.000 -11.712) 14.346 6.731 ( -1.135 0.000 -0.490) 1.236 6.939 ( -1.106 0.000 0.327) 1.153 7.081 ( -3.675 0.000 3.415) 5.016 7.144 ( 10.460 0.000 -7.501) 12.871 7.334 ( -8.877 0.000 -9.433) 12.953 7.413 ( -0.114 0.000 1.340) 1.345 7.560 ( 2.429 0.000 -5.642) 6.142 7.611 ( 7.921 0.000 -1.871) 8.139 7.930 ( -1.340 0.000 5.317) 5.484 8.027 ( -3.010 0.000 3.891) 4.919 8.129 ( -3.833 0.000 -3.075) 4.914 8.363 ( 2.491 0.000 1.919) 3.145 8.438 ( 3.285 0.000 1.370) 3.560 8.461 ( -5.536 0.000 3.457) 6.527 8.666 ( 1.378 0.000 1.039) 1.726 9.355 ( -6.518 0.000 -13.855) 15.312 9.414 ( -22.938 0.000 7.099) 24.011 16.669 ( 1.957 0.000 -1.242) 2.318 16.751 ( 0.759 0.000 1.337) 1.538 16.813 ( -1.786 0.000 0.754) 1.938 16.891 ( -1.411 0.000 -0.559) 1.517 17.320 ( 2.894 0.000 -1.181) 3.126 17.432 ( 0.463 0.000 0.913) 1.023 17.649 ( 4.818 0.000 2.084) 5.249 17.703 ( 5.263 0.000 -1.279) 5.416 22.356 ( -0.379 0.000 -0.847) 0.928 22.364 ( -1.059 0.000 -0.195) 1.077 22.509 ( 0.164 0.000 -0.041) 0.169 22.604 ( -1.315 0.000 -2.325) 2.671 27.229 ( 0.366 0.000 0.039) 0.368 27.266 ( 0.746 0.000 0.308) 0.807 27.303 ( -1.342 0.000 1.059) 1.709 27.409 ( -2.461 0.000 0.574) 2.527 36.706 ( -2.358 0.000 2.291) 3.288 36.843 ( -3.039 0.000 -1.092) 3.230 37.380 ( 3.019 0.000 4.796) 5.667 37.722 ( 12.897 0.000 -9.045) 15.753 38.069 ( -10.187 0.000 -4.896) 11.302 38.184 ( -0.223 0.000 12.384) 12.386 38.582 ( 17.844 0.000 -5.646) 18.715 39.229 ( 0.050 0.000 18.850) 18.850 ======================= Grid point 210 (113/126) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 8.516 0.000 12.644) 15.245 2.488 ( -4.288 0.000 -8.817) 9.804 2.806 ( 11.330 0.000 -8.347) 14.072 2.944 ( 8.497 0.000 -3.186) 9.075 3.042 ( 5.082 0.000 4.571) 6.835 3.145 ( -2.128 0.000 -1.295) 2.491 3.338 ( -2.654 0.000 1.288) 2.950 3.348 ( 2.946 0.000 5.508) 6.246 3.727 ( 9.106 0.000 0.715) 9.134 3.881 ( 1.566 0.000 5.943) 6.146 4.112 ( -1.073 0.000 -7.350) 7.428 4.189 ( -1.573 0.000 12.506) 12.604 4.288 ( 1.388 0.000 -2.865) 3.184 4.356 ( -8.658 0.000 4.453) 9.736 4.775 ( 8.778 0.000 -4.215) 9.738 4.801 ( 11.463 0.000 -12.577) 17.018 4.947 ( 7.112 0.000 0.300) 7.118 5.032 ( 1.369 0.000 0.978) 1.682 5.177 ( 8.679 0.000 -0.900) 8.726 5.279 ( 3.537 0.000 4.816) 5.975 5.373 ( -0.086 0.000 3.985) 3.986 5.524 ( -4.086 0.000 12.957) 13.586 5.573 ( -3.916 0.000 -3.580) 5.306 5.686 ( 0.355 0.000 -5.637) 5.648 5.841 ( -10.141 0.000 5.255) 11.422 5.846 ( 11.318 0.000 11.174) 15.904 6.097 ( -3.411 0.000 -6.200) 7.076 6.201 ( 2.766 0.000 -1.432) 3.115 6.345 ( 3.373 0.000 -2.068) 3.956 6.434 ( 3.074 0.000 -0.397) 3.100 6.612 ( -1.188 0.000 -8.560) 8.642 6.631 ( -10.117 0.000 2.204) 10.354 6.841 ( 1.181 0.000 3.370) 3.571 7.075 ( -8.039 0.000 -7.593) 11.058 7.268 ( 10.507 0.000 3.482) 11.069 7.392 ( 13.493 0.000 -5.898) 14.725 7.515 ( 12.806 0.000 -3.387) 13.246 7.584 ( -0.475 0.000 -8.166) 8.180 7.762 ( 9.671 0.000 -6.811) 11.829 7.829 ( -7.900 0.000 -3.068) 8.475 8.006 ( -4.798 0.000 13.950) 14.752 8.030 ( -5.753 0.000 -1.298) 5.898 8.240 ( -7.690 0.000 -2.558) 8.104 8.320 ( -9.814 0.000 7.557) 12.386 8.692 ( 14.378 0.000 8.652) 16.780 8.706 ( 2.441 0.000 3.450) 4.227 9.043 ( -16.803 0.000 0.596) 16.814 9.195 ( -6.708 0.000 -13.514) 15.088 16.706 ( 2.403 0.000 -1.887) 3.055 16.754 ( -0.919 0.000 2.226) 2.408 16.799 ( 0.044 0.000 1.086) 1.086 16.860 ( -1.657 0.000 -1.129) 2.005 17.368 ( 2.615 0.000 -1.047) 2.817 17.432 ( -0.816 0.000 0.915) 1.226 17.739 ( 3.561 0.000 1.905) 4.039 17.773 ( 2.596 0.000 -1.476) 2.986 22.349 ( -0.181 0.000 -0.371) 0.413 22.350 ( -0.369 0.000 -0.284) 0.466 22.518 ( 0.699 0.000 0.480) 0.848 22.569 ( -1.500 0.000 -1.721) 2.283 27.248 ( 1.730 0.000 -0.309) 1.758 27.279 ( 0.507 0.000 0.141) 0.527 27.290 ( -0.496 0.000 0.914) 1.040 27.354 ( -3.430 0.000 0.595) 3.481 36.690 ( -0.149 0.000 2.067) 2.072 36.776 ( -3.417 0.000 -1.282) 3.649 37.473 ( 5.099 0.000 4.892) 7.066 37.783 ( -5.993 0.000 -10.581) 12.160 37.993 ( 7.257 0.000 -4.371) 8.472 38.188 ( -3.793 0.000 11.365) 11.981 38.887 ( 16.203 0.000 -7.294) 17.769 39.237 ( -5.742 0.000 14.876) 15.946 ======================= Grid point 211 (114/126) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -6.215 0.000 -9.568) 11.410 2.353 ( 6.215 0.000 9.568) 11.410 2.994 ( 8.250 0.000 -4.132) 9.227 2.994 ( -8.250 0.000 4.132) 9.227 3.080 ( 4.153 0.000 -2.093) 4.650 3.080 ( -4.153 0.000 2.093) 4.650 3.354 ( -2.701 0.000 0.121) 2.704 3.354 ( 2.701 0.000 -0.121) 2.704 3.874 ( 5.948 0.000 -4.161) 7.259 3.874 ( -5.948 0.000 4.161) 7.259 4.132 ( 7.116 0.000 -8.195) 10.854 4.132 ( -7.116 0.000 8.195) 10.854 4.278 ( 0.781 0.000 -6.286) 6.334 4.278 ( -0.781 0.000 6.286) 6.334 4.889 ( -0.970 0.000 -3.544) 3.674 4.889 ( 0.970 0.000 3.544) 3.674 5.032 ( -1.820 0.000 0.167) 1.827 5.032 ( 1.820 0.000 -0.167) 1.827 5.288 ( 3.684 0.000 -1.986) 4.185 5.288 ( -3.684 0.000 1.986) 4.185 5.428 ( 6.618 0.000 -4.221) 7.850 5.428 ( -6.618 0.000 4.221) 7.850 5.602 ( -6.463 0.000 -0.106) 6.464 5.602 ( 6.463 0.000 0.106) 6.464 5.860 ( -8.359 0.000 -3.293) 8.984 5.860 ( 8.359 0.000 3.293) 8.984 6.139 ( -7.825 0.000 -4.465) 9.009 6.139 ( 7.825 0.000 4.465) 9.009 6.431 ( -5.093 0.000 -1.872) 5.426 6.431 ( 5.093 0.000 1.872) 5.426 6.544 ( -0.940 0.000 -7.198) 7.259 6.544 ( 0.940 0.000 7.198) 7.259 6.932 ( -5.356 0.000 -5.526) 7.696 6.932 ( 5.356 0.000 5.526) 7.696 7.457 ( -8.043 0.000 -6.743) 10.496 7.457 ( 8.043 0.000 6.743) 10.496 7.624 ( -10.099 0.000 -2.040) 10.303 7.624 ( 10.099 0.000 2.040) 10.303 7.825 ( -15.218 0.000 4.010) 15.737 7.825 ( 15.218 0.000 -4.010) 15.737 7.919 ( 8.723 0.000 -12.417) 15.175 7.919 ( -8.723 0.000 12.417) 15.175 8.194 ( 5.383 0.000 -8.098) 9.724 8.194 ( -5.383 0.000 8.098) 9.724 8.808 ( -7.732 0.000 -3.763) 8.599 8.808 ( 7.732 0.000 3.763) 8.599 8.979 ( -11.619 0.000 -11.064) 16.044 8.979 ( 11.619 0.000 11.064) 16.044 16.738 ( 1.766 0.000 -2.643) 3.178 16.738 ( -1.766 0.000 2.643) 3.178 16.822 ( -1.631 0.000 -1.557) 2.255 16.822 ( 1.631 0.000 1.557) 2.255 17.408 ( 1.974 0.000 -0.915) 2.175 17.408 ( -1.974 0.000 0.915) 2.175 17.786 ( -0.650 0.000 -1.696) 1.817 17.786 ( 0.650 0.000 1.696) 1.817 22.347 ( -0.007 0.000 -0.037) 0.037 22.347 ( 0.007 0.000 0.037) 0.037 22.538 ( -1.193 0.000 -1.084) 1.612 22.538 ( 1.193 0.000 1.084) 1.612 27.286 ( 0.118 0.000 -0.121) 0.169 27.286 ( -0.118 0.000 0.121) 0.169 27.293 ( -2.922 0.000 0.242) 2.932 27.293 ( 2.922 0.000 -0.242) 2.932 36.716 ( -2.146 0.000 -1.656) 2.710 36.716 ( 2.146 0.000 1.656) 2.710 37.611 ( -7.386 0.000 -6.316) 9.718 37.611 ( 7.386 0.000 6.316) 9.718 38.121 ( 7.258 0.000 -9.164) 11.690 38.121 ( -7.258 0.000 9.164) 11.690 39.119 ( 11.556 0.000 -10.622) 15.696 39.119 ( -11.556 0.000 10.622) 15.696 ======================= Grid point 217 (115/126) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 11.749 10.613 -17.036) 23.258 2.113 ( -11.749 10.613 17.036) 23.258 2.440 ( 6.485 7.493 -19.123) 21.538 2.440 ( -6.485 7.493 19.123) 21.538 2.789 ( -1.016 -4.205 -3.896) 5.822 2.789 ( 1.016 -4.205 3.896) 5.822 3.304 ( 1.233 -5.546 -1.954) 6.008 3.304 ( -1.233 -5.546 1.954) 6.008 3.529 ( -1.646 3.681 -2.823) 4.922 3.529 ( 1.646 3.681 2.823) 4.922 3.735 ( -2.079 6.345 -8.006) 10.425 3.735 ( 2.079 6.345 8.006) 10.425 4.089 ( -4.669 3.500 -13.410) 14.625 4.089 ( 4.669 3.500 13.410) 14.625 4.386 ( 3.112 -11.946 -6.350) 13.882 4.386 ( -3.112 -11.946 6.350) 13.882 4.641 ( 3.682 5.491 -2.435) 7.046 4.641 ( -3.682 5.491 2.435) 7.046 4.894 ( -4.218 6.752 -2.331) 8.296 4.894 ( 4.218 6.752 2.331) 8.296 5.447 ( 3.077 -0.848 -5.256) 6.149 5.447 ( -3.077 -0.848 5.256) 6.149 5.538 ( -1.609 -3.307 -5.863) 6.921 5.538 ( 1.609 -3.307 5.863) 6.921 5.709 ( 5.470 2.261 -8.276) 10.175 5.709 ( -5.470 2.261 8.276) 10.175 6.042 ( 0.052 -4.620 -5.276) 7.013 6.042 ( -0.052 -4.620 5.276) 7.013 6.389 ( -6.156 -2.465 -1.904) 6.899 6.389 ( 6.156 -2.465 1.904) 6.899 6.606 ( 1.256 -5.234 -1.629) 5.624 6.606 ( -1.256 -5.234 1.629) 5.624 7.048 ( -7.941 1.907 -1.891) 8.383 7.048 ( 7.941 1.907 1.891) 8.383 7.141 ( -6.856 2.091 -1.862) 7.406 7.141 ( 6.856 2.091 1.862) 7.406 7.310 ( -0.810 -3.719 -5.056) 6.328 7.310 ( 0.810 -3.719 5.056) 6.328 7.947 ( 9.765 -11.162 -6.165) 16.061 7.947 ( -9.765 -11.162 6.165) 16.061 8.181 ( 5.078 9.498 -8.438) 13.683 8.181 ( -5.078 9.498 8.438) 13.683 8.340 ( -1.080 3.813 -0.288) 3.973 8.340 ( 1.080 3.813 0.288) 3.973 8.694 ( 9.629 14.225 -7.333) 18.677 8.694 ( -9.629 14.225 7.333) 18.677 9.936 ( -1.968 -13.661 -13.815) 19.528 9.936 ( 1.968 -13.661 13.815) 19.528 16.667 ( -0.987 2.663 -0.852) 2.965 16.667 ( 0.987 2.663 0.852) 2.965 16.927 ( 0.652 -1.652 -0.859) 1.973 16.927 ( -0.652 -1.652 0.859) 1.973 17.252 ( -2.455 0.193 -0.044) 2.463 17.252 ( 2.455 0.193 0.044) 2.463 17.488 ( 0.360 -0.708 -1.305) 1.527 17.488 ( -0.360 -0.708 1.305) 1.527 22.404 ( -0.315 0.080 -1.399) 1.436 22.404 ( 0.315 0.080 1.399) 1.436 22.588 ( 1.757 -0.854 -1.037) 2.212 22.588 ( -1.757 -0.854 1.037) 2.212 27.254 ( -0.605 1.323 -0.626) 1.584 27.254 ( 0.605 1.323 0.626) 1.584 27.395 ( -1.634 -1.667 -0.104) 2.336 27.395 ( 1.634 -1.667 0.104) 2.336 36.947 ( -0.227 3.798 -1.128) 3.968 36.947 ( 0.227 3.798 1.128) 3.968 37.253 ( 1.405 -1.101 -4.801) 5.122 37.253 ( -1.405 -1.101 4.801) 5.122 37.920 ( -6.450 5.794 -3.429) 9.324 37.920 ( 6.450 5.794 3.429) 9.324 38.731 ( -6.138 -4.886 -15.566) 17.431 38.731 ( 6.138 -4.886 15.566) 17.431 ======================= Grid point 219 (116/126) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -7.617 14.345 14.451) 21.741 2.280 ( 9.770 7.707 -11.942) 17.247 2.449 ( 3.086 4.408 11.000) 12.245 2.542 ( 7.793 7.525 -12.241) 16.346 2.798 ( 3.119 -4.396 -1.570) 5.614 2.833 ( 2.174 -4.947 2.869) 6.119 3.276 ( -1.438 -4.213 -0.829) 4.528 3.305 ( -0.002 -6.482 0.284) 6.488 3.525 ( 0.290 7.195 5.775) 9.231 3.676 ( 10.417 0.973 6.515) 12.325 3.725 ( 3.295 2.700 -8.535) 9.539 3.879 ( 10.236 7.367 1.597) 12.712 4.033 ( 4.193 4.186 -8.764) 10.578 4.242 ( 3.346 -0.321 11.855) 12.322 4.344 ( 2.169 -9.399 6.592) 11.683 4.487 ( 2.914 -8.545 -0.773) 9.061 4.619 ( 3.895 3.705 4.535) 7.033 4.763 ( 8.085 7.284 -1.926) 11.052 4.855 ( 1.848 5.918 -2.714) 6.768 4.999 ( 4.353 6.549 1.035) 7.931 5.334 ( -4.997 -1.710 4.083) 6.676 5.405 ( -5.112 -2.640 -2.593) 6.311 5.517 ( -1.720 -1.509 6.181) 6.591 5.630 ( 4.182 -1.685 -1.293) 4.690 5.675 ( 4.055 0.730 -4.947) 6.438 5.865 ( 11.066 3.411 -11.073) 16.022 6.061 ( 1.220 -6.452 -0.491) 6.584 6.097 ( 2.862 -1.744 6.696) 7.488 6.259 ( -4.101 -1.179 -2.051) 4.734 6.446 ( -0.974 -3.750 -1.467) 4.143 6.568 ( -3.396 -3.761 -2.256) 5.547 6.650 ( 4.376 -5.379 -4.199) 8.106 6.852 ( -6.382 3.360 -3.020) 7.819 7.007 ( -4.125 2.496 -0.628) 4.862 7.184 ( 0.347 -2.532 -1.362) 2.896 7.264 ( 6.894 -0.989 -0.357) 6.973 7.343 ( 2.513 -9.182 0.922) 9.564 7.406 ( 7.903 4.671 3.015) 9.663 7.789 ( -7.993 -10.949 6.291) 14.945 8.085 ( 4.849 -5.979 -3.751) 8.564 8.118 ( -2.744 6.974 7.064) 10.298 8.265 ( 3.040 17.288 -7.823) 19.217 8.302 ( 0.477 -0.986 -0.338) 1.146 8.407 ( 2.027 5.375 -0.715) 5.789 8.495 ( -9.602 7.021 4.180) 12.608 8.784 ( 2.426 13.490 -6.655) 15.237 9.749 ( -11.455 -12.131 -11.614) 20.329 9.910 ( -10.121 -13.702 12.489) 21.122 16.651 ( -0.201 1.762 -1.347) 2.227 16.693 ( 1.393 2.326 0.536) 2.764 16.892 ( -2.860 -1.756 0.954) 3.489 16.923 ( -0.991 -1.823 -0.352) 2.105 17.248 ( 1.989 1.610 -0.191) 2.566 17.335 ( 5.082 -0.233 0.158) 5.090 17.499 ( 1.480 -0.653 0.912) 1.857 17.514 ( 2.752 -0.456 -0.448) 2.826 22.388 ( -0.730 0.113 -1.354) 1.543 22.405 ( -0.715 -0.185 1.084) 1.311 22.547 ( -1.908 0.091 -0.155) 1.916 22.616 ( 1.144 -1.334 -2.115) 2.750 27.236 ( -0.815 0.602 -0.084) 1.017 27.270 ( 0.635 1.894 0.493) 2.058 27.357 ( -2.249 -1.652 0.253) 2.802 27.421 ( 0.836 -1.445 0.225) 1.685 36.884 ( -4.135 4.447 1.511) 6.257 36.958 ( -0.725 3.315 -0.570) 3.441 37.292 ( 3.743 0.323 4.912) 6.184 37.317 ( 5.731 -1.217 -3.191) 6.672 37.869 ( 1.711 0.362 -0.844) 1.942 38.117 ( 11.877 7.354 5.088) 14.867 38.547 ( -8.080 -3.186 -11.810) 14.660 38.896 ( 5.214 -5.380 18.125) 19.612 ======================= Grid point 220 (117/126) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 1.443 15.373 13.907) 20.780 2.418 ( 8.595 2.627 -6.419) 11.044 2.586 ( 7.773 2.331 2.953) 8.635 2.634 ( 6.848 4.483 -11.991) 14.518 2.837 ( 0.814 -1.100 3.102) 3.391 2.938 ( 7.716 -6.405 2.360) 10.302 3.233 ( -2.048 -2.210 -3.599) 4.693 3.344 ( 3.450 -9.242 0.592) 9.882 3.533 ( -0.981 8.448 3.160) 9.073 3.780 ( 4.076 1.124 -1.944) 4.654 3.920 ( 11.436 0.355 7.439) 13.647 4.079 ( 9.212 4.782 -1.033) 10.430 4.139 ( 6.797 5.256 2.019) 8.826 4.335 ( 4.227 -6.064 10.538) 12.872 4.430 ( 3.490 -5.995 -1.086) 7.021 4.553 ( 4.119 0.267 4.928) 6.428 4.759 ( 6.238 -1.174 3.963) 7.484 4.908 ( 7.982 8.256 -2.181) 11.689 4.950 ( 7.461 3.980 -1.820) 8.649 5.024 ( 0.707 2.025 -1.850) 2.833 5.308 ( 1.236 -2.033 2.057) 3.145 5.398 ( 3.301 1.907 0.849) 3.906 5.504 ( -1.045 -3.069 10.487) 10.976 5.682 ( 2.313 1.304 -3.765) 4.607 5.751 ( 6.043 1.943 -7.214) 9.609 6.012 ( 0.116 -2.906 -4.476) 5.337 6.050 ( 5.227 2.007 0.118) 5.600 6.147 ( 1.042 -1.383 3.200) 3.638 6.273 ( -0.456 -2.771 -1.554) 3.210 6.377 ( -0.241 -1.195 -2.186) 2.503 6.519 ( 1.991 1.394 -7.108) 7.512 6.704 ( 2.416 -5.050 -3.786) 6.758 6.784 ( 0.310 -3.644 -4.348) 5.681 7.031 ( 5.972 -1.218 -3.070) 6.825 7.110 ( -6.431 -3.059 -1.241) 7.229 7.361 ( 0.890 -3.724 -0.277) 3.839 7.406 ( 6.276 -3.209 -3.987) 8.098 7.525 ( 3.978 4.079 4.442) 7.224 7.746 ( -0.016 -2.143 5.424) 5.832 8.032 ( -12.702 7.531 2.183) 14.927 8.066 ( -5.204 6.771 5.156) 9.975 8.223 ( 2.768 4.648 1.240) 5.550 8.317 ( 1.090 -1.007 -0.893) 1.732 8.448 ( 4.447 3.745 -5.766) 8.188 8.480 ( 0.351 0.700 -0.136) 0.795 8.752 ( -3.174 9.582 -4.447) 11.030 9.479 ( -10.845 -9.614 -12.974) 19.452 9.664 ( -19.504 -12.137 10.591) 25.296 16.651 ( 0.718 0.756 -1.584) 1.896 16.721 ( 1.284 0.766 0.532) 1.587 16.837 ( -3.127 -1.898 0.927) 3.774 16.893 ( -1.885 -2.209 -0.124) 2.907 17.303 ( 3.443 2.800 -0.421) 4.458 17.410 ( 2.546 0.189 0.670) 2.640 17.557 ( 4.288 0.022 1.307) 4.483 17.598 ( 6.019 -0.117 -0.667) 6.057 22.370 ( -0.654 0.041 -1.142) 1.317 22.386 ( -1.393 -0.299 0.313) 1.458 22.522 ( -0.638 0.720 -0.517) 1.092 22.615 ( -0.296 -1.302 -2.339) 2.693 27.225 ( -0.329 0.110 0.079) 0.356 27.280 ( 0.324 1.901 0.514) 1.995 27.317 ( -1.952 -1.247 0.676) 2.414 27.425 ( -0.618 -1.177 0.512) 1.424 36.814 ( -3.921 4.799 2.522) 6.691 36.929 ( -2.059 2.868 -0.733) 3.606 37.356 ( 1.793 2.337 3.773) 4.787 37.478 ( 11.670 -2.014 -4.065) 12.521 37.938 ( 3.624 -5.432 2.194) 6.888 38.327 ( -1.682 -6.093 -10.633) 12.370 38.401 ( 7.029 12.367 7.005) 15.856 39.057 ( 4.534 -5.205 19.060) 20.271 ======================= Grid point 221 (118/126) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 6.642 11.568 12.375) 18.196 2.525 ( 4.309 -0.073 -6.784) 8.037 2.727 ( 7.141 4.676 -10.691) 13.680 2.741 ( 8.125 -2.548 -2.461) 8.864 2.900 ( 5.550 0.905 6.270) 8.422 3.101 ( 7.666 -6.130 3.707) 10.492 3.181 ( -2.376 -2.079 -2.308) 3.911 3.375 ( -0.430 -5.993 -3.030) 6.729 3.589 ( 6.240 5.148 6.060) 10.108 3.835 ( 1.611 -0.206 1.512) 2.219 4.114 ( 4.699 0.394 9.308) 10.434 4.166 ( 1.720 2.782 -1.458) 3.581 4.279 ( 5.059 4.514 5.060) 8.460 4.421 ( -0.485 -4.393 7.056) 8.326 4.518 ( 7.050 -4.294 -7.039) 10.849 4.633 ( 4.908 -1.703 3.945) 6.523 4.856 ( 5.130 0.231 -1.731) 5.419 5.021 ( 2.718 2.077 -1.716) 3.827 5.035 ( 3.510 -6.331 2.074) 7.530 5.138 ( 9.558 9.763 -1.840) 13.786 5.370 ( 1.929 -8.738 -0.077) 8.949 5.436 ( 3.534 6.045 5.320) 8.794 5.608 ( 5.965 0.843 6.628) 8.957 5.703 ( 0.177 5.910 -0.116) 5.914 5.822 ( 3.165 1.259 -3.852) 5.142 5.994 ( -1.814 1.334 7.639) 7.964 6.062 ( -5.522 -4.625 -1.100) 7.286 6.149 ( 4.505 2.709 -2.507) 5.824 6.285 ( 2.877 1.173 -3.482) 4.667 6.425 ( 3.100 -0.216 -4.572) 5.528 6.592 ( 7.615 0.471 -9.528) 12.206 6.724 ( 1.686 -2.664 0.192) 3.158 6.839 ( -1.817 -8.364 -1.172) 8.639 6.910 ( -2.763 -8.917 -3.208) 9.871 7.220 ( 9.535 1.850 -6.295) 11.575 7.340 ( 0.433 2.845 -1.273) 3.147 7.505 ( 4.929 0.467 -3.266) 5.931 7.595 ( -13.974 9.667 0.061) 16.992 7.638 ( 6.975 4.957 1.253) 8.648 7.941 ( 3.001 -2.480 -4.319) 5.814 8.054 ( -0.364 5.419 12.716) 13.827 8.243 ( -2.906 3.521 1.404) 4.777 8.360 ( -7.741 -4.306 2.876) 9.313 8.404 ( 6.257 -1.750 3.642) 7.449 8.498 ( -1.356 8.184 -7.319) 11.063 8.661 ( -3.958 0.692 1.184) 4.189 9.283 ( -5.112 -7.023 -15.234) 17.536 9.297 ( -21.475 -9.662 7.006) 24.569 16.666 ( 1.530 -0.109 -1.625) 2.234 16.739 ( 0.198 -0.654 0.886) 1.119 16.790 ( -2.066 -2.089 0.839) 3.055 16.858 ( -1.727 -2.595 -0.292) 3.131 17.363 ( 2.934 3.255 -0.344) 4.396 17.445 ( 1.033 0.921 0.844) 1.621 17.657 ( 5.381 0.834 1.291) 5.597 17.709 ( 5.454 0.331 -0.764) 5.517 22.356 ( -0.410 -0.005 -0.758) 0.862 22.363 ( -0.906 -0.106 -0.230) 0.940 22.516 ( 0.029 0.649 -0.223) 0.687 22.593 ( -1.141 -0.996 -2.034) 2.536 27.227 ( 0.567 0.018 -0.026) 0.568 27.285 ( -0.163 0.331 0.427) 0.564 27.293 ( -0.755 0.262 0.967) 1.255 27.400 ( -2.261 -0.853 0.699) 2.516 36.760 ( -2.736 4.561 2.751) 5.988 36.876 ( -3.163 2.639 -0.875) 4.211 37.404 ( 2.304 1.767 3.125) 4.266 37.679 ( 10.138 -4.292 -7.198) 13.153 37.961 ( -1.740 -4.420 0.725) 4.806 38.207 ( -3.512 -1.737 -0.311) 3.931 38.667 ( 14.699 7.441 1.278) 16.524 39.182 ( 1.268 -4.212 17.177) 17.731 ======================= Grid point 222 (119/126) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 6.548 6.598 9.355) 13.189 2.512 ( -2.929 1.972 -6.248) 7.177 2.839 ( 9.116 2.892 -7.010) 11.858 2.885 ( 8.027 -4.683 -3.473) 9.921 3.041 ( 4.187 -0.785 2.276) 4.830 3.122 ( -3.557 -1.936 0.542) 4.085 3.233 ( 4.816 -5.070 3.433) 7.790 3.347 ( -1.095 -2.993 -0.252) 3.196 3.751 ( 7.520 1.908 2.758) 8.233 3.862 ( 0.374 -1.533 5.329) 5.558 4.122 ( -1.279 1.184 -2.351) 2.926 4.222 ( 0.986 3.015 7.642) 8.274 4.304 ( -4.006 -0.215 2.386) 4.668 4.383 ( -2.892 3.260 1.651) 4.660 4.641 ( 8.906 -5.716 -7.353) 12.886 4.778 ( 7.111 -4.469 -2.606) 8.793 4.964 ( 5.385 -0.761 2.152) 5.849 5.025 ( -2.268 -5.714 2.113) 6.500 5.090 ( 4.210 -3.661 -1.415) 5.756 5.260 ( 2.606 2.138 0.703) 3.443 5.414 ( 4.774 -0.840 0.883) 4.927 5.561 ( 0.387 3.423 5.718) 6.676 5.624 ( -0.599 5.958 -0.786) 6.039 5.746 ( -7.799 0.585 -0.060) 7.821 5.774 ( 5.048 5.216 2.604) 7.711 5.972 ( 0.459 1.175 3.084) 3.332 6.125 ( 5.950 4.792 1.279) 7.746 6.200 ( 1.254 0.756 -2.109) 2.567 6.307 ( 2.914 -1.658 -2.699) 4.304 6.465 ( 2.120 -0.319 -3.709) 4.284 6.621 ( -4.836 0.578 -5.874) 7.631 6.680 ( -6.245 0.786 1.150) 6.399 6.783 ( 3.834 -3.137 2.488) 5.544 6.918 ( -2.357 -9.026 -3.727) 10.046 7.264 ( 2.212 1.213 -4.631) 5.274 7.413 ( -4.963 -4.426 -0.368) 6.660 7.499 ( 13.340 0.394 -3.501) 13.797 7.638 ( 10.983 11.829 -1.154) 16.183 7.804 ( 11.033 4.793 -5.695) 13.309 7.963 ( 0.064 0.668 -1.012) 1.214 8.077 ( -5.381 6.416 10.172) 13.176 8.116 ( -8.691 3.578 -0.416) 9.408 8.208 ( -6.619 1.282 1.819) 6.983 8.344 ( -10.126 4.344 -1.348) 11.101 8.611 ( 8.059 -6.555 4.299) 11.243 8.675 ( 6.619 -2.735 6.029) 9.362 8.947 ( -16.339 -8.194 2.754) 18.485 9.135 ( -6.332 -5.569 -14.457) 16.737 16.693 ( 1.870 -1.040 -2.006) 2.933 16.736 ( -0.950 -1.382 1.384) 2.175 16.771 ( -0.184 -2.183 1.517) 2.665 16.825 ( -1.598 -2.656 -0.989) 3.253 17.411 ( 2.279 3.244 -0.345) 3.980 17.456 ( -0.137 1.850 0.736) 1.995 17.752 ( 3.783 1.095 1.196) 4.116 17.784 ( 2.672 0.730 -0.929) 2.922 22.349 ( -0.163 0.015 -0.314) 0.354 22.351 ( -0.316 0.043 -0.279) 0.424 22.521 ( 0.483 0.279 0.272) 0.620 22.562 ( -1.290 -0.596 -1.500) 2.066 27.248 ( 1.801 0.074 -0.308) 1.828 27.282 ( -0.045 -0.580 0.521) 0.781 27.290 ( -0.205 0.807 0.473) 0.957 27.349 ( -3.201 -0.441 0.683) 3.303 36.736 ( -0.618 3.975 2.417) 4.693 36.810 ( -3.251 2.784 -1.209) 4.447 37.473 ( 3.842 -0.144 3.519) 5.212 37.705 ( -4.217 -6.378 -7.276) 10.555 37.998 ( 6.941 0.733 -3.628) 7.867 38.171 ( -2.908 -1.739 5.991) 6.883 38.932 ( 13.350 3.814 -3.640) 14.353 39.213 ( -3.957 -2.235 13.066) 13.834 ======================= Grid point 223 (120/126) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -5.337 3.982 -7.475) 10.011 2.402 ( 5.337 3.982 7.475) 10.011 2.975 ( 2.404 -2.585 -3.126) 4.715 2.975 ( -2.404 -2.585 3.126) 4.715 3.047 ( 2.480 -1.518 -2.504) 3.837 3.047 ( -2.480 -1.518 2.504) 3.837 3.318 ( -2.123 -2.931 -1.621) 3.965 3.318 ( 2.123 -2.931 1.621) 3.965 3.856 ( 3.821 -1.103 -3.913) 5.579 3.856 ( -3.821 -1.103 3.913) 5.579 4.158 ( 2.879 1.491 -6.055) 6.869 4.158 ( -2.879 1.491 6.055) 6.869 4.318 ( -1.920 3.941 -6.740) 8.041 4.318 ( 1.920 3.941 6.740) 8.041 4.781 ( 2.939 -7.658 -4.284) 9.254 4.781 ( -2.940 -7.658 4.284) 9.254 5.008 ( 1.250 -4.323 -5.645) 7.219 5.008 ( -1.250 -4.323 5.645) 7.219 5.225 ( 1.309 -0.647 -2.452) 2.853 5.225 ( -1.309 -0.647 2.452) 2.853 5.503 ( 1.480 0.159 -6.886) 7.045 5.503 ( -1.480 0.159 6.886) 7.045 5.629 ( 1.261 5.125 -1.859) 5.595 5.629 ( -1.261 5.125 1.859) 5.595 5.926 ( -0.621 5.232 -2.429) 5.802 5.926 ( 0.621 5.232 2.429) 5.802 6.195 ( -1.093 3.579 -3.207) 4.928 6.195 ( 1.093 3.579 3.207) 4.928 6.411 ( -5.642 -1.823 -3.895) 7.094 6.411 ( 5.642 -1.823 3.895) 7.094 6.569 ( 0.180 2.508 -5.777) 6.301 6.569 ( -0.180 2.508 5.777) 6.301 6.861 ( -2.484 -5.705 -4.352) 7.594 6.861 ( 2.484 -5.705 4.352) 7.594 7.320 ( -1.298 -3.701 -0.431) 3.945 7.320 ( 1.298 -3.701 0.431) 3.945 7.756 ( 8.610 -2.324 -5.595) 10.528 7.756 ( -8.610 -2.324 5.595) 10.528 7.923 ( -0.605 11.851 -6.682) 13.618 7.923 ( 0.605 11.851 6.682) 13.618 7.990 ( -2.989 8.077 -3.945) 9.473 7.990 ( 2.989 8.077 3.945) 9.473 8.186 ( 4.315 -0.154 -5.296) 6.833 8.186 ( -4.315 -0.154 5.296) 6.833 8.725 ( -6.676 -7.001 -2.149) 9.910 8.725 ( 6.676 -7.001 2.149) 9.910 8.922 ( -11.102 -5.218 -11.629) 16.903 8.922 ( 11.102 -5.218 11.629) 16.903 16.718 ( 1.269 -1.628 -2.393) 3.161 16.718 ( -1.269 -1.628 2.393) 3.161 16.791 ( -1.369 -2.302 -1.745) 3.197 16.791 ( 1.369 -2.302 1.745) 3.197 17.444 ( 0.290 2.732 -0.409) 2.777 17.444 ( -0.290 2.732 0.409) 2.777 17.799 ( -0.465 0.992 -1.445) 1.813 17.799 ( 0.465 0.992 1.445) 1.813 22.347 ( -0.056 0.062 -0.037) 0.091 22.347 ( 0.056 0.062 0.037) 0.091 22.536 ( -0.969 -0.163 -0.880) 1.319 22.536 ( 0.969 -0.163 0.880) 1.319 27.286 ( 0.117 0.017 -0.436) 0.451 27.286 ( -0.117 0.017 0.436) 0.451 27.292 ( -1.889 -0.071 -0.154) 1.897 27.292 ( 1.889 -0.071 0.154) 1.897 36.755 ( -1.391 3.296 -2.282) 4.243 36.755 ( 1.391 3.296 2.282) 4.243 37.578 ( -4.795 -2.886 -5.959) 8.175 37.578 ( 4.795 -2.886 5.959) 8.175 38.111 ( 5.714 -0.656 -6.455) 8.646 38.111 ( -5.714 -0.656 6.455) 8.646 39.126 ( 9.156 0.521 -8.355) 12.406 39.126 ( -9.156 0.521 8.355) 12.406 ======================= Grid point 229 (121/126) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 4.520 5.763 -10.265) 12.610 2.315 ( -4.520 5.763 10.265) 12.610 2.599 ( 6.733 4.597 -10.893) 13.606 2.599 ( -6.733 4.597 10.893) 13.606 2.724 ( -1.226 -0.571 -6.793) 6.926 2.724 ( 1.226 -0.571 6.793) 6.926 3.173 ( 1.070 -4.932 -3.162) 5.955 3.173 ( -1.070 -4.932 3.162) 5.955 3.635 ( 0.286 4.543 -3.113) 5.515 3.635 ( -0.286 4.543 3.113) 5.515 3.855 ( -4.231 4.452 -5.340) 8.139 3.855 ( 4.231 4.452 5.340) 8.139 4.097 ( -1.599 -7.430 -8.641) 11.508 4.097 ( 1.599 -7.430 8.641) 11.508 4.197 ( -0.494 -0.005 -1.414) 1.498 4.197 ( 0.494 -0.005 1.414) 1.498 4.838 ( 3.885 10.192 -3.382) 11.420 4.838 ( -3.885 10.192 3.382) 11.420 4.984 ( -1.556 1.032 -4.110) 4.514 4.984 ( 1.556 1.032 4.110) 4.514 5.400 ( 0.762 -4.199 -3.873) 5.763 5.400 ( -0.762 -4.199 3.873) 5.763 5.477 ( -2.830 -1.409 -1.707) 3.593 5.477 ( 2.830 -1.409 1.707) 3.593 5.685 ( -0.905 -2.490 -6.443) 6.967 5.685 ( 0.905 -2.490 6.443) 6.967 5.979 ( -0.960 -1.149 -4.947) 5.169 5.979 ( 0.960 -1.149 4.947) 5.169 6.361 ( -3.053 1.379 -4.887) 5.925 6.361 ( 3.053 1.379 4.887) 5.925 6.484 ( -0.612 -5.568 -5.056) 7.546 6.484 ( 0.612 -5.568 5.056) 7.546 7.053 ( 0.965 -0.173 -2.462) 2.650 7.053 ( -0.965 -0.173 2.462) 2.650 7.178 ( -1.485 0.148 -0.750) 1.670 7.178 ( 1.485 0.148 0.750) 1.670 7.320 ( -6.051 3.356 -1.736) 7.133 7.320 ( 6.051 3.356 1.736) 7.133 7.722 ( 7.528 -7.315 -3.233) 10.983 7.722 ( -7.528 -7.315 3.233) 10.983 8.323 ( 1.089 3.162 -2.529) 4.193 8.323 ( -1.089 3.162 2.529) 4.193 8.441 ( 0.037 3.214 -1.363) 3.491 8.441 ( -0.037 3.214 1.363) 3.491 9.073 ( 5.103 20.456 -9.234) 23.016 9.073 ( -5.103 20.456 9.234) 23.016 9.545 ( 0.284 -20.970 -11.125) 23.739 9.545 ( -0.284 -20.970 11.125) 23.739 16.737 ( -0.976 3.055 -0.417) 3.234 16.737 ( 0.976 3.055 0.417) 3.234 16.876 ( -0.083 -2.515 -0.479) 2.562 16.876 ( 0.083 -2.515 0.479) 2.562 17.258 ( -0.809 0.225 -0.092) 0.845 17.258 ( 0.809 0.225 0.092) 0.845 17.473 ( 0.136 -0.476 -0.512) 0.712 17.473 ( -0.136 -0.476 0.512) 0.712 22.405 ( -0.144 0.060 -0.581) 0.602 22.405 ( 0.144 0.060 0.581) 0.602 22.571 ( 0.142 -0.517 -0.243) 0.589 22.571 ( -0.142 -0.517 0.243) 0.589 27.291 ( -1.342 1.956 -0.496) 2.423 27.291 ( 1.342 1.956 0.496) 2.423 27.350 ( -1.609 -2.151 -0.303) 2.703 27.350 ( 1.609 -2.151 0.303) 2.703 37.024 ( 0.254 2.434 -1.166) 2.711 37.024 ( -0.254 2.434 1.166) 2.711 37.226 ( 0.535 -1.003 -2.202) 2.478 37.226 ( -0.535 -1.003 2.202) 2.478 38.062 ( -5.028 5.373 -3.810) 8.287 38.062 ( 5.028 5.373 3.810) 8.287 38.610 ( -3.872 -4.671 -8.225) 10.221 38.610 ( 3.872 -4.671 8.225) 10.221 ======================= Grid point 231 (122/126) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -1.619 12.720 11.653) 17.327 2.433 ( 8.095 1.924 -3.912) 9.194 2.533 ( -3.289 3.956 9.205) 10.545 2.663 ( 0.993 -6.249 -4.295) 7.647 2.709 ( 5.987 6.029 -11.764) 14.512 2.784 ( 2.308 -0.488 3.311) 4.066 3.146 ( -0.687 -3.793 0.198) 3.860 3.184 ( 0.092 -5.307 -3.164) 6.179 3.679 ( 2.529 5.360 3.380) 6.822 3.724 ( 6.233 1.432 4.581) 7.867 3.801 ( 2.069 6.057 -4.379) 7.755 3.989 ( 7.063 -4.834 -1.760) 8.737 4.050 ( 1.543 -0.235 7.285) 7.450 4.137 ( 5.091 -2.109 0.818) 5.570 4.274 ( 4.898 0.957 4.745) 6.887 4.348 ( 9.829 -3.828 0.657) 10.568 4.785 ( -1.587 10.114 3.541) 10.833 4.933 ( 0.668 -0.205 -1.727) 1.863 4.986 ( 9.070 9.660 -3.884) 13.808 5.067 ( 3.394 0.795 -0.294) 3.498 5.271 ( -5.690 -3.437 0.137) 6.649 5.319 ( -2.735 -5.313 -0.338) 5.985 5.516 ( -0.492 2.396 1.122) 2.691 5.584 ( 5.696 -2.584 -2.262) 6.651 5.688 ( 5.223 2.092 -0.300) 5.634 5.817 ( 6.758 -8.751 1.225) 11.124 5.994 ( 3.472 2.036 2.174) 4.575 6.055 ( 4.595 -2.917 7.726) 9.450 6.271 ( -2.630 4.323 -9.966) 11.177 6.393 ( -0.234 -1.853 -2.338) 2.992 6.455 ( 0.259 -4.292 -6.411) 7.720 6.515 ( 1.489 -5.976 -0.825) 6.214 6.960 ( -7.609 4.615 -3.631) 9.611 7.015 ( -4.084 -1.121 -1.985) 4.677 7.183 ( 0.918 1.319 1.063) 1.927 7.218 ( 0.972 -2.604 4.119) 4.969 7.264 ( 3.720 2.584 -2.080) 4.984 7.398 ( 0.613 -7.194 4.447) 8.480 7.698 ( 4.796 5.413 0.682) 7.264 7.886 ( 9.227 -10.098 -3.076) 14.020 8.272 ( -4.058 5.001 5.489) 8.462 8.311 ( -1.951 0.813 2.873) 3.567 8.476 ( 2.251 2.226 -0.958) 3.308 8.481 ( 1.883 1.728 -1.351) 2.891 8.861 ( -13.801 23.657 1.590) 27.435 9.124 ( -0.735 17.189 -6.247) 18.304 9.378 ( -10.701 -20.961 -5.419) 24.150 9.538 ( -6.040 -18.958 2.242) 20.022 16.709 ( -1.424 3.222 -0.838) 3.621 16.744 ( -0.246 1.334 0.115) 1.362 16.844 ( -2.479 -1.561 0.553) 2.981 16.871 ( -1.303 -2.752 0.256) 3.056 17.289 ( 3.728 1.931 0.011) 4.198 17.322 ( 4.877 -1.011 0.073) 4.981 17.490 ( 2.205 0.021 0.352) 2.233 17.500 ( 2.825 -0.728 -0.031) 2.918 22.392 ( -0.877 0.285 -0.754) 1.191 22.399 ( -0.902 -0.346 0.181) 0.983 22.556 ( -0.575 0.817 -0.513) 1.123 22.583 ( 0.525 -1.537 -1.149) 1.990 27.262 ( -1.468 1.691 -0.198) 2.248 27.301 ( -1.109 -0.984 0.178) 1.493 27.330 ( 0.089 1.261 0.585) 1.393 27.378 ( 1.006 -2.313 0.578) 2.587 36.987 ( -2.939 3.985 1.512) 5.177 37.018 ( -1.521 1.292 0.431) 2.041 37.277 ( 5.930 -0.799 -0.485) 6.003 37.288 ( 4.787 -1.485 0.826) 5.080 37.978 ( -1.943 8.679 -4.999) 10.203 38.159 ( 3.598 -5.255 -3.534) 7.283 38.556 ( 0.351 5.957 3.790) 7.069 38.737 ( 5.182 -8.792 13.924) 17.263 ======================= Grid point 232 (123/126) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.339 15.088 9.172) 17.660 2.523 ( 1.058 4.216 0.151) 4.349 2.566 ( 5.450 -2.872 -0.471) 6.179 2.714 ( 5.429 -3.880 0.572) 6.697 2.792 ( 6.082 1.117 -5.724) 8.426 2.858 ( 5.781 0.141 0.528) 5.807 3.158 ( 1.091 -4.470 -3.134) 5.567 3.172 ( 0.814 -4.046 0.332) 4.140 3.693 ( -0.416 5.778 -1.196) 5.916 3.778 ( 1.950 -1.759 -2.881) 3.899 3.978 ( 10.187 4.733 10.129) 15.125 4.118 ( 6.882 -7.786 13.630) 17.139 4.189 ( 7.146 4.786 0.127) 8.601 4.291 ( 8.195 -4.356 -1.246) 9.364 4.341 ( 2.126 7.256 4.017) 8.562 4.515 ( 6.475 -5.743 1.853) 8.851 4.797 ( 0.571 5.076 3.732) 6.326 4.909 ( -1.514 -3.816 -0.855) 4.194 5.083 ( 1.385 4.364 -2.823) 5.379 5.187 ( 9.887 4.128 -3.495) 11.270 5.206 ( -0.228 0.687 -0.411) 0.833 5.389 ( 7.387 -5.915 0.814) 9.498 5.529 ( 2.797 7.285 1.306) 7.912 5.670 ( 5.773 -3.460 -3.151) 7.431 5.788 ( 3.891 2.444 0.787) 4.662 5.902 ( 1.602 -7.608 3.427) 8.497 6.095 ( 2.242 3.589 6.509) 7.763 6.176 ( 5.870 1.961 -0.998) 6.269 6.252 ( 5.431 2.022 -4.384) 7.266 6.378 ( 1.023 0.743 -4.313) 4.494 6.450 ( 2.517 -5.552 -7.017) 9.295 6.536 ( 1.684 -8.572 -3.060) 9.256 6.787 ( -7.011 3.484 -6.712) 10.313 6.889 ( -8.381 -5.783 -3.632) 10.810 7.225 ( 4.514 6.035 1.944) 7.783 7.295 ( 4.276 -1.925 0.927) 4.780 7.371 ( 8.721 1.067 -4.947) 10.083 7.481 ( 8.290 -6.732 1.329) 10.762 7.817 ( 5.471 8.372 3.631) 10.639 8.016 ( 4.377 -8.429 1.518) 9.618 8.210 ( -7.678 7.042 7.809) 13.020 8.291 ( -1.501 -0.561 2.886) 3.301 8.371 ( -12.492 3.950 4.267) 13.779 8.440 ( -8.005 -2.698 4.940) 9.786 8.715 ( 1.462 19.044 -9.540) 21.350 9.022 ( -7.314 14.008 -5.586) 16.761 9.163 ( -7.536 -18.834 -10.647) 22.910 9.350 ( -13.866 -15.229 1.696) 20.665 16.685 ( -0.600 2.449 -1.450) 2.909 16.736 ( -0.510 -0.804 -0.534) 1.092 16.795 ( -2.802 -0.281 1.037) 3.001 16.836 ( -2.285 -2.804 0.587) 3.664 17.366 ( 3.771 2.546 0.369) 4.565 17.404 ( 3.297 -0.933 0.625) 3.483 17.567 ( 5.632 0.844 0.345) 5.706 17.587 ( 6.237 -0.831 -0.143) 6.294 22.372 ( -0.846 0.202 -0.762) 1.156 22.378 ( -1.127 -0.359 -0.219) 1.203 22.545 ( -0.355 1.397 -0.834) 1.665 22.580 ( -0.236 -1.745 -1.496) 2.311 27.240 ( -0.770 1.227 0.054) 1.450 27.274 ( -1.292 -1.789 0.290) 2.225 27.337 ( -0.058 2.444 0.888) 2.601 27.388 ( -0.304 -2.125 0.803) 2.292 36.931 ( -3.707 4.845 2.591) 6.628 36.979 ( -2.771 0.725 0.819) 2.979 37.381 ( 4.641 0.504 -0.206) 4.673 37.421 ( 8.442 -2.976 -0.869) 8.993 37.950 ( 0.513 6.487 -3.680) 7.476 38.147 ( -1.393 -9.829 -8.242) 12.903 38.666 ( 7.276 11.725 11.159) 17.746 38.897 ( 5.959 -9.292 15.361) 18.916 ======================= Grid point 233 (124/126) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 1.712 11.065 4.520) 12.075 2.533 ( 0.286 -3.264 0.246) 3.286 2.686 ( 7.595 2.372 -2.730) 8.412 2.815 ( 4.495 -2.799 -0.395) 5.310 2.905 ( 7.395 2.614 -5.018) 9.312 3.001 ( 7.946 -1.948 2.343) 8.510 3.145 ( -0.547 -0.508 -1.640) 1.802 3.221 ( 2.736 -6.349 -0.458) 6.929 3.708 ( 2.339 5.053 3.312) 6.478 3.800 ( 0.880 -3.144 1.340) 3.529 4.166 ( 4.956 4.578 8.583) 10.918 4.255 ( -0.044 4.305 1.073) 4.437 4.299 ( 4.249 -6.758 8.656) 11.776 4.319 ( 0.543 -1.588 5.314) 5.572 4.495 ( 9.390 3.910 -2.299) 10.429 4.604 ( 3.493 -3.168 4.063) 6.224 4.814 ( 0.085 -0.438 2.677) 2.714 4.898 ( -0.635 -5.653 1.469) 5.875 5.101 ( 1.619 3.758 -4.565) 6.130 5.188 ( 0.877 -4.384 -3.125) 5.455 5.374 ( 9.393 7.935 -3.132) 12.688 5.527 ( 7.007 -4.795 -2.007) 8.725 5.630 ( 4.416 7.678 4.944) 10.144 5.781 ( 3.275 -3.191 3.261) 5.616 5.845 ( 4.521 3.542 -2.030) 6.092 5.902 ( -0.850 -4.644 1.362) 4.914 6.148 ( 4.724 8.207 0.909) 9.513 6.268 ( 2.096 5.621 -2.299) 6.425 6.297 ( -1.497 0.604 -1.177) 1.998 6.424 ( 4.317 2.354 -2.852) 5.684 6.515 ( 3.960 -9.971 -1.498) 10.833 6.571 ( 3.365 -10.097 -2.419) 10.914 6.696 ( -0.940 -0.660 -7.235) 7.326 6.749 ( -0.016 -4.645 -5.692) 7.347 7.323 ( 4.132 5.245 0.265) 6.682 7.378 ( 4.977 0.018 -1.318) 5.149 7.561 ( 12.213 5.359 -7.559) 15.331 7.675 ( 9.709 -1.882 -1.397) 9.988 7.893 ( -17.141 11.217 8.015) 21.997 7.916 ( 1.703 2.667 2.266) 3.892 8.089 ( 0.038 -2.312 8.904) 9.199 8.199 ( -10.960 -7.097 9.226) 15.988 8.311 ( -1.831 -0.705 0.408) 2.004 8.333 ( 3.472 -1.415 0.154) 3.753 8.714 ( -2.292 10.284 -1.816) 10.692 8.813 ( -10.466 12.615 -9.384) 18.888 9.008 ( -12.131 -14.364 1.978) 18.905 9.093 ( -7.161 -11.162 -12.430) 18.177 16.676 ( 0.147 1.258 -1.755) 2.164 16.720 ( -0.909 -2.240 -1.102) 2.657 16.756 ( -1.710 0.649 1.592) 2.425 16.797 ( -1.953 -2.664 0.602) 3.357 17.429 ( 2.782 2.357 0.603) 3.695 17.456 ( 2.106 -0.179 0.807) 2.263 17.683 ( 6.012 1.375 0.298) 6.174 17.707 ( 5.905 -0.620 -0.193) 5.941 22.357 ( -0.480 0.100 -0.556) 0.741 22.360 ( -0.646 -0.169 -0.351) 0.754 22.536 ( -0.307 1.195 -0.704) 1.421 22.565 ( -0.737 -1.406 -1.374) 2.099 27.236 ( 0.354 0.828 0.074) 0.904 27.260 ( -0.261 -1.345 0.386) 1.423 27.331 ( -0.886 2.022 0.864) 2.371 27.372 ( -1.699 -1.650 0.875) 2.525 36.872 ( -3.359 4.775 2.857) 6.499 36.923 ( -3.409 0.541 0.798) 3.543 37.446 ( 2.307 2.550 -0.435) 3.466 37.546 ( 4.397 -6.576 -2.998) 8.460 37.969 ( 2.796 4.621 -2.391) 5.906 38.105 ( 0.139 -6.613 -4.123) 7.794 38.861 ( 8.810 9.470 8.259) 15.347 39.051 ( 4.392 -7.698 13.172) 15.876 ======================= Grid point 234 (125/126) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 3.218 7.125 3.316) 8.492 2.532 ( -0.812 -2.025 -0.495) 2.238 2.811 ( 6.244 0.158 -2.969) 6.916 2.881 ( 3.056 -2.645 -2.897) 4.972 2.997 ( 4.029 2.006 -4.045) 6.051 3.099 ( -0.680 -4.005 -2.603) 4.825 3.170 ( 4.886 1.887 4.564) 6.947 3.255 ( 0.933 -4.653 0.732) 4.802 3.792 ( 3.915 1.770 3.557) 5.577 3.828 ( 1.064 -1.524 3.748) 4.183 4.170 ( -2.811 3.280 1.671) 4.632 4.250 ( -4.936 -3.211 1.436) 6.061 4.323 ( 4.302 4.776 5.892) 8.720 4.418 ( 3.132 -2.482 3.488) 5.304 4.624 ( 4.663 3.816 -3.774) 7.109 4.720 ( 4.654 1.362 5.168) 7.086 4.786 ( -2.623 -8.039 1.397) 8.571 4.888 ( -1.295 -7.871 3.562) 8.736 5.138 ( 5.176 3.674 -6.222) 8.888 5.212 ( 2.274 -3.269 -0.933) 4.090 5.512 ( 5.964 6.451 -3.889) 9.607 5.623 ( 1.668 -3.243 -0.930) 3.764 5.635 ( -3.740 3.655 5.745) 7.769 5.733 ( -4.799 -3.964 -0.148) 6.226 5.982 ( 4.924 3.408 2.404) 6.453 5.988 ( 9.243 6.885 -2.864) 11.876 6.221 ( 1.360 2.015 -0.221) 2.441 6.243 ( -0.629 1.401 -0.745) 1.707 6.291 ( 1.747 3.026 -0.171) 3.499 6.440 ( -1.794 -2.870 -4.091) 5.309 6.538 ( 1.793 -3.798 -0.736) 4.264 6.634 ( 3.022 -8.252 -1.785) 8.967 6.720 ( 4.567 3.525 -3.372) 6.682 6.813 ( 3.310 -3.688 -2.272) 5.451 7.345 ( -3.085 4.037 0.757) 5.137 7.392 ( -8.660 -0.075 1.253) 8.751 7.556 ( 2.723 7.869 0.456) 8.339 7.775 ( -5.988 -6.181 5.691) 10.318 7.889 ( 16.750 4.645 -12.374) 21.337 7.977 ( 7.276 -2.615 -7.764) 10.957 8.090 ( 2.269 8.271 10.285) 13.391 8.221 ( 3.213 0.081 9.737) 10.254 8.271 ( -4.008 4.086 2.373) 6.196 8.426 ( -0.417 -8.352 2.643) 8.770 8.527 ( -7.472 6.429 0.763) 9.887 8.681 ( -4.615 1.607 -4.414) 6.586 8.748 ( -11.583 -3.412 3.271) 12.511 8.956 ( -5.632 -10.708 -14.008) 18.510 16.676 ( 0.503 -0.051 -1.481) 1.565 16.699 ( -0.879 -1.894 -0.595) 2.171 16.742 ( -0.426 0.093 1.561) 1.620 16.769 ( -1.262 -2.180 0.040) 2.519 17.475 ( 1.800 2.067 0.399) 2.770 17.489 ( 1.043 0.696 0.557) 1.372 17.778 ( 3.693 1.146 0.297) 3.878 17.793 ( 3.109 -0.088 -0.256) 3.121 22.350 ( -0.143 0.077 -0.250) 0.299 22.351 ( -0.216 -0.042 -0.240) 0.325 22.530 ( -0.075 0.615 -0.272) 0.676 22.546 ( -0.748 -0.809 -0.942) 1.450 27.253 ( 1.516 0.444 -0.165) 1.588 27.267 ( 0.759 -0.729 0.172) 1.066 27.312 ( -1.375 1.099 0.648) 1.876 27.334 ( -2.490 -0.900 0.759) 2.754 36.832 ( -1.688 3.884 2.265) 4.802 36.864 ( -2.710 1.204 0.093) 2.967 37.475 ( 1.326 1.161 0.195) 1.773 37.555 ( -1.333 -6.164 -3.339) 7.135 38.038 ( 4.730 2.966 -2.189) 5.996 38.112 ( 0.565 -3.439 0.079) 3.486 39.034 ( 7.097 5.212 2.833) 9.250 39.141 ( 0.738 -4.325 8.613) 9.666 ======================= Grid point 235 (126/126) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -2.749 3.005 -2.696) 4.884 2.490 ( 2.749 3.005 2.696) 4.884 2.888 ( -1.306 -3.528 -1.025) 3.899 2.888 ( 1.306 -3.528 1.025) 3.899 3.050 ( 0.441 0.973 -2.216) 2.460 3.050 ( -0.441 0.973 2.216) 2.460 3.252 ( -0.887 -2.400 -1.645) 3.042 3.252 ( 0.887 -2.400 1.645) 3.042 3.844 ( 1.183 -0.102 -1.789) 2.147 3.844 ( -1.183 -0.102 1.789) 2.147 4.169 ( -0.366 -0.218 -2.006) 2.051 4.169 ( 0.366 -0.218 2.006) 2.051 4.423 ( -3.149 3.758 -2.669) 5.582 4.423 ( 3.149 3.758 2.669) 5.582 4.677 ( 4.413 -0.052 -3.795) 5.821 4.677 ( -4.413 -0.052 3.795) 5.821 4.854 ( 1.312 -7.776 -3.207) 8.513 4.854 ( -1.312 -7.776 3.207) 8.513 5.223 ( 3.010 -0.479 -3.511) 4.650 5.223 ( -3.010 -0.479 3.511) 4.650 5.557 ( 2.251 5.395 -5.606) 8.099 5.557 ( -2.251 5.395 5.606) 8.099 5.668 ( -1.776 -2.827 -5.189) 6.170 5.668 ( 1.776 -2.827 5.189) 6.170 6.049 ( -0.377 4.558 -4.693) 6.553 6.049 ( 0.377 4.558 4.693) 6.553 6.258 ( -0.053 2.833 -3.634) 4.608 6.258 ( 0.053 2.833 3.634) 4.608 6.346 ( -5.132 -3.956 -4.386) 7.824 6.346 ( 5.132 -3.956 4.386) 7.824 6.612 ( -3.863 -0.115 -3.037) 4.915 6.612 ( 3.863 -0.115 3.037) 4.915 6.797 ( -1.264 1.090 -3.054) 3.481 6.797 ( 1.264 1.090 3.054) 3.481 7.290 ( 2.174 -0.450 -2.036) 3.012 7.290 ( -2.174 -0.450 2.036) 3.012 7.667 ( 1.716 -3.588 -1.466) 4.238 7.667 ( -1.716 -3.588 1.466) 4.238 8.118 ( -4.687 5.568 -1.759) 7.487 8.118 ( 4.687 5.568 1.759) 7.487 8.156 ( 12.300 4.875 -10.634) 16.975 8.156 ( -12.300 4.875 10.634) 16.975 8.261 ( -0.530 4.287 -12.240) 12.980 8.261 ( 0.530 4.287 12.240) 12.980 8.571 ( 4.288 -3.740 -3.580) 6.722 8.571 ( -4.288 -3.740 3.580) 6.722 8.768 ( -8.054 -7.638 -9.276) 14.465 8.768 ( 8.054 -7.638 9.276) 14.465 16.684 ( 0.362 -1.055 -1.005) 1.502 16.684 ( -0.362 -1.055 1.005) 1.502 16.749 ( -0.617 -1.141 -0.867) 1.560 16.749 ( 0.617 -1.141 0.867) 1.560 17.496 ( -0.114 1.513 -0.148) 1.525 17.496 ( 0.114 1.513 0.148) 1.525 17.818 ( -0.143 0.554 -0.602) 0.830 17.818 ( 0.143 0.554 0.602) 0.830 22.349 ( -0.038 0.039 -0.019) 0.058 22.349 ( 0.038 0.039 0.019) 0.058 22.533 ( -0.373 -0.102 -0.338) 0.513 22.533 ( 0.373 -0.102 0.338) 0.513 27.287 ( 0.040 0.056 -0.550) 0.554 27.287 ( -0.040 0.056 0.550) 0.554 27.290 ( -0.539 -0.090 -0.487) 0.732 27.290 ( 0.539 -0.090 0.487) 0.732 36.829 ( -0.422 2.513 -1.570) 2.994 36.829 ( 0.422 2.513 1.570) 2.994 37.509 ( -1.106 -2.428 -3.087) 4.080 37.509 ( 1.106 -2.428 3.087) 4.080 38.102 ( 1.961 -0.186 -1.916) 2.748 38.102 ( -1.961 -0.186 1.916) 2.748 39.136 ( 3.389 0.270 -3.064) 4.577 39.136 ( -3.389 0.270 3.064) 4.577 =================== 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 3/28800 10.0 1124.422 719.677 983.068 0.000 -81.086 0.000 3/28800 20.0 131.999 81.182 125.610 0.000 -36.433 0.000 3/28800 30.0 39.019 23.965 37.843 0.000 -11.722 0.000 3/28800 40.0 18.517 11.589 17.861 0.000 -5.459 0.000 3/28800 50.0 11.198 7.127 10.733 0.000 -3.184 0.000 3/28800 60.0 7.804 5.034 7.440 0.000 -2.139 0.000 3/28800 70.0 5.954 3.882 5.649 0.000 -1.582 0.000 3/28800 80.0 4.825 3.176 4.558 0.000 -1.250 0.000 3/28800 90.0 4.078 2.706 3.836 0.000 -1.036 0.000 3/28800 100.0 3.550 2.373 3.326 0.000 -0.888 0.000 3/28800 110.0 3.158 2.123 2.947 0.000 -0.781 0.000 3/28800 120.0 2.854 1.929 2.654 0.000 -0.699 0.000 3/28800 130.0 2.611 1.773 2.419 0.000 -0.634 0.000 3/28800 140.0 2.411 1.644 2.226 0.000 -0.582 0.000 3/28800 150.0 2.244 1.535 2.064 0.000 -0.539 0.000 3/28800 160.0 2.101 1.441 1.926 0.000 -0.502 0.000 3/28800 170.0 1.978 1.359 1.807 0.000 -0.470 0.000 3/28800 180.0 1.870 1.287 1.703 0.000 -0.443 0.000 3/28800 190.0 1.774 1.222 1.611 0.000 -0.418 0.000 3/28800 200.0 1.688 1.165 1.528 0.000 -0.397 0.000 3/28800 210.0 1.612 1.113 1.455 0.000 -0.377 0.000 3/28800 220.0 1.542 1.065 1.388 0.000 -0.360 0.000 3/28800 230.0 1.479 1.022 1.328 0.000 -0.344 0.000 3/28800 240.0 1.421 0.982 1.273 0.000 -0.329 0.000 3/28800 250.0 1.368 0.946 1.222 0.000 -0.316 0.000 3/28800 260.0 1.319 0.912 1.176 0.000 -0.304 0.000 3/28800 270.0 1.273 0.880 1.133 0.000 -0.292 0.000 3/28800 280.0 1.231 0.851 1.094 0.000 -0.282 0.000 3/28800 290.0 1.192 0.824 1.057 0.000 -0.272 0.000 3/28800 300.0 1.155 0.799 1.023 0.000 -0.263 0.000 3/28800 310.0 1.121 0.775 0.991 0.000 -0.254 0.000 3/28800 320.0 1.089 0.752 0.962 0.000 -0.246 0.000 3/28800 330.0 1.059 0.731 0.934 0.000 -0.239 0.000 3/28800 340.0 1.030 0.712 0.908 0.000 -0.232 0.000 3/28800 350.0 1.003 0.693 0.883 0.000 -0.225 0.000 3/28800 360.0 0.978 0.675 0.860 0.000 -0.219 0.000 3/28800 370.0 0.953 0.659 0.839 0.000 -0.213 0.000 3/28800 380.0 0.931 0.643 0.818 0.000 -0.207 0.000 3/28800 390.0 0.909 0.628 0.799 0.000 -0.202 0.000 3/28800 400.0 0.888 0.613 0.780 0.000 -0.197 0.000 3/28800 410.0 0.868 0.600 0.763 0.000 -0.192 0.000 3/28800 420.0 0.850 0.587 0.746 0.000 -0.187 0.000 3/28800 430.0 0.832 0.574 0.730 0.000 -0.183 0.000 3/28800 440.0 0.815 0.563 0.715 0.000 -0.178 0.000 3/28800 450.0 0.798 0.551 0.701 0.000 -0.174 0.000 3/28800 460.0 0.782 0.540 0.687 0.000 -0.171 0.000 3/28800 470.0 0.767 0.530 0.674 0.000 -0.167 0.000 3/28800 480.0 0.753 0.520 0.662 0.000 -0.163 0.000 3/28800 490.0 0.739 0.511 0.650 0.000 -0.160 0.000 3/28800 500.0 0.726 0.501 0.638 0.000 -0.157 0.000 3/28800 510.0 0.713 0.493 0.627 0.000 -0.153 0.000 3/28800 520.0 0.700 0.484 0.616 0.000 -0.150 0.000 3/28800 530.0 0.689 0.476 0.606 0.000 -0.147 0.000 3/28800 540.0 0.677 0.468 0.596 0.000 -0.145 0.000 3/28800 550.0 0.666 0.460 0.587 0.000 -0.142 0.000 3/28800 560.0 0.655 0.453 0.578 0.000 -0.139 0.000 3/28800 570.0 0.645 0.446 0.569 0.000 -0.137 0.000 3/28800 580.0 0.635 0.439 0.560 0.000 -0.134 0.000 3/28800 590.0 0.625 0.432 0.552 0.000 -0.132 0.000 3/28800 600.0 0.616 0.426 0.544 0.000 -0.130 0.000 3/28800 610.0 0.607 0.420 0.536 0.000 -0.128 0.000 3/28800 620.0 0.598 0.414 0.529 0.000 -0.125 0.000 3/28800 630.0 0.589 0.408 0.522 0.000 -0.123 0.000 3/28800 640.0 0.581 0.402 0.515 0.000 -0.121 0.000 3/28800 650.0 0.573 0.397 0.508 0.000 -0.119 0.000 3/28800 660.0 0.565 0.391 0.501 0.000 -0.118 0.000 3/28800 670.0 0.558 0.386 0.495 0.000 -0.116 0.000 3/28800 680.0 0.550 0.381 0.489 0.000 -0.114 0.000 3/28800 690.0 0.543 0.376 0.483 0.000 -0.112 0.000 3/28800 700.0 0.536 0.372 0.477 0.000 -0.111 0.000 3/28800 710.0 0.529 0.367 0.471 0.000 -0.109 0.000 3/28800 720.0 0.523 0.362 0.466 0.000 -0.107 0.000 3/28800 730.0 0.516 0.358 0.460 0.000 -0.106 0.000 3/28800 740.0 0.510 0.354 0.455 0.000 -0.104 0.000 3/28800 750.0 0.504 0.350 0.450 0.000 -0.103 0.000 3/28800 760.0 0.498 0.346 0.445 0.000 -0.102 0.000 3/28800 770.0 0.492 0.342 0.440 0.000 -0.100 0.000 3/28800 780.0 0.487 0.338 0.435 0.000 -0.099 0.000 3/28800 790.0 0.481 0.334 0.430 0.000 -0.098 0.000 3/28800 800.0 0.476 0.330 0.426 0.000 -0.096 0.000 3/28800 810.0 0.470 0.327 0.421 0.000 -0.095 0.000 3/28800 820.0 0.465 0.323 0.417 0.000 -0.094 0.000 3/28800 830.0 0.460 0.320 0.413 0.000 -0.093 0.000 3/28800 840.0 0.455 0.316 0.409 0.000 -0.091 0.000 3/28800 850.0 0.451 0.313 0.405 0.000 -0.090 0.000 3/28800 860.0 0.446 0.310 0.401 0.000 -0.089 0.000 3/28800 870.0 0.441 0.307 0.397 0.000 -0.088 0.000 3/28800 880.0 0.437 0.304 0.393 0.000 -0.087 0.000 3/28800 890.0 0.432 0.301 0.389 0.000 -0.086 0.000 3/28800 900.0 0.428 0.298 0.386 0.000 -0.085 0.000 3/28800 910.0 0.424 0.295 0.382 0.000 -0.084 0.000 3/28800 920.0 0.420 0.292 0.379 0.000 -0.083 0.000 3/28800 930.0 0.416 0.289 0.375 0.000 -0.082 0.000 3/28800 940.0 0.412 0.287 0.372 0.000 -0.081 0.000 3/28800 950.0 0.408 0.284 0.369 0.000 -0.080 0.000 3/28800 960.0 0.404 0.281 0.365 0.000 -0.080 0.000 3/28800 970.0 0.400 0.279 0.362 0.000 -0.079 0.000 3/28800 980.0 0.397 0.276 0.359 0.000 -0.078 0.000 3/28800 990.0 0.393 0.274 0.356 0.000 -0.077 0.000 3/28800 1000.0 0.389 0.271 0.353 0.000 -0.076 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m1058.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:50:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|